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](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000270423105	379450432	/nfs/dbraw/zinc/45/04/32/379450432.db2.gz	GIGKKNHTJAQLMB-QMMMGPOBSA-N	-2	0	342.333	-0.177	20	0		EBADRL
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000270545725	379457334	/nfs/dbraw/zinc/45/73/34/379457334.db2.gz	YVPVSLXTEPPGIJ-YFKPBYRVSA-N	-2	0	328.306	-0.423	20	0		EBADRL
COC(=O)c1csc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274893333	379720787	/nfs/dbraw/zinc/72/07/87/379720787.db2.gz	GKMLLRKHOKLXNM-ZCFIWIBFSA-N	-2	0	337.331	-0.259	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275048461	379734728	/nfs/dbraw/zinc/73/47/28/379734728.db2.gz	WTMVZTXKBVCBBY-LURJTMIESA-N	-2	0	329.290	-0.323	20	0		EBADRL
COC(=O)c1c(C)cccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000614313064	379920180	/nfs/dbraw/zinc/92/01/80/379920180.db2.gz	NJBABSZOONQWIY-MRVPVSSYSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000547549633	380143269	/nfs/dbraw/zinc/14/32/69/380143269.db2.gz	BEUFJSLBRNNMFQ-HRDYMLBCSA-N	-2	0	337.350	-0.435	20	0		EBADRL
COCCOc1ccccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547557152	380143545	/nfs/dbraw/zinc/14/35/45/380143545.db2.gz	ISQIGDAXDRZAGV-SECBINFHSA-N	-2	0	347.345	-0.082	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000322353119	380377292	/nfs/dbraw/zinc/37/72/92/380377292.db2.gz	AEDQXSBFAHPFBV-QMMMGPOBSA-N	-2	0	344.301	-0.776	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)CSCC(=O)[O-])s1	ZINC000565832867	380434944	/nfs/dbraw/zinc/43/49/44/380434944.db2.gz	TZSVNRYPIXTEMM-UHFFFAOYSA-N	-2	0	326.381	-0.334	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000275009233	380567790	/nfs/dbraw/zinc/56/77/90/380567790.db2.gz	POOXKWNZJXODKI-UHFFFAOYSA-N	-2	0	331.302	-0.382	20	0		EBADRL
CC(C)(NC(=O)CNS(=O)(=O)c1ccccc1F)c1nnn[n-]1	ZINC000573565931	380677627	/nfs/dbraw/zinc/67/76/27/380677627.db2.gz	FYWACFUSYJORLM-UHFFFAOYSA-N	-2	0	342.356	-0.331	20	0		EBADRL
CC(=O)Nc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000574162753	380703158	/nfs/dbraw/zinc/70/31/58/380703158.db2.gz	QKLCJFUSFSBDNV-RXMQYKEDSA-N	-2	0	337.335	-0.692	20	0		EBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000261612924	154194156	/nfs/dbraw/zinc/19/41/56/154194156.db2.gz	AOLHKWIANJTBSK-LURJTMIESA-N	-2	0	340.317	-0.469	20	0		EBADRL
COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000264883741	154298094	/nfs/dbraw/zinc/29/80/94/154298094.db2.gz	XEHYSGAPFHFYAD-UHFFFAOYSA-N	-2	0	342.333	-0.106	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-]	ZINC000274936959	154629914	/nfs/dbraw/zinc/62/99/14/154629914.db2.gz	QCHWDNFPBHNCCK-LURJTMIESA-N	-2	0	345.255	-0.348	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275182948	154641310	/nfs/dbraw/zinc/64/13/10/154641310.db2.gz	KULRBGLLWJPFNV-ZETCQYMHSA-N	-2	0	341.292	-0.256	20	0		EBADRL
C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000296918602	155079706	/nfs/dbraw/zinc/07/97/06/155079706.db2.gz	KOKDVJZTRVHZMW-FBCQKBJTSA-N	-2	0	335.725	-0.012	20	0		EBADRL
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275070925	420817351	/nfs/dbraw/zinc/81/73/51/420817351.db2.gz	GYLRNVOJFZEYBJ-BDAKNGLRSA-N	-2	0	331.350	-0.177	20	0		EBADRL
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275070931	420818355	/nfs/dbraw/zinc/81/83/55/420818355.db2.gz	GYLRNVOJFZEYBJ-IUCAKERBSA-N	-2	0	331.350	-0.177	20	0		EBADRL
O=C([O-])C1CCC(NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CC1	ZINC000424397439	265061157	/nfs/dbraw/zinc/06/11/57/265061157.db2.gz	KBGKWEAOIDIYML-RTBKNWGFSA-N	-2	0	348.377	-0.477	20	0		EBADRL
NC(=O)c1cccc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1	ZINC000278561090	303347664	/nfs/dbraw/zinc/34/76/64/303347664.db2.gz	BLPVXVGXHHASOS-SNVBAGLBSA-N	-2	0	344.345	-0.228	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-]	ZINC000271100021	546266622	/nfs/dbraw/zinc/26/66/22/546266622.db2.gz	XUIIQVOOPAGSGG-UHFFFAOYSA-N	-2	0	341.349	-0.311	20	0		EBADRL
COc1ncc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1Cl	ZINC000650413591	582548403	/nfs/dbraw/zinc/54/84/03/582548403.db2.gz	JILHINCVZGYDDK-UHFFFAOYSA-N	-2	0	338.725	-0.097	20	0		EBADRL
COCC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C(C)C	ZINC000737734378	582602232	/nfs/dbraw/zinc/60/22/32/582602232.db2.gz	YHHRPLQEISGILJ-NSHDSACASA-N	-2	0	338.382	-0.916	20	0		EBADRL
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000738225441	582824960	/nfs/dbraw/zinc/82/49/60/582824960.db2.gz	ZIDNADJPCBHFEJ-CBAPKCEASA-N	-2	0	334.325	-0.946	20	0		EBADRL
CCOCCOCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737177488	582995859	/nfs/dbraw/zinc/99/58/59/582995859.db2.gz	OTTUFBCHNYNNRI-UHFFFAOYSA-N	-2	0	338.382	-0.803	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc2c1COC2=O	ZINC000776645013	583407623	/nfs/dbraw/zinc/40/76/23/583407623.db2.gz	IMIVEYBICVQZKY-UHFFFAOYSA-N	-2	0	329.286	-0.483	20	0		EBADRL
CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550603	583832853	/nfs/dbraw/zinc/83/28/53/583832853.db2.gz	VCGTVNZIWNUXTE-GXFFZTMASA-N	-2	0	347.393	-0.557	20	0		EBADRL
C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000824867185	583851540	/nfs/dbraw/zinc/85/15/40/583851540.db2.gz	BMBYIQXKKHLRTJ-SSDOTTSWSA-N	-2	0	346.365	-0.825	20	0		EBADRL
C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000825064834	583854767	/nfs/dbraw/zinc/85/47/67/583854767.db2.gz	GNUXODUJXCMLNI-DTWKUNHWSA-N	-2	0	349.409	-0.265	20	0		EBADRL
C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1	ZINC000825414905	583860503	/nfs/dbraw/zinc/86/05/03/583860503.db2.gz	BTJKILBMJGHAER-ZETCQYMHSA-N	-2	0	333.308	-0.217	20	0		EBADRL
CNC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CCC1	ZINC000828526511	583941699	/nfs/dbraw/zinc/94/16/99/583941699.db2.gz	PMYCAMICKMEDIJ-MRVPVSSYSA-N	-2	0	333.366	-0.899	20	0		EBADRL
COCCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000829018822	583950046	/nfs/dbraw/zinc/95/00/46/583950046.db2.gz	WFSXJYMJDYDBSI-MRVPVSSYSA-N	-2	0	326.396	-0.436	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-]	ZINC000829833075	583958921	/nfs/dbraw/zinc/95/89/21/583958921.db2.gz	WHNXFYNFSRFFAE-DTWKUNHWSA-N	-2	0	336.366	-0.514	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000830857822	583971616	/nfs/dbraw/zinc/97/16/16/583971616.db2.gz	WRANOIQDBKPVGW-LBPRGKRZSA-N	-2	0	348.356	-0.066	20	0		EBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1	ZINC000831000729	583974173	/nfs/dbraw/zinc/97/41/73/583974173.db2.gz	LLRHZNZHRWIYKU-UHFFFAOYSA-N	-2	0	345.362	-0.415	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)CCCn2cccn2)C1	ZINC000831428671	583982541	/nfs/dbraw/zinc/98/25/41/583982541.db2.gz	JNXQHEAVIPBAPN-SNVBAGLBSA-N	-2	0	330.366	-0.138	20	0		EBADRL
Cc1nn2c(SCCc3cn(CC(=O)[O-])nn3)n[n-]c2nc1=O	ZINC000833021778	584003102	/nfs/dbraw/zinc/00/31/02/584003102.db2.gz	SXUMRENQFTWFGP-UHFFFAOYSA-N	-2	0	336.337	-0.868	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CC[C@@H]1CCN(C(=O)[O-])C1	ZINC000833883286	584018710	/nfs/dbraw/zinc/01/87/10/584018710.db2.gz	HPTUNSFZKLGUPY-SNVBAGLBSA-N	-2	0	337.398	-0.294	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833883769	584018812	/nfs/dbraw/zinc/01/88/12/584018812.db2.gz	SBVWAARAHNKNTH-JTQLQIEISA-N	-2	0	349.409	-0.294	20	0		EBADRL
Cn1cnc(S(=O)(=O)NCC(=O)OC2CCN(C(=O)[O-])CC2)c1	ZINC000833958463	584021265	/nfs/dbraw/zinc/02/12/65/584021265.db2.gz	HRBXNZHIVMXVNF-UHFFFAOYSA-N	-2	0	346.365	-0.616	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000834136118	584026719	/nfs/dbraw/zinc/02/67/19/584026719.db2.gz	PXIXQFGLXHYOBM-BQBZGAKWSA-N	-2	0	330.309	-0.097	20	0		EBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cncn1	ZINC000852956049	584222192	/nfs/dbraw/zinc/22/21/92/584222192.db2.gz	FOPVYQQCHCQACM-VXNVDRBHSA-N	-2	0	349.269	-0.599	20	0		EBADRL
O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000853062699	584222915	/nfs/dbraw/zinc/22/29/15/584222915.db2.gz	SKODTLRQOHTBSU-MRVPVSSYSA-N	-2	0	345.329	-0.045	20	0		EBADRL
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1	ZINC000863951917	584380649	/nfs/dbraw/zinc/38/06/49/584380649.db2.gz	XIUOYDKZTIFGHA-UHFFFAOYSA-N	-2	0	330.318	-0.449	20	0		EBADRL
COC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863954583	584380850	/nfs/dbraw/zinc/38/08/50/584380850.db2.gz	GGPRIXGEGBLQDV-UHFFFAOYSA-N	-2	0	331.302	-0.617	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC000863956191	584381164	/nfs/dbraw/zinc/38/11/64/584381164.db2.gz	KOPSMWACRLCDBC-UHFFFAOYSA-N	-2	0	332.334	-0.498	20	0		EBADRL
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863961236	584381697	/nfs/dbraw/zinc/38/16/97/584381697.db2.gz	IKQBMEPGJQFKNW-QMMMGPOBSA-N	-2	0	341.407	-0.018	20	0		EBADRL
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000863962299	584381708	/nfs/dbraw/zinc/38/17/08/584381708.db2.gz	YHNNITDBCBXUFH-UHFFFAOYSA-N	-2	0	345.329	-0.227	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2	ZINC000863966311	584382321	/nfs/dbraw/zinc/38/23/21/584382321.db2.gz	WFZGRNZKFPPKMF-UHFFFAOYSA-N	-2	0	329.330	-0.236	20	0		EBADRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739545941	599728139	/nfs/dbraw/zinc/72/81/39/599728139.db2.gz	CEHQQUCSAILEDO-ZJUUUORDSA-N	-2	0	337.317	-0.812	20	0		EBADRL
NC(=O)Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1	ZINC000320103511	600673435	/nfs/dbraw/zinc/67/34/35/600673435.db2.gz	WAFMJDLWCGWTSZ-UHFFFAOYSA-N	-2	0	338.345	-0.204	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)cn1	ZINC000391644727	600673911	/nfs/dbraw/zinc/67/39/11/600673911.db2.gz	MDRJTCQLYOPICW-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738963645	602510763	/nfs/dbraw/zinc/51/07/63/602510763.db2.gz	DDCJQOKQLIFCLC-NXEZZACHSA-N	-2	0	348.363	-0.034	20	0		EBADRL
C[C@@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738963648	602510798	/nfs/dbraw/zinc/51/07/98/602510798.db2.gz	DDCJQOKQLIFCLC-ZJUUUORDSA-N	-2	0	348.363	-0.034	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1	ZINC000740664676	602687057	/nfs/dbraw/zinc/68/70/57/602687057.db2.gz	IXTCCYRJGZVBGJ-UHFFFAOYSA-N	-2	0	337.741	-0.176	20	0		EBADRL
O=C([O-])N1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C(=O)C1	ZINC000740369952	603000252	/nfs/dbraw/zinc/00/02/52/603000252.db2.gz	XAXXXXRANCIHBL-UHFFFAOYSA-N	-2	0	345.319	-0.373	20	0		EBADRL
CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738774711	603124647	/nfs/dbraw/zinc/12/46/47/603124647.db2.gz	YLDXMPQRMCCCRX-CQSZACIVSA-N	-2	0	336.352	-0.130	20	0		EBADRL
O=C(CN1CCN(C(=O)[O-])CC1=O)[N-]S(=O)(=O)C1CCCCC1	ZINC000740368984	603145450	/nfs/dbraw/zinc/14/54/50/603145450.db2.gz	PBDTTZAVDJCHIW-UHFFFAOYSA-N	-2	0	347.393	-0.413	20	0		EBADRL
CCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000064940107	649964344	/nfs/dbraw/zinc/96/43/44/649964344.db2.gz	DOCVRTYICCZIMY-UHFFFAOYSA-N	-3	0	331.306	-0.405	20	0		EBADRL
Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])sc1C(=O)[O-]	ZINC000917722160	650284456	/nfs/dbraw/zinc/28/44/56/650284456.db2.gz	RWMXVBDAHQLTED-UHFFFAOYSA-N	-2	0	336.347	-0.766	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H](C)C2CN(Cc3nc(=O)n(C)[nH]3)C2)c1[O-]	ZINC000969506126	725186455	/nfs/dbraw/zinc/18/64/55/725186455.db2.gz	MXQHPSRBIDUKFX-ZETCQYMHSA-N	-2	0	335.368	-0.904	20	0		EBADRL
CCc1nc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1)CNC2	ZINC001218416243	810489913	/nfs/dbraw/zinc/48/99/13/810489913.db2.gz	GPQDLOVCOGCQLO-KSBSHMNSSA-N	-2	0	339.304	-0.916	20	0		EBADRL
Cn1nnc2cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21	ZINC001223036101	811678264	/nfs/dbraw/zinc/67/82/64/811678264.db2.gz	CULNEVZYLQJZAD-SNVBAGLBSA-N	-2	0	331.221	-0.518	20	0		EBADRL
COC(=O)Cc1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001223482806	811709222	/nfs/dbraw/zinc/70/92/22/811709222.db2.gz	PTXDQZSQNDQUIR-LLVKDONJSA-N	-2	0	348.244	-0.085	20	0		EBADRL
COc1cc(OC)nc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001223762951	811728014	/nfs/dbraw/zinc/72/80/14/811728014.db2.gz	VKYWQLIRCOFDEM-ZCFIWIBFSA-N	-2	0	338.209	-0.993	20	0		EBADRL
COc1cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C)n1	ZINC001224117172	811745696	/nfs/dbraw/zinc/74/56/96/811745696.db2.gz	LZPNUWBIMLSVCN-JOYOIKCWSA-N	-2	0	327.289	-0.022	20	0		EBADRL
COC(=O)c1cncc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001226323463	811859464	/nfs/dbraw/zinc/85/94/64/811859464.db2.gz	WMSSCPLNBJJJFI-WPRPVWTQSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2c1CCC2)[C@H](O)C(=O)[O-]	ZINC001226343516	811861137	/nfs/dbraw/zinc/86/11/37/811861137.db2.gz	XRWQVSSZGTXMPO-RCOVLWMOSA-N	-2	0	326.261	-0.887	20	0		EBADRL
CC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1O	ZINC001226483659	811867169	/nfs/dbraw/zinc/86/71/69/811867169.db2.gz	XWCZOIHQNLOQQC-HQJQHLMTSA-N	-2	0	342.256	-0.258	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1OCCO2)[C@@H](O)C(=O)[O-]	ZINC001226627409	811874703	/nfs/dbraw/zinc/87/47/03/811874703.db2.gz	HPNNTPCNEJCCNY-RDDDGLTNSA-N	-2	0	326.257	-0.100	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1OCCO2)[C@H](O)C(=O)[O-]	ZINC001226627408	811875207	/nfs/dbraw/zinc/87/52/07/811875207.db2.gz	HPNNTPCNEJCCNY-HQJQHLMTSA-N	-2	0	326.257	-0.100	20	0		EBADRL
O=C(Oc1nc2ncnc-2c(S)[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226781522	811884456	/nfs/dbraw/zinc/88/44/56/811884456.db2.gz	ICLMKOPZDBKJTA-GSVOUGTGSA-N	-3	0	336.222	-0.983	20	0		EBADRL
COC(=O)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226948064	811892310	/nfs/dbraw/zinc/89/23/10/811892310.db2.gz	CPSCFZHGMMODJF-QUBYGPBYSA-N	-2	0	327.245	-0.690	20	0		EBADRL
CCc1cnc(=S)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227064961	811901916	/nfs/dbraw/zinc/90/19/16/811901916.db2.gz	XRTOTOZKAXSWFG-POYBYMJQSA-N	-2	0	330.318	-0.231	20	0		EBADRL
NC(=O)Nc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001227200874	811910166	/nfs/dbraw/zinc/91/01/66/811910166.db2.gz	XLGXVEWKNIIVKS-SCZZXKLOSA-N	-2	0	326.261	-0.381	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cnc(C(F)(F)F)nc1)[C@H](O)C(=O)[O-]	ZINC001227961301	811952704	/nfs/dbraw/zinc/95/27/04/811952704.db2.gz	DJDGSAKHBYRELU-FSPLSTOPSA-N	-2	0	338.194	-0.063	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(-c2ccncc2)n1)[C@H](O)C(=O)[O-]	ZINC001228700126	811993977	/nfs/dbraw/zinc/99/39/77/811993977.db2.gz	ODBRTOVGYKATJE-CBAPKCEASA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cn2nc(Cl)ccc2n1)[C@H](O)C(=O)[O-]	ZINC001228840384	811999244	/nfs/dbraw/zinc/99/92/44/811999244.db2.gz	LABZWMPHVYBPIA-FWOIEVBISA-N	-2	0	343.679	-0.176	20	0		EBADRL
CSc1nc(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228913615	812006427	/nfs/dbraw/zinc/00/64/27/812006427.db2.gz	UKGLCECHSMWKGU-IMTBSYHQSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CCOC(=O)c1cnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc1	ZINC001229857230	812059240	/nfs/dbraw/zinc/05/92/40/812059240.db2.gz	QVVYGFSTEZZNCB-SSDOTTSWSA-N	-2	0	336.193	-0.971	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F	ZINC001229890626	812060338	/nfs/dbraw/zinc/06/03/38/812060338.db2.gz	BGGNGMSMSRPSGF-XVKPBYJWSA-N	-2	0	329.236	-0.634	20	0		EBADRL
O=C(Oc1cc2c(cc1O)C=NCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001230921631	812256681	/nfs/dbraw/zinc/25/66/81/812256681.db2.gz	QABBXUIULVYITI-SNVBAGLBSA-N	-2	0	331.217	-0.257	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2n[nH]cc21)[C@H](O)C(=O)[O-]	ZINC001231048688	812267326	/nfs/dbraw/zinc/26/73/26/812267326.db2.gz	RCUYQLFIMOEYCA-DZSWIPIPSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(cc[nH]c2=O)c1)[C@H](O)C(=O)[O-]	ZINC001233725579	812336939	/nfs/dbraw/zinc/33/69/39/812336939.db2.gz	OYNWHMBETCEEEE-JQWIXIFHSA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2cncn2)cc1)[C@H](O)C(=O)[O-]	ZINC001233920535	812369344	/nfs/dbraw/zinc/36/93/44/812369344.db2.gz	HMKUIVRCUDJNKB-PWSUYJOCSA-N	-2	0	335.272	-0.291	20	0		EBADRL
COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001234353367	812414862	/nfs/dbraw/zinc/41/48/62/812414862.db2.gz	ZJVYCZDZWPBXLL-BYPYZUCNSA-N	-2	0	331.233	-0.966	20	0		EBADRL
CC(=O)c1c(O)cc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234666831	812447792	/nfs/dbraw/zinc/44/77/92/812447792.db2.gz	CIQYTWHJVMRLRD-RDDDGLTNSA-N	-2	0	341.272	-0.260	20	0		EBADRL
CO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC001304258810	821763401	/nfs/dbraw/zinc/76/34/01/821763401.db2.gz	OSXFIRNYBZXZPX-UHFFFAOYSA-N	-2	0	331.350	-0.950	20	0		EBADRL
COC(=O)[C@H](CCC(=O)[O-])[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-]	ZINC001180175977	833052305	/nfs/dbraw/zinc/05/23/05/833052305.db2.gz	GNZWLOWLQWNPRM-BYPYZUCNSA-N	-3	0	333.190	-0.136	20	0		EBADRL
CCOC(=O)c1sc(S(=O)(=O)[N-]CS(=O)(=O)[O-])nc1C	ZINC001184978125	833344696	/nfs/dbraw/zinc/34/46/96/833344696.db2.gz	OXBMKVNUDBCBAZ-UHFFFAOYSA-N	-2	0	344.392	-0.248	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)NCC[P@](=O)([O-])O)ccc1F	ZINC001186202512	833392160	/nfs/dbraw/zinc/39/21/60/833392160.db2.gz	OWCMOFYFJZBHTH-UHFFFAOYSA-N	-2	0	327.226	-0.020	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccc2c(=O)[nH][nH]c(=O)c2c1	ZINC001154319255	831326648	/nfs/dbraw/zinc/32/66/48/831326648.db2.gz	VFSAGNVVNLTRPE-UHFFFAOYSA-N	-2	0	329.205	-0.120	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1	ZINC001157795792	831594406	/nfs/dbraw/zinc/59/44/06/831594406.db2.gz	LGBGPVFVIGNVFD-UHFFFAOYSA-N	-2	0	325.283	-0.147	20	0		EBADRL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1ccn(C)c1CC(=O)[O-]	ZINC001177371058	832777972	/nfs/dbraw/zinc/77/79/72/832777972.db2.gz	VGRQRTODDDCYKD-VIFPVBQESA-N	-2	0	326.305	-0.212	20	0		EBADRL
CCNC(=O)CN(C)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189914174	834208609	/nfs/dbraw/zinc/20/86/09/834208609.db2.gz	JVTPJKPURBFGGV-UHFFFAOYSA-N	-2	0	344.345	-0.160	20	0		EBADRL
O=C(NCc1nnn[n-]1)c1cc(-n2ncc(=O)[n-]c2=O)ccc1Cl	ZINC001198002772	835629665	/nfs/dbraw/zinc/62/96/65/835629665.db2.gz	UADVQPPJLGHHBL-UHFFFAOYSA-N	-2	0	348.710	-0.570	20	0		EBADRL
CN1C(=O)c2ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc2C1=O	ZINC001610950916	970804758	/nfs/dbraw/zinc/80/47/58/970804758.db2.gz	ZYVWFGMXVXQATC-UHFFFAOYSA-N	-2	0	340.313	-0.418	20	0		EBADRL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O	ZINC001611334234	970997035	/nfs/dbraw/zinc/99/70/35/970997035.db2.gz	NMBGSXLHMBRJLG-NXEZZACHSA-N	-2	0	345.315	-0.333	20	0		EBADRL
CN(Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C(C)(C)C(N)=O	ZINC001570928647	948737311	/nfs/dbraw/zinc/73/73/11/948737311.db2.gz	AGJTTWPDHAMHQZ-UHFFFAOYSA-N	-2	0	331.340	-0.689	20	0		EBADRL
C[C@@H](NC(=O)[C@@H](C)n1cnc(-c2nnn[n-]2)n1)c1nn(C)cc1[O-]	ZINC001575250975	949122858	/nfs/dbraw/zinc/12/28/58/949122858.db2.gz	JOAMJGSLAZUWOV-RNFRBKRXSA-N	-2	0	332.328	-0.664	20	0		EBADRL
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000314828746	950829864	/nfs/dbraw/zinc/82/98/64/950829864.db2.gz	QHSVLRIZNZGGBY-JTQLQIEISA-N	-2	0	332.290	-0.226	20	0		EBADRL
O=C([O-])CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCOCC1	ZINC001595055461	951490675	/nfs/dbraw/zinc/49/06/75/951490675.db2.gz	ORSQOQPPAIWBJL-UHFFFAOYSA-N	-2	0	349.347	-0.447	20	0		EBADRL
Cn1cnnc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594559211	955792821	/nfs/dbraw/zinc/79/28/21/955792821.db2.gz	ATDUPJQUONZFSZ-APPZFPTMSA-N	-2	0	335.286	-0.089	20	0		EBADRL
O=C([O-])C=Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000392287910	972463552	/nfs/dbraw/zinc/46/35/52/972463552.db2.gz	NNQALZQRRLFQFE-UTCJRWHESA-N	-2	0	339.329	-0.018	20	0		EBADRL
O=C([O-])C=Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000392287911	972463974	/nfs/dbraw/zinc/46/39/74/972463974.db2.gz	NNQALZQRRLFQFE-ZZXKWVIFSA-N	-2	0	339.329	-0.018	20	0		EBADRL
O=C([O-])c1cnc(CNC(=O)CCCn2c(=O)[n-][nH]c2=O)s1	ZINC001571174348	962086585	/nfs/dbraw/zinc/08/65/85/962086585.db2.gz	RVLSDIQJRXHQPR-UHFFFAOYSA-N	-2	0	327.322	-0.059	20	0		EBADRL
C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC001571186683	962215741	/nfs/dbraw/zinc/21/57/41/962215741.db2.gz	TZFNYHFNXOHWMT-MRVPVSSYSA-N	-2	0	329.382	-0.390	20	0		EBADRL
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001603346067	972746652	/nfs/dbraw/zinc/74/66/52/972746652.db2.gz	DGXZTPBGMXYUGC-WRWORJQWSA-N	-2	0	337.254	-0.115	20	0		EBADRL
Cc1n[nH]nc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001605394388	973370758	/nfs/dbraw/zinc/37/07/58/973370758.db2.gz	JSSZCHPNPXUHDT-POYBYMJQSA-N	-2	0	349.269	-0.151	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	ZINC001603792418	974253898	/nfs/dbraw/zinc/25/38/98/974253898.db2.gz	SZBFVDOVJJPRIB-QMMMGPOBSA-N	-2	0	336.366	-0.514	20	0		EBADRL
C[C@@](CCF)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC001592497573	978299933	/nfs/dbraw/zinc/29/99/33/978299933.db2.gz	ANAMSOGREXVJHN-LBPRGKRZSA-N	-2	0	334.325	-0.028	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001596968389	986182859	/nfs/dbraw/zinc/18/28/59/986182859.db2.gz	KYHPFYFITZHJCR-QMMMGPOBSA-N	-2	0	326.313	-1.000	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O	ZINC001589453556	986863009	/nfs/dbraw/zinc/86/30/09/986863009.db2.gz	QHFJGMBBTXKYNX-DTWKUNHWSA-N	-2	0	331.350	-0.811	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sccc1-n1ccnn1	ZINC001589491175	987056839	/nfs/dbraw/zinc/05/68/39/987056839.db2.gz	ICQJIKQEDRHMKX-ZCFIWIBFSA-N	-2	0	330.347	-0.139	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1	ZINC001589491262	987057877	/nfs/dbraw/zinc/05/78/77/987057877.db2.gz	JLYJPBZWCPIYBH-ZETCQYMHSA-N	-2	0	325.306	-0.805	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1	ZINC001589492607	987063875	/nfs/dbraw/zinc/06/38/75/987063875.db2.gz	VUFLBTNOFGILDV-ZETCQYMHSA-N	-2	0	346.365	-0.574	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC001589494036	987069521	/nfs/dbraw/zinc/06/95/21/987069521.db2.gz	HXKJDONMXIQSHR-AMIZOPFISA-N	-2	0	332.378	-0.398	20	0		EBADRL
CCC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-]	ZINC001594696037	987119075	/nfs/dbraw/zinc/11/90/75/987119075.db2.gz	OKIGHWSSZGSWAF-VIFPVBQESA-N	-2	0	332.334	-0.176	20	0		EBADRL
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2	ZINC001599881517	989490763	/nfs/dbraw/zinc/49/07/63/989490763.db2.gz	IVHVQLKXGPDHRY-DVYJOKAKSA-N	-2	0	332.378	-0.177	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CC1OCCO1)C(=O)[O-]	ZINC001590840885	990709886	/nfs/dbraw/zinc/70/98/86/990709886.db2.gz	VFIIBSCPQOINFH-LURJTMIESA-N	-2	0	342.270	-0.224	20	0		EBADRL
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001591019222	991302787	/nfs/dbraw/zinc/30/27/87/991302787.db2.gz	IHYGBYUSWQITIR-NSHDSACASA-N	-2	0	343.361	-0.633	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)cn1	ZINC001599761276	992125159	/nfs/dbraw/zinc/12/51/59/992125159.db2.gz	UZXKLCWXBNHQRI-CYBMUJFWSA-N	-2	0	343.361	-0.183	20	0		EBADRL
CN1C(=O)COc2ccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc21	ZINC001598552642	993021636	/nfs/dbraw/zinc/02/16/36/993021636.db2.gz	DGMXAOZTZUWXBO-UHFFFAOYSA-N	-2	0	342.329	-0.424	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O	ZINC001598552923	993024723	/nfs/dbraw/zinc/02/47/23/993024723.db2.gz	OYIOMMNMKLGORN-UHFFFAOYSA-N	-2	0	349.271	-0.250	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)C1=O	ZINC001598553604	993030745	/nfs/dbraw/zinc/03/07/45/993030745.db2.gz	VZJZNGIFWAGGSV-UHFFFAOYSA-N	-2	0	327.318	-0.599	20	0		EBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1	ZINC001598650326	994432576	/nfs/dbraw/zinc/43/25/76/994432576.db2.gz	CHBVCVCTCOXLDO-UHFFFAOYSA-N	-2	0	339.333	-0.477	20	0		EBADRL
CNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)co1	ZINC001598673530	994800015	/nfs/dbraw/zinc/80/00/15/994800015.db2.gz	SHILBFUZFGDGIN-NSHDSACASA-N	-2	0	334.375	-0.122	20	0		EBADRL
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001598687251	995014930	/nfs/dbraw/zinc/01/49/30/995014930.db2.gz	GWOQMVOEENTVBG-JFGCWXGISA-N	-2	0	333.362	-0.115	20	0		EBADRL
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001598875873	996762458	/nfs/dbraw/zinc/76/24/58/996762458.db2.gz	HLGPOBFQZRDPIV-UHFFFAOYSA-N	-2	0	330.318	-0.112	20	0		EBADRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O	ZINC001599385589	996938521	/nfs/dbraw/zinc/93/85/21/996938521.db2.gz	PTIGWVCMROYFIA-UHFFFAOYSA-N	-2	0	349.346	-0.458	20	0		EBADRL
COCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC001599305774	997310437	/nfs/dbraw/zinc/31/04/37/997310437.db2.gz	PHQBLHALNBGYJB-UHFFFAOYSA-N	-2	0	343.317	-0.024	20	0		EBADRL
COCCN(CC(=O)[O-])C(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[n-]1	ZINC001599234136	997916101	/nfs/dbraw/zinc/91/61/01/997916101.db2.gz	ARKRFQVNNUDQNK-UHFFFAOYSA-N	-2	0	349.347	-0.254	20	0		EBADRL
CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001599140404	998118882	/nfs/dbraw/zinc/11/88/82/998118882.db2.gz	RNOOECQNEXMRBP-NXEZZACHSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccn1	ZINC001599355394	998169989	/nfs/dbraw/zinc/16/99/89/998169989.db2.gz	QYQKOBQBFOIPPH-UHFFFAOYSA-N	-2	0	343.361	-0.139	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])oc1Cl	ZINC001598954132	998209150	/nfs/dbraw/zinc/20/91/50/998209150.db2.gz	YRVXGXIFTNCBHP-YFKPBYRVSA-N	-2	0	341.725	-0.167	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@]2(CC(=O)[O-])CCOC2)on1	ZINC001598954558	998216841	/nfs/dbraw/zinc/21/68/41/998216841.db2.gz	YJXASTPBECHVGZ-NSHDSACASA-N	-2	0	334.306	-0.627	20	0		EBADRL
COCCn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)n1	ZINC001599271590	998552499	/nfs/dbraw/zinc/55/24/99/998552499.db2.gz	NETJLDZKWVEYKD-UHFFFAOYSA-N	-2	0	333.366	-0.238	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)OC	ZINC001599166977	998556512	/nfs/dbraw/zinc/55/65/12/998556512.db2.gz	SQHNFQQLUZZDQU-GMTAPVOTSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001599167901	998569285	/nfs/dbraw/zinc/56/92/85/998569285.db2.gz	WCCXYNCIJKEYSF-VXGBXAGGSA-N	-2	0	335.316	-0.078	20	0		EBADRL
C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001594294775	999133983	/nfs/dbraw/zinc/13/39/83/999133983.db2.gz	ANPWYECZLNGPMO-BDAKNGLRSA-N	-2	0	331.350	-0.159	20	0		EBADRL
C[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC001594432247	999608355	/nfs/dbraw/zinc/60/83/55/999608355.db2.gz	QWJAZPWBSYWCEF-SCZZXKLOSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000287050432	290869510	/nfs/dbraw/zinc/86/95/10/290869510.db2.gz	ACGMDUBBAUHACS-ZETCQYMHSA-N	-2	0	325.339	-0.577	20	0		EBADRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC000562321710	376949795	/nfs/dbraw/zinc/94/97/95/376949795.db2.gz	NFCZPOJPNRRBTA-ZDUSSCGKSA-N	-2	0	343.361	-0.231	20	0		EBADRL
C[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274937929	379725067	/nfs/dbraw/zinc/72/50/67/379725067.db2.gz	QHWLUOOLMOFQEX-RXMQYKEDSA-N	-2	0	328.306	-0.565	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-]	ZINC000274982325	379729990	/nfs/dbraw/zinc/72/99/90/379729990.db2.gz	LQRMOIGDZBKDBS-QMMMGPOBSA-N	-2	0	342.329	-0.365	20	0		EBADRL
COc1cncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000281746521	380038023	/nfs/dbraw/zinc/03/80/23/380038023.db2.gz	FILQZEQBIRCDNH-GHMZBOCLSA-N	-2	0	344.345	-0.114	20	0		EBADRL
C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000547886785	380168544	/nfs/dbraw/zinc/16/85/44/380168544.db2.gz	HTWANEDXBHCHEW-BQBZGAKWSA-N	-2	0	332.300	-0.210	20	0		EBADRL
COC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000548203526	380189085	/nfs/dbraw/zinc/18/90/85/380189085.db2.gz	JBZYHNKGZAZUHD-SECBINFHSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn1	ZINC000548242866	380193354	/nfs/dbraw/zinc/19/33/54/380193354.db2.gz	XRSAOFZIJDYDIC-QMMMGPOBSA-N	-2	0	346.317	-0.536	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@H]1C(=O)[O-]	ZINC000548249690	380193848	/nfs/dbraw/zinc/19/38/48/380193848.db2.gz	DHIWKRZEIDMBBM-HBNTYKKESA-N	-2	0	335.378	-0.007	20	0		EBADRL
CN1CCc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000548527852	380211948	/nfs/dbraw/zinc/21/19/48/380211948.db2.gz	IKQZPXSPUGHMFI-SNVBAGLBSA-N	-2	0	328.346	-0.115	20	0		EBADRL
CC(C)(CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000577040658	380797340	/nfs/dbraw/zinc/79/73/40/380797340.db2.gz	DNGZLOQGASMVAA-UHFFFAOYSA-N	-2	0	342.333	-0.032	20	0		EBADRL
C[C@](O)(CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000262567592	154238231	/nfs/dbraw/zinc/23/82/31/154238231.db2.gz	YFMDBEMVUUZOPI-LBPRGKRZSA-N	-2	0	334.325	-0.237	20	0		EBADRL
Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C(=O)[O-])C(C)C)cn1C	ZINC000262931329	154251615	/nfs/dbraw/zinc/25/16/15/154251615.db2.gz	XPQRNEWKGRQEHO-LBPRGKRZSA-N	-2	0	346.409	-0.378	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-]	ZINC000264471543	154282011	/nfs/dbraw/zinc/28/20/11/154282011.db2.gz	JDWFCAKFGROHNX-VIFPVBQESA-N	-2	0	328.302	-0.613	20	0		EBADRL
Cn1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000275148520	154641491	/nfs/dbraw/zinc/64/14/91/154641491.db2.gz	YDACGWNXWIKEND-YFKPBYRVSA-N	-2	0	325.730	-0.330	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000656510409	420897781	/nfs/dbraw/zinc/89/77/81/420897781.db2.gz	LXSARKBZHPZWPW-SNVBAGLBSA-N	-2	0	344.345	-0.310	20	0		EBADRL
Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000663132018	421125545	/nfs/dbraw/zinc/12/55/45/421125545.db2.gz	UQSNCLWDLRTTOZ-CQSZACIVSA-N	-2	0	334.288	-0.282	20	0		EBADRL
O=C([O-])[C@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CCS1(=O)=O	ZINC000424380895	265058111	/nfs/dbraw/zinc/05/81/11/265058111.db2.gz	LTLFQZGTSBWHPM-SNVBAGLBSA-N	-2	0	340.361	-0.509	20	0		EBADRL
CCCc1nc(=NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s[n-]1	ZINC000424391323	265059282	/nfs/dbraw/zinc/05/92/82/265059282.db2.gz	QCDBSFHAZTZNCX-SSDOTTSWSA-N	-2	0	348.406	-0.372	20	0		EBADRL
CS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)c(F)c1	ZINC000425208779	265085301	/nfs/dbraw/zinc/08/53/01/265085301.db2.gz	PVMMVLDMQMIEHT-NXEZZACHSA-N	-2	0	338.382	-0.001	20	0		EBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1	ZINC000433513717	265191866	/nfs/dbraw/zinc/19/18/66/265191866.db2.gz	UEMNPHCYABTOMP-UHFFFAOYSA-N	-2	0	340.317	-0.427	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000596031330	545802484	/nfs/dbraw/zinc/80/24/84/545802484.db2.gz	DPLTWDLPXQERIJ-LURJTMIESA-N	-2	0	335.290	-0.419	20	0		EBADRL
Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000676215293	546198256	/nfs/dbraw/zinc/19/82/56/546198256.db2.gz	WLPBNHKTWXCFOU-QMMMGPOBSA-N	-2	0	334.288	-0.330	20	0		EBADRL
CCc1nn(C)c(CC)c1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000681555781	546307077	/nfs/dbraw/zinc/30/70/77/546307077.db2.gz	IEWAXJJUIJXMHJ-QMMMGPOBSA-N	-2	0	333.366	-0.249	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C[C@H]1C(=O)[O-]	ZINC000681590728	546307816	/nfs/dbraw/zinc/30/78/16/546307816.db2.gz	OXPSMXQOMHZPMX-HBNTYKKESA-N	-2	0	335.378	-0.007	20	0		EBADRL
CN(C)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000684562181	546372963	/nfs/dbraw/zinc/37/29/63/546372963.db2.gz	PVNJJWLSNYISJU-NSHDSACASA-N	-2	0	330.362	-0.295	20	0		EBADRL
COc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc(OC)c1OC	ZINC000737849633	582831305	/nfs/dbraw/zinc/83/13/05/582831305.db2.gz	RUYKBHQUAYZWIC-UHFFFAOYSA-N	-2	0	333.318	-0.143	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000731048477	582834233	/nfs/dbraw/zinc/83/42/33/582834233.db2.gz	LHMGBSYTQGVNIV-JTQLQIEISA-N	-2	0	345.329	-0.012	20	0		EBADRL
COCCS(=O)(=O)[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC000737825969	582856751	/nfs/dbraw/zinc/85/67/51/582856751.db2.gz	OSBQKVGAOLVNNX-UHFFFAOYSA-N	-2	0	346.361	-0.141	20	0		EBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])s1	ZINC000736155508	582923233	/nfs/dbraw/zinc/92/32/33/582923233.db2.gz	GQLLXGBPEVAOKX-RKDXNWHRSA-N	-2	0	346.386	-0.090	20	0		EBADRL
CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000736376189	582932008	/nfs/dbraw/zinc/93/20/08/582932008.db2.gz	RXNGRKWSELFBQY-QMMMGPOBSA-N	-2	0	349.390	-0.056	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000737134867	582991931	/nfs/dbraw/zinc/99/19/31/582991931.db2.gz	FXNFGFHZNQCOQF-HLTSFMKQSA-N	-2	0	334.350	-0.904	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)CCNC(=O)[O-]	ZINC000737136550	582992016	/nfs/dbraw/zinc/99/20/16/582992016.db2.gz	VGRDTSCBAKDJIX-QMMMGPOBSA-N	-2	0	337.354	-0.967	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1C(=O)[O-]	ZINC000776428419	583404013	/nfs/dbraw/zinc/40/40/13/583404013.db2.gz	YYQOCCFRNRDLNC-UHFFFAOYSA-N	-3	0	328.306	-0.044	20	0		EBADRL
COc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cnc1Cl	ZINC000776442929	583404436	/nfs/dbraw/zinc/40/44/36/583404436.db2.gz	AQWBYQDVWVPULK-LURJTMIESA-N	-2	0	338.725	-0.050	20	0		EBADRL
COc1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cnc1Cl	ZINC000776645309	583407604	/nfs/dbraw/zinc/40/76/04/583407604.db2.gz	MGQMUDDXKAYKTO-UHFFFAOYSA-N	-2	0	338.725	-0.097	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000797301766	583599992	/nfs/dbraw/zinc/59/99/92/583599992.db2.gz	XHLBVRGUILGPOI-YFKPBYRVSA-N	-2	0	348.299	-0.549	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000815948594	583713362	/nfs/dbraw/zinc/71/33/62/583713362.db2.gz	ORXQTCKIIWKQPB-YUMQZZPRSA-N	-2	0	346.327	-0.076	20	0		EBADRL
CCS(=O)(=O)[N-]c1ccccc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820281738	583770410	/nfs/dbraw/zinc/77/04/10/583770410.db2.gz	FZGONKKMZFLNDU-UHFFFAOYSA-N	-2	0	327.322	-0.165	20	0		EBADRL
O=C([N-]S(=O)(=O)Cc1ccon1)c1ccc(-c2nn[nH]n2)nc1	ZINC000823285675	583827696	/nfs/dbraw/zinc/82/76/96/583827696.db2.gz	YTTCPETXUVOFBT-UHFFFAOYSA-N	-2	0	335.305	-0.491	20	0		EBADRL
CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823579052	583834294	/nfs/dbraw/zinc/83/42/94/583834294.db2.gz	DJGAZKADQKYXKD-LLVKDONJSA-N	-2	0	349.409	-0.119	20	0		EBADRL
C[C@@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1	ZINC000823701221	583835891	/nfs/dbraw/zinc/83/58/91/583835891.db2.gz	BHHQLSDNZLQWRY-SCZZXKLOSA-N	-2	0	330.366	-0.278	20	0		EBADRL
CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000824231128	583842717	/nfs/dbraw/zinc/84/27/17/583842717.db2.gz	FFQPBRBRTYJYRP-JTQLQIEISA-N	-2	0	349.409	-0.263	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cnn(C)c1	ZINC000826007927	583873716	/nfs/dbraw/zinc/87/37/16/583873716.db2.gz	CYFMNRPUPZOQSU-VIFPVBQESA-N	-2	0	344.393	-0.319	20	0		EBADRL
CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000827024898	583914187	/nfs/dbraw/zinc/91/41/87/583914187.db2.gz	MGJBLGNTDYOWHL-JTQLQIEISA-N	-2	0	349.409	-0.167	20	0		EBADRL
COc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000829537314	583954115	/nfs/dbraw/zinc/95/41/15/583954115.db2.gz	KDJSQMDKPCATFK-QMMMGPOBSA-N	-2	0	329.334	-0.098	20	0		EBADRL
CN(C(C)(C)C(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000830543182	583967598	/nfs/dbraw/zinc/96/75/98/583967598.db2.gz	WZMAXYGVGZGTTM-UHFFFAOYSA-N	-2	0	342.333	-0.080	20	0		EBADRL
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000830999286	583973850	/nfs/dbraw/zinc/97/38/50/583973850.db2.gz	HJUDIZYPVPRMRU-ZMWSMAPVSA-N	-2	0	328.350	-0.368	20	0		EBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1	ZINC000831000320	583973883	/nfs/dbraw/zinc/97/38/83/583973883.db2.gz	BWLGPZSGBJOZAN-UHFFFAOYSA-N	-2	0	345.362	-0.415	20	0		EBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000831415025	583982584	/nfs/dbraw/zinc/98/25/84/583982584.db2.gz	VQFQAZOHNKCNSY-RKDXNWHRSA-N	-2	0	338.407	-0.293	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H](NC(=O)[O-])C(C)C	ZINC000831767821	583991453	/nfs/dbraw/zinc/99/14/53/583991453.db2.gz	SWJPRRQOQCLZQM-SECBINFHSA-N	-2	0	326.371	-0.612	20	0		EBADRL
Cn1[n-]nnc1=NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1	ZINC000833062829	584003965	/nfs/dbraw/zinc/00/39/65/584003965.db2.gz	FIMVTGYUFAAFPR-UHFFFAOYSA-N	-2	0	325.350	-0.757	20	0		EBADRL
O=C([O-])c1ccsc1N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O	ZINC000833130699	584006396	/nfs/dbraw/zinc/00/63/96/584006396.db2.gz	DUUJWLVKWHGZGA-LURJTMIESA-N	-2	0	337.317	-0.195	20	0		EBADRL
CCn1c(=O)c2ccc(C(=O)NC[C@H](O)C(=O)[O-])cc2[n-]c1=S	ZINC000833683243	584013610	/nfs/dbraw/zinc/01/36/10/584013610.db2.gz	GOIUHFXPKXBXLT-JTQLQIEISA-N	-2	0	337.357	-0.120	20	0		EBADRL
O=C([O-])N1CCc2cc(NC(=O)C(=O)NCc3n[nH]c(=O)[n-]3)ccc21	ZINC000834049538	584025271	/nfs/dbraw/zinc/02/52/71/584025271.db2.gz	PIVHRPWIIOURGO-UHFFFAOYSA-N	-2	0	346.303	-0.194	20	0		EBADRL
O=C([O-])Nc1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)cn1	ZINC000834276983	584030504	/nfs/dbraw/zinc/03/05/04/584030504.db2.gz	DGYJQKLEYGUPPB-ZETCQYMHSA-N	-2	0	330.322	-0.195	20	0		EBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn[nH]n1	ZINC000851701157	584200861	/nfs/dbraw/zinc/20/08/61/584200861.db2.gz	FSIDCXYRSXNTKU-VDTYLAMSSA-N	-2	0	335.242	-0.459	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863953622	584380756	/nfs/dbraw/zinc/38/07/56/584380756.db2.gz	XZHSIXJZFBGJBI-UHFFFAOYSA-N	-2	0	337.331	-0.559	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863954222	584380868	/nfs/dbraw/zinc/38/08/68/584380868.db2.gz	RNMYKGTXHOUFSG-UHFFFAOYSA-N	-2	0	331.302	-0.621	20	0		EBADRL
COCCOc1cccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863961899	584381686	/nfs/dbraw/zinc/38/16/86/584381686.db2.gz	SIYLQVIQRRITCC-UHFFFAOYSA-N	-2	0	347.345	-0.382	20	0		EBADRL
O=C([N-]CC(F)(F)CO)C(F)(F)C(=O)[N-]CC(F)(F)CO	ZINC000865977742	584397617	/nfs/dbraw/zinc/39/76/17/584397617.db2.gz	SYFJGAXMKDOUMU-UHFFFAOYSA-N	-2	0	326.193	-0.891	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)CN1C(=O)CSc2ccccc21	ZINC000739842630	600179595	/nfs/dbraw/zinc/17/95/95/600179595.db2.gz	MOKAPBKUHXRZJR-UHFFFAOYSA-N	-2	0	344.370	-0.344	20	0		EBADRL
O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740316016	600377327	/nfs/dbraw/zinc/37/73/27/600377327.db2.gz	KYOFZXWPXZQSMW-QWRGUYRKSA-N	-2	0	338.341	-0.502	20	0		EBADRL
NC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1	ZINC000739170794	600462560	/nfs/dbraw/zinc/46/25/60/600462560.db2.gz	QFNWGXFLISBEDM-UHFFFAOYSA-N	-2	0	343.361	-0.221	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cn1	ZINC000324896487	600675294	/nfs/dbraw/zinc/67/52/94/600675294.db2.gz	USTXNTPOPOONNM-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
CC(C)C[C@H](CNC(=O)[O-])NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738803979	602527751	/nfs/dbraw/zinc/52/77/51/602527751.db2.gz	GTDRUVFIWUMFJP-SECBINFHSA-N	-2	0	336.352	-0.130	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-]	ZINC000739792439	602622141	/nfs/dbraw/zinc/62/21/41/602622141.db2.gz	MWIRPUPBAWWLLG-UHFFFAOYSA-N	-2	0	336.347	-0.051	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])s1	ZINC000739181110	602686690	/nfs/dbraw/zinc/68/66/90/602686690.db2.gz	QHNCLIZKLRJOJW-UHFFFAOYSA-N	-2	0	335.363	-0.300	20	0		EBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1)C(=O)[O-]	ZINC000739394203	602867774	/nfs/dbraw/zinc/86/77/74/602867774.db2.gz	BHUHBAWHBHBQRF-UHFFFAOYSA-N	-2	0	335.363	-0.348	20	0		EBADRL
C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000738996178	603004433	/nfs/dbraw/zinc/00/44/33/603004433.db2.gz	XRTKHMAXPQTZEL-ZETCQYMHSA-N	-2	0	341.345	-0.567	20	0		EBADRL
C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@@H]1NC(=O)[O-]	ZINC000739138103	603343701	/nfs/dbraw/zinc/34/37/01/603343701.db2.gz	ROWFKEZLGUTZMI-SCZZXKLOSA-N	-2	0	334.336	-0.424	20	0		EBADRL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-]	ZINC000857842236	650041577	/nfs/dbraw/zinc/04/15/77/650041577.db2.gz	DQUHCHZXMYQJKU-QMMMGPOBSA-N	-2	0	333.318	-0.487	20	0		EBADRL
Cc1n[nH]c(C(=O)NC[C@@H]2CCN2C(=O)c2n[nH]c(C)c2[O-])c1[O-]	ZINC000949425431	653891367	/nfs/dbraw/zinc/89/13/67/653891367.db2.gz	IVXBMUYOLFYTEX-QMMMGPOBSA-N	-2	0	334.336	-0.195	20	0		EBADRL
O=C([O-])N(CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)C[C@@H]1CCCO1	ZINC000740491532	719420419	/nfs/dbraw/zinc/42/04/19/719420419.db2.gz	LZUXLSRYFQWAMY-UWVGGRQHSA-N	-2	0	340.340	-0.741	20	0		EBADRL
CCOc1ccc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)cc1C(=O)[O-]	ZINC000316016083	803765146	/nfs/dbraw/zinc/76/51/46/803765146.db2.gz	CLHUYOFPQWMHLN-SECBINFHSA-N	-2	0	330.318	-0.508	20	0		EBADRL
COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1	ZINC001223072974	811681101	/nfs/dbraw/zinc/68/11/01/811681101.db2.gz	QWAWFUGTPXCRQS-ADEWGFFLSA-N	-2	0	340.284	-0.020	20	0		EBADRL
COc1ccnc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1OC	ZINC001223100733	811683120	/nfs/dbraw/zinc/68/31/20/811683120.db2.gz	XEBGJUGBXSUKRA-WRWORJQWSA-N	-2	0	343.288	-0.322	20	0		EBADRL
CCOC(=O)/C=C(/COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])OCC	ZINC001225029627	811788891	/nfs/dbraw/zinc/78/88/91/811788891.db2.gz	UYYAMUYBQZXJNV-OWHYIGKESA-N	-2	0	348.304	-0.451	20	0		EBADRL
Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2c1NC(=O)C2	ZINC001225412451	811808905	/nfs/dbraw/zinc/80/89/05/811808905.db2.gz	XWZXJQRMLOPSLT-ZANVPECISA-N	-2	0	337.284	-0.069	20	0		EBADRL
Cc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC(=O)N2	ZINC001225510944	811815886	/nfs/dbraw/zinc/81/58/86/811815886.db2.gz	AWESBUXMIMQMHE-OQPBUACISA-N	-2	0	337.284	-0.069	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccnc(C(F)(F)F)n1)[C@@H](O)C(=O)[O-]	ZINC001225833210	811832121	/nfs/dbraw/zinc/83/21/21/811832121.db2.gz	ARBDYYWRUSOFLN-CLZZGJSISA-N	-2	0	338.194	-0.063	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1NC(=O)CO2)[C@@H](O)C(=O)[O-]	ZINC001226633825	811875100	/nfs/dbraw/zinc/87/51/00/811875100.db2.gz	KLJURQDGJNSRAX-PWCHPLFNSA-N	-2	0	339.256	-0.541	20	0		EBADRL
COC(=O)c1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226948062	811892373	/nfs/dbraw/zinc/89/23/73/811892373.db2.gz	CPSCFZHGMMODJF-LDWIPMOCSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(Br)ncn1)[C@H](O)C(=O)[O-]	ZINC001227036542	811899306	/nfs/dbraw/zinc/89/93/06/811899306.db2.gz	ICEMQOJWVBEASU-NVNXEXLPSA-N	-2	0	349.093	-0.319	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2nc[nH]c21)[C@@H](O)C(=O)[O-]	ZINC001227615759	811931319	/nfs/dbraw/zinc/93/13/19/811931319.db2.gz	FFQKRDYJMLNKJW-BBIVZNJYSA-N	-2	0	342.289	-0.917	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001227827284	811944116	/nfs/dbraw/zinc/94/41/16/811944116.db2.gz	YXWOFUSUSINTSV-SSDLBLMSSA-N	-2	0	343.244	-0.984	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(=O)cc[nH]c2c1)[C@@H](O)C(=O)[O-]	ZINC001227889000	811947649	/nfs/dbraw/zinc/94/76/49/811947649.db2.gz	KBMQJPBEKFAGAU-TVQRCGJNSA-N	-2	0	335.268	-0.030	20	0		EBADRL
COC(=O)Cc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228268725	811972933	/nfs/dbraw/zinc/97/29/33/811972933.db2.gz	LFDVPUABBPHFNS-TVQRCGJNSA-N	-2	0	340.284	-0.156	20	0		EBADRL
CN(C)C(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228343510	811975192	/nfs/dbraw/zinc/97/51/92/811975192.db2.gz	QUKKNZLKKHYWEX-SKDRFNHKSA-N	-2	0	339.300	-0.170	20	0		EBADRL
CCCOc1nnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1C	ZINC001228457440	811980896	/nfs/dbraw/zinc/98/08/96/811980896.db2.gz	QSTBSXAXGHJZKI-XPUUQOCRSA-N	-2	0	331.281	-0.954	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)c2c1CCCC2)[C@H](O)C(=O)[O-]	ZINC001229220865	812020469	/nfs/dbraw/zinc/02/04/69/812020469.db2.gz	KOOFVQAXCIEBGI-SCZZXKLOSA-N	-2	0	340.288	-0.497	20	0		EBADRL
CC(=O)Nc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229719176	812051764	/nfs/dbraw/zinc/05/17/64/812051764.db2.gz	AIYCCSGSLDXDCK-UFBFGSQYSA-N	-2	0	341.272	-0.208	20	0		EBADRL
COC(=O)c1cnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001230280148	812097544	/nfs/dbraw/zinc/09/75/44/812097544.db2.gz	MSXYKUJQJRBJHR-SECBINFHSA-N	-2	0	349.365	-0.836	20	0		EBADRL
CCOC(=O)c1ccnnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230911219	812255111	/nfs/dbraw/zinc/25/51/11/812255111.db2.gz	WSNYTGJUGIQNCH-VXNVDRBHSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C(Oc1nc[nH]c2cc(=O)ccc1-2)[C@H](O)COP(=O)([O-])[O-]	ZINC001231115307	812273928	/nfs/dbraw/zinc/27/39/28/812273928.db2.gz	GOTUJIHVLWJURO-SECBINFHSA-N	-2	0	330.189	-0.289	20	0		EBADRL
COc1ccc(C(N)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001231290719	812288997	/nfs/dbraw/zinc/28/89/97/812288997.db2.gz	RAUHWBQKEJJMSA-MRVPVSSYSA-N	-2	0	335.205	-0.830	20	0		EBADRL
CCn1nc(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C	ZINC001233660350	812327051	/nfs/dbraw/zinc/32/70/51/812327051.db2.gz	OVWVTGVADIFNJV-KCJUWKMLSA-N	-2	0	342.304	-0.144	20	0		EBADRL
COC(=O)c1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccn1C	ZINC001233787267	812345182	/nfs/dbraw/zinc/34/51/82/812345182.db2.gz	GQVKBRPOFQIRKJ-LHLIQPBNSA-N	-2	0	329.261	-0.747	20	0		EBADRL
CS(=O)(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001234544110	812438682	/nfs/dbraw/zinc/43/86/82/812438682.db2.gz	NRRAGRCDLYTUMH-KOLCDFICSA-N	-2	0	346.313	-0.468	20	0		EBADRL
Cn1ccc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)n1	ZINC001259944304	812818343	/nfs/dbraw/zinc/81/83/43/812818343.db2.gz	OQGNIUGRDMPAJH-UHFFFAOYSA-N	-2	0	342.358	-0.347	20	0		EBADRL
O=C1[N-]C(=O)[C@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)S1	ZINC001260177930	812827995	/nfs/dbraw/zinc/82/79/95/812827995.db2.gz	QFHPTRDGECVRMC-RXMQYKEDSA-N	-2	0	348.753	-0.635	20	0		EBADRL
O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3cn[nH]c3)ccc21	ZINC001260961355	812849392	/nfs/dbraw/zinc/84/93/92/812849392.db2.gz	UAJLHNMFUYDOEY-UHFFFAOYSA-N	-2	0	328.331	-0.357	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cnc2c(c1)NC(=O)CS2	ZINC001154636203	831355478	/nfs/dbraw/zinc/35/54/78/831355478.db2.gz	KQNKDKZNHWQXMQ-UHFFFAOYSA-N	-2	0	333.262	-0.035	20	0		EBADRL
O=P([O-])([O-])OCCNc1nc(Cl)nc2c1S(=O)(=O)CC2	ZINC001157795018	831592789	/nfs/dbraw/zinc/59/27/89/831592789.db2.gz	CMSLTWCPSDXVJH-UHFFFAOYSA-N	-2	0	343.685	-0.019	20	0		EBADRL
CC(=O)[N-]S(=O)(=O)c1ccc(NCC(=O)CCC(=O)[O-])nc1	ZINC001160875575	831903353	/nfs/dbraw/zinc/90/33/53/831903353.db2.gz	AHXJWXDPKFEECI-UHFFFAOYSA-N	-2	0	329.334	-0.248	20	0		EBADRL
C[C@@H]1C(=O)NCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189924560	834209017	/nfs/dbraw/zinc/20/90/17/834209017.db2.gz	ZZMTUPSKDGFFNH-SSDOTTSWSA-N	-2	0	342.329	-0.408	20	0		EBADRL
O=C([O-])c1cc(C(=O)N2CCCNC(=O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189923630	834209611	/nfs/dbraw/zinc/20/96/11/834209611.db2.gz	NIRYGBGUYNONEA-UHFFFAOYSA-N	-2	0	342.329	-0.406	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C(=O)[O-]	ZINC001602115042	971153656	/nfs/dbraw/zinc/15/36/56/971153656.db2.gz	HTOWGWQIHTXKFZ-APPZFPTMSA-N	-2	0	333.322	-0.949	20	0		EBADRL
C[C@@H]1C(=O)N(C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001575863400	949350496	/nfs/dbraw/zinc/35/04/96/949350496.db2.gz	CCXVBYGGRDHGDA-MRVPVSSYSA-N	-2	0	343.351	-0.723	20	0		EBADRL
COC(=O)[C@@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1	ZINC001570947385	949568683	/nfs/dbraw/zinc/56/86/83/949568683.db2.gz	YODCTOUILZOUOV-NSHDSACASA-N	-2	0	344.335	-0.344	20	0		EBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1nnc[nH]1	ZINC001594888364	954484918	/nfs/dbraw/zinc/48/49/18/954484918.db2.gz	CCOVJRZSPDPWOQ-HZGVNTEJSA-N	-2	0	349.269	-0.530	20	0		EBADRL
O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CCc3nnn[n-]3)CC2)C1	ZINC001594894924	954559165	/nfs/dbraw/zinc/55/91/65/954559165.db2.gz	CAVSNWKHBTXMRK-SECBINFHSA-N	-2	0	336.352	-0.944	20	0		EBADRL
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c([O-])c(F)c1	ZINC001594960021	955005282	/nfs/dbraw/zinc/00/52/82/955005282.db2.gz	MRGIKJJCIXSFGX-SECBINFHSA-N	-2	0	335.284	-0.006	20	0		EBADRL
Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c(Cl)n1	ZINC001594530495	955528820	/nfs/dbraw/zinc/52/88/20/955528820.db2.gz	XGZZABUWHQELBB-UHFFFAOYSA-N	-2	0	334.697	-0.122	20	0		EBADRL
COC(=O)c1c(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[nH]nc1OCCO	ZINC001593868143	955603557	/nfs/dbraw/zinc/60/35/57/955603557.db2.gz	SDYUYKKUEIHSIU-NKWVEPMBSA-N	-2	0	327.293	-0.383	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCSCC1	ZINC001593995836	956896640	/nfs/dbraw/zinc/89/66/40/956896640.db2.gz	XYWZDCZEEQHVDU-UHFFFAOYSA-N	-2	0	340.423	-0.476	20	0		EBADRL
O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001571216208	962500332	/nfs/dbraw/zinc/50/03/32/962500332.db2.gz	JCVRSOGMJHWDBX-JTQLQIEISA-N	-2	0	334.288	-0.808	20	0		EBADRL
O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1	ZINC001571216209	962500714	/nfs/dbraw/zinc/50/07/14/962500714.db2.gz	JCVRSOGMJHWDBX-SNVBAGLBSA-N	-2	0	334.288	-0.808	20	0		EBADRL
O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CO1	ZINC001574680690	962583379	/nfs/dbraw/zinc/58/33/79/962583379.db2.gz	CXLSTIXNHFDEFL-ZJUUUORDSA-N	-2	0	339.352	-0.720	20	0		EBADRL
CO[C@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001604464677	973339273	/nfs/dbraw/zinc/33/92/73/973339273.db2.gz	ZHQPMSQHUUUUSE-LBPRGKRZSA-N	-2	0	342.333	-0.737	20	0		EBADRL
Cn1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1	ZINC001605496369	973659297	/nfs/dbraw/zinc/65/92/97/973659297.db2.gz	BGHVJGIGYSDBPJ-BDAKNGLRSA-N	-2	0	335.286	-0.089	20	0		EBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCO3)n1	ZINC001606360575	973817960	/nfs/dbraw/zinc/81/79/60/973817960.db2.gz	NGMUBGJNWFZZEC-UHFFFAOYSA-N	-2	0	326.290	-0.108	20	0		EBADRL
Cn1nccc1S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001605571163	973834563	/nfs/dbraw/zinc/83/45/63/973834563.db2.gz	LTNKSPVLGYMHAI-UHFFFAOYSA-N	-2	0	331.350	-0.504	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001591861931	976158275	/nfs/dbraw/zinc/15/82/75/976158275.db2.gz	KYEZEZHHJTZHMF-ZETCQYMHSA-N	-3	0	348.299	-0.390	20	0		EBADRL
CC[C@@](COC)([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001595199457	979941195	/nfs/dbraw/zinc/94/11/95/979941195.db2.gz	HJSNDXXTSPDGAI-LBPRGKRZSA-N	-2	0	325.383	-0.015	20	0		EBADRL
CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CC1=O	ZINC001595897009	982944110	/nfs/dbraw/zinc/94/41/10/982944110.db2.gz	UODCSFWUHQMYCS-OPRDCNLKSA-N	-2	0	334.394	-0.200	20	0		EBADRL
CCCn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)nn1	ZINC001596112109	983440817	/nfs/dbraw/zinc/44/08/17/983440817.db2.gz	NMDZUUKNIRXCJJ-UHFFFAOYSA-N	-2	0	345.381	-0.541	20	0		EBADRL
CCN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001596445011	984146285	/nfs/dbraw/zinc/14/62/85/984146285.db2.gz	WPSYAARPULYQEG-SECBINFHSA-N	-2	0	346.361	-0.188	20	0		EBADRL
C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cc([O-])cc(F)c1)C(=O)[O-]	ZINC001599900495	984813119	/nfs/dbraw/zinc/81/31/19/984813119.db2.gz	UJUPMOJOXNFPBM-BQBZGAKWSA-N	-2	0	334.325	-0.213	20	0		EBADRL
CCOC(=O)c1cc(CS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])on1	ZINC001596706550	984909547	/nfs/dbraw/zinc/90/95/47/984909547.db2.gz	NIRRJFCRYYRVNT-UHFFFAOYSA-N	-2	0	342.276	-0.009	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)CC[C@H]1C(=O)[O-]	ZINC001599912026	984997533	/nfs/dbraw/zinc/99/75/33/984997533.db2.gz	CLFVVARXIUDFQR-VHSXEESVSA-N	-2	0	326.349	-0.073	20	0		EBADRL
CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC001589055697	985160143	/nfs/dbraw/zinc/16/01/43/985160143.db2.gz	GLXDBRMLPIEEGI-UHFFFAOYSA-N	-2	0	332.359	-0.271	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001589066682	985203540	/nfs/dbraw/zinc/20/35/40/985203540.db2.gz	SGYDMVFAMFPGGK-WDEREUQCSA-N	-2	0	346.405	-0.056	20	0		EBADRL
C[C@H]1OCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@@H]1C(=O)[O-]	ZINC001599936521	985402041	/nfs/dbraw/zinc/40/20/41/985402041.db2.gz	ULFAPQZNWUYCQS-XCBNKYQSSA-N	-2	0	332.334	-0.414	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1	ZINC001596968461	986183927	/nfs/dbraw/zinc/18/39/27/986183927.db2.gz	NUKKTXPSTLHPBI-UHFFFAOYSA-N	-2	0	349.343	-0.547	20	0		EBADRL
C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@@H]1C(=O)[O-]	ZINC001594561213	986314031	/nfs/dbraw/zinc/31/40/31/986314031.db2.gz	HTKIHZYZQLDHKS-WPRPVWTQSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])n1nnnc1C(C)(C)C	ZINC001589422040	986661314	/nfs/dbraw/zinc/66/13/14/986661314.db2.gz	ABMFMLFRZVJBNG-ZETCQYMHSA-N	-2	0	333.370	-0.548	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2	ZINC001589450718	986842068	/nfs/dbraw/zinc/84/20/68/986842068.db2.gz	FPAQJAQSQIVFSO-YUMQZZPRSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O	ZINC001589451941	986847424	/nfs/dbraw/zinc/84/74/24/986847424.db2.gz	KEQZSBXYQZWCLX-BDAKNGLRSA-N	-2	0	348.377	-0.529	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCn1cnccc1=O	ZINC001589453559	986862819	/nfs/dbraw/zinc/86/28/19/986862819.db2.gz	QHFJGMBBTXKYNX-RKDXNWHRSA-N	-2	0	331.350	-0.811	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2	ZINC001589454146	986874228	/nfs/dbraw/zinc/87/42/28/986874228.db2.gz	LZJWTVDQJDBDRP-JGVFFNPUSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])NC1=O	ZINC001594651207	986874459	/nfs/dbraw/zinc/87/44/59/986874459.db2.gz	PPDOGAVYSMYOCY-SSDOTTSWSA-N	-2	0	342.329	-0.060	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC001589454473	986879331	/nfs/dbraw/zinc/87/93/31/986879331.db2.gz	OCMPXTRWHBLCTN-BQBZGAKWSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1noc2c1COCC2	ZINC001589455047	986890044	/nfs/dbraw/zinc/89/00/44/986890044.db2.gz	UVSMDHXEVPDOMP-RNFRBKRXSA-N	-2	0	332.334	-0.084	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1	ZINC001589490331	987053026	/nfs/dbraw/zinc/05/30/26/987053026.db2.gz	AINOIWHCFMPJKQ-SSDOTTSWSA-N	-2	0	341.349	-0.647	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F	ZINC001589490692	987055541	/nfs/dbraw/zinc/05/55/41/987055541.db2.gz	DTVZAGFJYIONGU-BYPYZUCNSA-N	-2	0	329.256	-0.028	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1	ZINC001589492114	987062223	/nfs/dbraw/zinc/06/22/23/987062223.db2.gz	RKFLWGQSKGFCFC-SECBINFHSA-N	-2	0	338.345	-0.271	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC001589493006	987066905	/nfs/dbraw/zinc/06/69/05/987066905.db2.gz	BCOMLYSQSUFFLX-OIBJUYFYSA-N	-2	0	327.314	-0.313	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21	ZINC001589493052	987067572	/nfs/dbraw/zinc/06/75/72/987067572.db2.gz	BUAZIGUDCDEHKP-SECBINFHSA-N	-2	0	340.357	-0.115	20	0		EBADRL
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001590074212	989160114	/nfs/dbraw/zinc/16/01/14/989160114.db2.gz	ZYOZZCDFQPWFCT-MRVPVSSYSA-N	-2	0	336.366	-0.084	20	0		EBADRL
CC(C)(C)OC(=O)NC1(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CC1	ZINC001590125738	989364195	/nfs/dbraw/zinc/36/41/95/989364195.db2.gz	QSGZXUSMWQYMJQ-UHFFFAOYSA-N	-2	0	336.366	-0.036	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001590798422	990622284	/nfs/dbraw/zinc/62/22/84/990622284.db2.gz	WQIDSGSPSZNQLL-QMMMGPOBSA-N	-2	0	335.382	-0.666	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)cn1	ZINC001599761277	992125515	/nfs/dbraw/zinc/12/55/15/992125515.db2.gz	UZXKLCWXBNHQRI-ZDUSSCGKSA-N	-2	0	343.361	-0.183	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)NCCC(=O)NCCC(=O)[O-])cc1=O	ZINC001591504877	992648586	/nfs/dbraw/zinc/64/85/86/992648586.db2.gz	BQCIJNKEUITCHG-UHFFFAOYSA-N	-2	0	340.380	-0.528	20	0		EBADRL
CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC001591594394	992815883	/nfs/dbraw/zinc/81/58/83/992815883.db2.gz	YGIMOANYXSREKN-ZJUUUORDSA-N	-2	0	325.369	-0.100	20	0		EBADRL
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1=O	ZINC001598578639	993312083	/nfs/dbraw/zinc/31/20/83/993312083.db2.gz	JUSZBMDXTFLHSH-NSHDSACASA-N	-2	0	340.357	-0.191	20	0		EBADRL
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598688594	995029867	/nfs/dbraw/zinc/02/98/67/995029867.db2.gz	GUDOAMOLTDMCCA-BQBZGAKWSA-N	-2	0	332.334	-0.030	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC001598867479	996716578	/nfs/dbraw/zinc/71/65/78/996716578.db2.gz	CSQCJWZARRQXFL-SNVBAGLBSA-N	-2	0	345.329	-0.180	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC001598867916	996719657	/nfs/dbraw/zinc/71/96/57/996719657.db2.gz	KVKXPRDTTZWTKL-SECBINFHSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC1(CS(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)CCOCC1	ZINC001599094455	997252821	/nfs/dbraw/zinc/25/28/21/997252821.db2.gz	HWAYGXVFBVOGOX-UHFFFAOYSA-N	-2	0	333.366	-0.095	20	0		EBADRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N2CC(C(=O)[O-])C2)c1	ZINC001598924133	997624172	/nfs/dbraw/zinc/62/41/72/997624172.db2.gz	VBQBASYUERMLLP-UHFFFAOYSA-N	-2	0	343.313	-0.124	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2CCC([C@H](O)C(=O)[O-])CC2)n[nH]1	ZINC001598952719	998184646	/nfs/dbraw/zinc/18/46/46/998184646.db2.gz	QJHASXPGRKYWIZ-JTQLQIEISA-N	-2	0	347.349	-0.958	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1	ZINC001599251497	998239958	/nfs/dbraw/zinc/23/99/58/998239958.db2.gz	IYYXLKGEQBEVAK-UHFFFAOYSA-N	-2	0	332.334	-0.498	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])c(F)c1	ZINC001598987645	998708779	/nfs/dbraw/zinc/70/87/79/998708779.db2.gz	CVGCWTZYZKLSEW-GFCCVEGCSA-N	-2	0	335.309	-0.274	20	0		EBADRL
CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1)[C@@H]1CCOC1	ZINC001599060586	999262397	/nfs/dbraw/zinc/26/23/97/999262397.db2.gz	VHHKBAHILZAAFQ-HTQZYQBOSA-N	-2	0	334.354	-0.775	20	0		EBADRL
C[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC001594432249	999608339	/nfs/dbraw/zinc/60/83/39/999608339.db2.gz	QWJAZPWBSYWCEF-WPRPVWTQSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275087353	291225187	/nfs/dbraw/zinc/22/51/87/291225187.db2.gz	JSBXFLDRUPLISN-UFBFGSQYSA-N	-2	0	337.350	-0.623	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000148601635	377035541	/nfs/dbraw/zinc/03/55/41/377035541.db2.gz	CQRSKOHYEMJZMO-VIFPVBQESA-N	-2	0	331.302	-0.321	20	0		EBADRL
Cn1ncc(Cl)c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000569768838	377163068	/nfs/dbraw/zinc/16/30/68/377163068.db2.gz	AIVGCZSDWNWMRM-YFKPBYRVSA-N	-2	0	325.730	-0.473	20	0		EBADRL
CCC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274100043	379672689	/nfs/dbraw/zinc/67/26/89/379672689.db2.gz	SJOWGWVUGCWNKM-QMMMGPOBSA-N	-2	0	342.333	-0.032	20	0		EBADRL
CCOc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cn1	ZINC000274966781	379726839	/nfs/dbraw/zinc/72/68/39/379726839.db2.gz	JYZIYJRPEPSLTM-QMMMGPOBSA-N	-2	0	332.334	-0.066	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274955538	379727244	/nfs/dbraw/zinc/72/72/44/379727244.db2.gz	IMWPQRSXRGOJEH-VIFPVBQESA-N	-2	0	344.345	-0.500	20	0		EBADRL
CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000275068482	379734361	/nfs/dbraw/zinc/73/43/61/379734361.db2.gz	GQBXXUKHZQCEQC-VHSXEESVSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000275158787	379740640	/nfs/dbraw/zinc/74/06/40/379740640.db2.gz	ZUTHKYUYJSAPKL-ZETCQYMHSA-N	-2	0	335.290	-0.338	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000564199081	379959896	/nfs/dbraw/zinc/95/98/96/379959896.db2.gz	HNTJYFIMWUBUDR-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COCCn1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cn1	ZINC000539191921	379992853	/nfs/dbraw/zinc/99/28/53/379992853.db2.gz	HQXMUPXMEVWVOT-UHFFFAOYSA-N	-2	0	329.338	-0.238	20	0		EBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2cnc3n2CCC3)CC[C@@H]1C(=O)[O-]	ZINC000547601270	380149174	/nfs/dbraw/zinc/14/91/74/380149174.db2.gz	AWKWAMDCJJWQLP-IUCAKERBSA-N	-2	0	343.361	-0.375	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn1	ZINC000547555881	380143901	/nfs/dbraw/zinc/14/39/01/380143901.db2.gz	PMBRUBPRVHGGMF-MRVPVSSYSA-N	-2	0	332.290	-0.926	20	0		EBADRL
C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCN1C[C@@H](C(=O)[O-])CC1=O	ZINC000547886788	380168502	/nfs/dbraw/zinc/16/85/02/380168502.db2.gz	HTWANEDXBHCHEW-RQJHMYQMSA-N	-2	0	332.300	-0.210	20	0		EBADRL
COC(=O)[C@@H](C)CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547934391	380172969	/nfs/dbraw/zinc/17/29/69/380172969.db2.gz	BPWOQADFJGRZKH-CPCISQLKSA-N	-2	0	325.339	-0.720	20	0		EBADRL
COCCN(CCOC)C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000551593425	380267859	/nfs/dbraw/zinc/26/78/59/380267859.db2.gz	XJGXXXLIYFOCFO-QWRGUYRKSA-N	-2	0	332.353	-0.192	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000554703936	380352008	/nfs/dbraw/zinc/35/20/08/380352008.db2.gz	RGEWCWSVIYNHEI-SSDOTTSWSA-N	-2	0	331.302	-0.131	20	0		EBADRL
COC(=O)c1cccc(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274884367	380565492	/nfs/dbraw/zinc/56/54/92/380565492.db2.gz	DMDGMVQUNLVROK-JTQLQIEISA-N	-2	0	345.329	-0.180	20	0		EBADRL
Cn1c(=O)oc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21	ZINC000275004219	380567525	/nfs/dbraw/zinc/56/75/25/380567525.db2.gz	OPVRVNYZMHTLFI-UHFFFAOYSA-N	-2	0	344.301	-0.709	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cn1	ZINC000575238892	380736068	/nfs/dbraw/zinc/73/60/68/380736068.db2.gz	ZMTQMPXYYZBBHK-UHFFFAOYSA-N	-2	0	343.321	-0.711	20	0		EBADRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(N)=O)n1	ZINC000343825323	381012524	/nfs/dbraw/zinc/01/25/24/381012524.db2.gz	BUTTYYHXGOFKGN-UHFFFAOYSA-N	-2	0	328.306	-0.231	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000275080332	292004735	/nfs/dbraw/zinc/00/47/35/292004735.db2.gz	NEMBMMVPGCTGFT-ZETCQYMHSA-N	-2	0	349.317	-0.029	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000274997725	292020044	/nfs/dbraw/zinc/02/00/44/292020044.db2.gz	NOOYPWZLDHSJQY-UHFFFAOYSA-N	-2	0	331.302	-0.367	20	0		EBADRL
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC(=O)[O-])c1	ZINC000262651158	154243692	/nfs/dbraw/zinc/24/36/92/154243692.db2.gz	RWVUJMMXKUGLDI-UHFFFAOYSA-N	-2	0	329.334	-0.169	20	0		EBADRL
C[C@]1(c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)NC(=O)NC1=O	ZINC000262933513	154251312	/nfs/dbraw/zinc/25/13/12/154251312.db2.gz	KGENQGQWVSWARY-CVEARBPZSA-N	-2	0	347.327	-0.285	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)cc1C(=O)[O-]	ZINC000342772703	156058018	/nfs/dbraw/zinc/05/80/18/156058018.db2.gz	YRGZWZBZLRBUHL-UHFFFAOYSA-N	-2	0	327.322	-0.794	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000365269737	419247562	/nfs/dbraw/zinc/24/75/62/419247562.db2.gz	WTUSBCVULOXWAI-LURJTMIESA-N	-2	0	336.274	-0.443	20	0		EBADRL
COC1CCN(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])CC1	ZINC000656516240	420897986	/nfs/dbraw/zinc/89/79/86/420897986.db2.gz	VIZWTPIZAYKYPJ-SNVBAGLBSA-N	-2	0	338.382	-0.360	20	0		EBADRL
O=C([O-])[C@]12COC[C@H]1CN(C(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)C2	ZINC000659778208	421030587	/nfs/dbraw/zinc/03/05/87/421030587.db2.gz	CJRUIMPOOGGDPX-ANRSDYALSA-N	-2	0	346.299	-0.391	20	0		EBADRL
CC(C)(C)n1cnc(=NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[n-]1	ZINC000424379529	265058607	/nfs/dbraw/zinc/05/86/07/265058607.db2.gz	IGLPWWMUXGNTQT-MRVPVSSYSA-N	-2	0	345.381	-0.830	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000737714869	582685867	/nfs/dbraw/zinc/68/58/67/582685867.db2.gz	YFDHSKCAAQIJFZ-NXEZZACHSA-N	-2	0	327.314	-0.001	20	0		EBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000774620353	583387612	/nfs/dbraw/zinc/38/76/12/583387612.db2.gz	CHCZVACBBRSAGU-UHFFFAOYSA-N	-2	0	343.321	-0.263	20	0		EBADRL
Cn1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000776585514	583406626	/nfs/dbraw/zinc/40/66/26/583406626.db2.gz	UKYDBAUOYCFPLP-SNVBAGLBSA-N	-2	0	339.757	-0.083	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907812	583416063	/nfs/dbraw/zinc/41/60/63/583416063.db2.gz	BLPFKKYCBQUPRQ-SNVBAGLBSA-N	-2	0	331.350	-0.111	20	0		EBADRL
O=C([O-])[C@@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1	ZINC000819307215	583757199	/nfs/dbraw/zinc/75/71/99/583757199.db2.gz	NWHJJSIJACWJHM-NSHDSACASA-N	-2	0	349.368	-0.003	20	0		EBADRL
O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823284723	583827685	/nfs/dbraw/zinc/82/76/85/583827685.db2.gz	IYGGKMBLFPOYJM-UHFFFAOYSA-N	-2	0	344.378	-0.765	20	0		EBADRL
CC(C)(CNC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000823964728	583839420	/nfs/dbraw/zinc/83/94/20/583839420.db2.gz	KOPIQQGTDWRURL-UHFFFAOYSA-N	-2	0	349.390	-0.054	20	0		EBADRL
CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824169922	583842005	/nfs/dbraw/zinc/84/20/05/583842005.db2.gz	ALALFPYDPISJOO-SNVBAGLBSA-N	-2	0	349.409	-0.263	20	0		EBADRL
CC1(C)CN(C(=O)[O-])CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000825725284	583865747	/nfs/dbraw/zinc/86/57/47/583865747.db2.gz	ZCAXRXKYOPKCNF-UHFFFAOYSA-N	-2	0	334.336	-0.328	20	0		EBADRL
C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000827368511	583920151	/nfs/dbraw/zinc/92/01/51/583920151.db2.gz	DRPSDIKERGEVCP-SNVBAGLBSA-N	-2	0	348.363	-0.921	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)cn1	ZINC000827707659	583926754	/nfs/dbraw/zinc/92/67/54/583926754.db2.gz	WNYNLIFXLMTQDK-SECBINFHSA-N	-2	0	332.338	-0.913	20	0		EBADRL
COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000829644425	583955175	/nfs/dbraw/zinc/95/51/75/583955175.db2.gz	PYNQZOYREMWJJJ-JTQLQIEISA-N	-2	0	344.345	-0.121	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-]	ZINC000829833077	583958908	/nfs/dbraw/zinc/95/89/08/583958908.db2.gz	WHNXFYNFSRFFAE-IUCAKERBSA-N	-2	0	336.366	-0.514	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])cn1	ZINC000831013819	583974309	/nfs/dbraw/zinc/97/43/09/583974309.db2.gz	AQAYRVSZKCJYCY-VIFPVBQESA-N	-2	0	346.365	-0.616	20	0		EBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000831415023	583982619	/nfs/dbraw/zinc/98/26/19/583982619.db2.gz	VQFQAZOHNKCNSY-IUCAKERBSA-N	-2	0	338.407	-0.293	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)C1	ZINC000831567508	583985713	/nfs/dbraw/zinc/98/57/13/583985713.db2.gz	QLOHMCQQBFJMPW-VIFPVBQESA-N	-2	0	329.334	-0.953	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1	ZINC000831747932	583991179	/nfs/dbraw/zinc/99/11/79/583991179.db2.gz	OXMYCYKDARZVKE-VHSXEESVSA-N	-2	0	336.366	-0.620	20	0		EBADRL
CS(=O)(=O)CC1(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000832664648	584000265	/nfs/dbraw/zinc/00/02/65/584000265.db2.gz	KLGJJLQNCZTVOU-UHFFFAOYSA-N	-2	0	341.407	-0.488	20	0		EBADRL
O=C([O-])NCc1nnnn1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000832739719	584001769	/nfs/dbraw/zinc/00/17/69/584001769.db2.gz	ZFTWXHDCZGQFKI-UHFFFAOYSA-N	-2	0	337.321	-0.537	20	0		EBADRL
O=C(CC[C@@H]1CCOC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833097775	584005636	/nfs/dbraw/zinc/00/56/36/584005636.db2.gz	UMBPVRZKZDOHRZ-SNVBAGLBSA-N	-2	0	334.394	-0.039	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	ZINC000833590335	584012186	/nfs/dbraw/zinc/01/21/86/584012186.db2.gz	POBZSVBYBOIMTF-MWLCHTKSSA-N	-2	0	334.394	-0.041	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)c2cnc(NC(=O)[O-])cn2)cn1	ZINC000833951175	584020832	/nfs/dbraw/zinc/02/08/32/584020832.db2.gz	PSWBTCBFJSFLAQ-UHFFFAOYSA-N	-2	0	326.294	-0.581	20	0		EBADRL
O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000834047012	584025340	/nfs/dbraw/zinc/02/53/40/584025340.db2.gz	AZZTVRLHBXTFMJ-UHFFFAOYSA-N	-2	0	346.303	-0.194	20	0		EBADRL
O=C([O-])N1CCC2(C[C@H]2C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1	ZINC000834050986	584025449	/nfs/dbraw/zinc/02/54/49/584025449.db2.gz	NNZQNSCRUNEDFR-JTQLQIEISA-N	-2	0	347.393	-0.540	20	0		EBADRL
O=C([O-])N1CCOC[C@@H]1c1noc(Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC000834119965	584026528	/nfs/dbraw/zinc/02/65/28/584026528.db2.gz	SSYUMZNSIXYVAU-MRVPVSSYSA-N	-2	0	347.291	-0.446	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000834137116	584027028	/nfs/dbraw/zinc/02/70/28/584027028.db2.gz	ZVFKQAUGHRKJNM-BQBZGAKWSA-N	-2	0	330.309	-0.097	20	0		EBADRL
CS(=O)(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852736781	584215247	/nfs/dbraw/zinc/21/52/47/584215247.db2.gz	OJRYSHZEZPWHIL-JGVFFNPUSA-N	-2	0	346.327	-0.373	20	0		EBADRL
Cn1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C(=O)[O-]	ZINC000853061715	584222982	/nfs/dbraw/zinc/22/29/82/584222982.db2.gz	FKQLHQPJFWLAAU-QMMMGPOBSA-N	-2	0	332.334	-0.413	20	0		EBADRL
CC(C)(CO)O[N-]C(=O)[C@H]1CC[C@@H](C(=O)[N-]OC(C)(C)CO)O1	ZINC000854755329	584249279	/nfs/dbraw/zinc/24/92/79/584249279.db2.gz	ZWNAFMWJQDMSGC-AOOOYVTPSA-N	-2	0	334.369	-0.829	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)cc1C(N)=O	ZINC000863952762	584380819	/nfs/dbraw/zinc/38/08/19/584380819.db2.gz	GVTLEFSEGGDCGZ-ZDUSSCGKSA-N	-2	0	343.361	-0.570	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000863956956	584381080	/nfs/dbraw/zinc/38/10/80/584381080.db2.gz	WAWYWCHNKNDLMN-SECBINFHSA-N	-2	0	325.383	-0.158	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cn1	ZINC000863954983	584381109	/nfs/dbraw/zinc/38/11/09/584381109.db2.gz	VXHYINWHEXSJOU-QMMMGPOBSA-N	-2	0	329.334	-0.197	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC000863956217	584381142	/nfs/dbraw/zinc/38/11/42/584381142.db2.gz	KYMBYCIPLPTPQV-UHFFFAOYSA-N	-2	0	332.334	-0.498	20	0		EBADRL
COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863960403	584381538	/nfs/dbraw/zinc/38/15/38/584381538.db2.gz	OHKXNHGOISDCQU-UHFFFAOYSA-N	-2	0	345.329	-0.480	20	0		EBADRL
CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000863965048	584382174	/nfs/dbraw/zinc/38/21/74/584382174.db2.gz	DATNHKJJIZSKMS-LLVKDONJSA-N	-2	0	331.306	-0.921	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000863965503	584382191	/nfs/dbraw/zinc/38/21/91/584382191.db2.gz	YHCZWANUKQHLAJ-LLVKDONJSA-N	-2	0	337.394	-0.015	20	0		EBADRL
O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738481822	600173559	/nfs/dbraw/zinc/17/35/59/600173559.db2.gz	KLRULRUUBVQULB-LBPRGKRZSA-N	-2	0	341.327	-0.117	20	0		EBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000739932858	600377493	/nfs/dbraw/zinc/37/74/93/600377493.db2.gz	YLKQFWLRBCTGNE-UHFFFAOYSA-N	-2	0	327.318	-0.955	20	0		EBADRL
Cc1nn2c([n-]nc2SCc2noc(CCC(=O)[O-])n2)nc1=O	ZINC000738929253	600552122	/nfs/dbraw/zinc/55/21/22/600552122.db2.gz	ZHVUQLASZSTCSF-UHFFFAOYSA-N	-2	0	337.321	-0.186	20	0		EBADRL
O=C([O-])CNC(=O)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000392319640	601631823	/nfs/dbraw/zinc/63/18/23/601631823.db2.gz	MFIDIEMTTVIMDA-UHFFFAOYSA-N	-2	0	334.292	-0.354	20	0		EBADRL
O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000740538787	602500973	/nfs/dbraw/zinc/50/09/73/602500973.db2.gz	YXQUMEDVBCHLJM-NEPJUHHUSA-N	-2	0	346.347	-0.022	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-]	ZINC000739624989	602622950	/nfs/dbraw/zinc/62/29/50/602622950.db2.gz	DVKFLHMEMMMUAI-UHFFFAOYSA-N	-2	0	344.349	-0.730	20	0		EBADRL
C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@@H]1NC(=O)[O-]	ZINC000739138105	603343705	/nfs/dbraw/zinc/34/37/05/603343705.db2.gz	ROWFKEZLGUTZMI-WPRPVWTQSA-N	-2	0	334.336	-0.424	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-]	ZINC000322746372	649996162	/nfs/dbraw/zinc/99/61/62/649996162.db2.gz	WKONGCVQWBCBSW-VIFPVBQESA-N	-2	0	341.297	-0.001	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1[O-]	ZINC000941964252	653008587	/nfs/dbraw/zinc/00/85/87/653008587.db2.gz	PZLKYQSGAHHHRW-CBAPKCEASA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cc1n[nH]c(C(=O)NC[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001023315390	729662648	/nfs/dbraw/zinc/66/26/48/729662648.db2.gz	XODGCZSHHINQCX-VIFPVBQESA-N	-2	0	335.368	-0.111	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(F)c([O-])cc1F	ZINC001215570436	810336166	/nfs/dbraw/zinc/33/61/66/810336166.db2.gz	FPYDDZOPFKNGFB-UHFFFAOYSA-N	-2	0	349.275	-0.318	20	0		EBADRL
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2oc(=O)nc-2[n-]1	ZINC001015989622	810644338	/nfs/dbraw/zinc/64/43/38/810644338.db2.gz	ULJYUIPLDOMVLP-ZETCQYMHSA-N	-2	0	345.319	-0.244	20	0		EBADRL
COC(=O)c1ncccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001222747448	811658942	/nfs/dbraw/zinc/65/89/42/811658942.db2.gz	VCVOFDZBOMNBDM-GZMMTYOYSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223298727	811696335	/nfs/dbraw/zinc/69/63/35/811696335.db2.gz	QIZMOQKNFPCGAA-GZMMTYOYSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001223533788	811713139	/nfs/dbraw/zinc/71/31/39/811713139.db2.gz	VRSXVFYKTIHVMR-KWQFWETISA-N	-2	0	341.272	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(-n2nccn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001224188915	811749010	/nfs/dbraw/zinc/74/90/10/811749010.db2.gz	KIGUCTJBUORKSJ-WCQYABFASA-N	-2	0	349.299	-0.153	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001225518218	811816344	/nfs/dbraw/zinc/81/63/44/811816344.db2.gz	VDCCNXZDTASXLJ-SCZZXKLOSA-N	-3	0	348.285	-0.625	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001225766695	811828727	/nfs/dbraw/zinc/82/87/27/811828727.db2.gz	VEZWCBQKWWFVRX-GMSGAONNSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)c1cc(O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225973315	811840020	/nfs/dbraw/zinc/84/00/20/811840020.db2.gz	KFJASYSSORCACV-GZMMTYOYSA-N	-2	0	342.256	-0.379	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226227771	811854269	/nfs/dbraw/zinc/85/42/69/811854269.db2.gz	WVFGFQQQEMPZBT-NVNXEXLPSA-N	-2	0	340.210	-0.119	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc2ncnc-2c(S)[n-]1)[C@@H](O)C(=O)[O-]	ZINC001226785082	811884607	/nfs/dbraw/zinc/88/46/07/811884607.db2.gz	JMWVUJKUNTYTLW-AWFVSMACSA-N	-3	0	342.289	-0.917	20	0		EBADRL
Cn1c(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2ccccc21	ZINC001227094281	811903271	/nfs/dbraw/zinc/90/32/71/811903271.db2.gz	YQISEYDHXBZOOI-XPTSAGLGSA-N	-2	0	349.295	-0.020	20	0		EBADRL
COC(=O)c1c(O)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227152847	811908046	/nfs/dbraw/zinc/90/80/46/811908046.db2.gz	FFFRHGRBSAULFH-KGFZYKRKSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COc1cnnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Cl	ZINC001227256599	811913083	/nfs/dbraw/zinc/91/30/83/811913083.db2.gz	BAOIMANJRBMHDV-SCSAIBSYSA-N	-2	0	328.601	-0.486	20	0		EBADRL
COc1cnnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl	ZINC001227257814	811913402	/nfs/dbraw/zinc/91/34/02/811913402.db2.gz	LEDZXMUXDHXRCV-VHWMUFPASA-N	-2	0	334.668	-0.420	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cnc(Br)nc1)[C@@H](O)C(=O)[O-]	ZINC001227755888	811940018	/nfs/dbraw/zinc/94/00/18/811940018.db2.gz	KYNFHFAFJNGRTB-IYSWYEEDSA-N	-2	0	349.093	-0.319	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cnc(Br)nc1)[C@H](O)C(=O)[O-]	ZINC001227755890	811940134	/nfs/dbraw/zinc/94/01/34/811940134.db2.gz	KYNFHFAFJNGRTB-VDTYLAMSSA-N	-2	0	349.093	-0.319	20	0		EBADRL
C[C@@H]1OCc2c1nc(=O)[n-]c2OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227715759	811940147	/nfs/dbraw/zinc/94/01/47/811940147.db2.gz	GBENNCNNHNFTIT-PJPYAQQDSA-N	-3	0	342.260	-0.785	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(=O)cc[nH]c2c1)[C@H](O)C(=O)[O-]	ZINC001227888999	811948030	/nfs/dbraw/zinc/94/80/30/811948030.db2.gz	KBMQJPBEKFAGAU-RNCFNFMXSA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C(Oc1ccc2c(c1)CCNC2=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227918186	811949502	/nfs/dbraw/zinc/94/95/02/811949502.db2.gz	OUEKHGPUHSCMHV-SNVBAGLBSA-N	-2	0	331.217	-0.652	20	0		EBADRL
COC(=O)c1cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001228092706	811961375	/nfs/dbraw/zinc/96/13/75/811961375.db2.gz	LODSJLBICRRRAS-KOLCDFICSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COC(=O)c1cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001228092702	811961689	/nfs/dbraw/zinc/96/16/89/811961689.db2.gz	LODSJLBICRRRAS-GXSJLCMTSA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2[nH]ccc21)[C@H](O)C(=O)[O-]	ZINC001228529299	811985347	/nfs/dbraw/zinc/98/53/47/811985347.db2.gz	SGAAEMDKDBTITN-VDTYLAMSSA-N	-2	0	341.301	-0.312	20	0		EBADRL
CNC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229317022	812026683	/nfs/dbraw/zinc/02/66/83/812026683.db2.gz	CXAWYKKDHCWCAB-GZMMTYOYSA-N	-2	0	325.273	-0.512	20	0		EBADRL
COc1ccc2[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c1	ZINC001229726981	812052486	/nfs/dbraw/zinc/05/24/86/812052486.db2.gz	AGENLEHFZUTITJ-SECBINFHSA-N	-2	0	332.205	-0.053	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccn2c(=O)ccnc12)[C@H](O)C(=O)[O-]	ZINC001229928194	812063997	/nfs/dbraw/zinc/06/39/97/812063997.db2.gz	BQNKSWKXSVTESY-CPCISQLKSA-N	-2	0	336.256	-0.864	20	0		EBADRL
COC(=O)c1cc(F)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001230421504	812126897	/nfs/dbraw/zinc/12/68/97/812126897.db2.gz	QLVCVVRHLDVGAC-SECBINFHSA-N	-2	0	338.180	-0.012	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2c1SCC2)[C@H](O)C(=O)[O-]	ZINC001230791666	812235100	/nfs/dbraw/zinc/23/51/00/812235100.db2.gz	GMAYYRZOHREEJC-FBCQKBJTSA-N	-2	0	344.301	-0.728	20	0		EBADRL
CCOC(=O)c1ccnnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230911217	812254597	/nfs/dbraw/zinc/25/45/97/812254597.db2.gz	WSNYTGJUGIQNCH-CBAPKCEASA-N	-2	0	342.260	-0.905	20	0		EBADRL
CC(=O)N1CCc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21	ZINC001233650009	812326473	/nfs/dbraw/zinc/32/64/73/812326473.db2.gz	SODKVIARIZWCEB-GFCCVEGCSA-N	-2	0	345.244	-0.029	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-n2cncn2)cc1)[C@H](O)C(=O)[O-]	ZINC001233920529	812368912	/nfs/dbraw/zinc/36/89/12/812368912.db2.gz	HMKUIVRCUDJNKB-JQWIXIFHSA-N	-2	0	335.272	-0.291	20	0		EBADRL
O=C([C@H](O)COP(=O)([O-])[O-])N1Cc2ccccc2S1(=O)=O	ZINC001250383199	812610424	/nfs/dbraw/zinc/61/04/24/812610424.db2.gz	OZFBSLKKTQBXON-MRVPVSSYSA-N	-2	0	337.246	-0.812	20	0		EBADRL
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)c1[O-]	ZINC001087935436	816583140	/nfs/dbraw/zinc/58/31/40/816583140.db2.gz	DJPNVYBSJXFKRV-ZJUUUORDSA-N	-2	0	347.379	-0.158	20	0		EBADRL
COC(=O)CC[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C(N)=O	ZINC001180176771	833052818	/nfs/dbraw/zinc/05/28/18/833052818.db2.gz	OBNUEEIGOHTQPY-BYPYZUCNSA-N	-2	0	332.206	-0.735	20	0		EBADRL
Cc1ccc(S(=O)(=O)CC(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001143004193	830140400	/nfs/dbraw/zinc/14/04/00/830140400.db2.gz	IOMWFJQCRDSNOA-UHFFFAOYSA-N	-2	0	337.290	-0.006	20	0		EBADRL
COC(=O)[C@H](COC(C)(C)C)NC(=O)NCCOP(=O)([O-])[O-]	ZINC001191924524	834572955	/nfs/dbraw/zinc/57/29/55/834572955.db2.gz	XPTCGEGOKBRICM-QMMMGPOBSA-N	-2	0	342.285	-0.248	20	0		EBADRL
O=C(CSCC(=O)[N-]OC[C@H]1CCOC1)[N-]OC[C@H]1CCOC1	ZINC001324452671	839660859	/nfs/dbraw/zinc/66/08/59/839660859.db2.gz	RLYKPHCTSGMMBL-RYUDHWBXSA-N	-2	0	348.421	-0.112	20	0		EBADRL
CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001327946545	840555116	/nfs/dbraw/zinc/55/51/16/840555116.db2.gz	SIUXXYPGJZWCFH-RFAUZJTJSA-N	-2	0	342.348	-0.600	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)CC1	ZINC001331820454	841510652	/nfs/dbraw/zinc/51/06/52/841510652.db2.gz	ZUHBYFQVALQQPO-LLVKDONJSA-N	-2	0	334.394	-0.200	20	0		EBADRL
C[C@H](C(=O)N[C@@H](C)c1nn(C)cc1[O-])n1cnc(-c2nnn[n-]2)n1	ZINC001575250974	949121284	/nfs/dbraw/zinc/12/12/84/949121284.db2.gz	JOAMJGSLAZUWOV-NKWVEPMBSA-N	-2	0	332.328	-0.664	20	0		EBADRL
C[C@@H]1C(=O)N(C)CN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001575863757	949355015	/nfs/dbraw/zinc/35/50/15/949355015.db2.gz	DVSWHWWTADPWMM-SSDOTTSWSA-N	-2	0	329.324	-0.765	20	0		EBADRL
Cn1ncc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1Cl	ZINC001594579113	955948372	/nfs/dbraw/zinc/94/83/72/955948372.db2.gz	OAXXGSARBKVFGV-UHFFFAOYSA-N	-2	0	334.697	-0.122	20	0		EBADRL
C[C@@](O)(CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-]	ZINC001589140381	956264160	/nfs/dbraw/zinc/26/41/60/956264160.db2.gz	JVVMUPRIWCLUJJ-CQSZACIVSA-N	-2	0	337.357	-0.363	20	0		EBADRL
O=C([O-])c1cccc(CS(=O)(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000392172806	972421487	/nfs/dbraw/zinc/42/14/87/972421487.db2.gz	PRZGBUASLJWSHT-UHFFFAOYSA-N	-2	0	327.318	-0.277	20	0		EBADRL
C[C@@](O)(C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)[O-]	ZINC001603263455	972449966	/nfs/dbraw/zinc/44/99/66/972449966.db2.gz	LLNRGWVGFDWDEC-BIBXISHDSA-N	-2	0	336.391	-0.187	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)on1	ZINC000316055253	963970929	/nfs/dbraw/zinc/97/09/29/963970929.db2.gz	WXSHFPFAUHTXPV-DTWKUNHWSA-N	-2	0	331.350	-0.486	20	0		EBADRL
O=C([O-])C1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCSCC1	ZINC001605916260	972792672	/nfs/dbraw/zinc/79/26/72/972792672.db2.gz	PCFVGBUJTDTKMY-QMMMGPOBSA-N	-2	0	327.366	-0.302	20	0		EBADRL
O=C([O-])C1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCSCC1	ZINC001605916259	972792856	/nfs/dbraw/zinc/79/28/56/972792856.db2.gz	PCFVGBUJTDTKMY-MRVPVSSYSA-N	-2	0	327.366	-0.302	20	0		EBADRL
CCC(CC)(NC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O)c1nnn[n-]1	ZINC001603543088	973597320	/nfs/dbraw/zinc/59/73/20/973597320.db2.gz	FJAJCKMFKQOZRV-SECBINFHSA-N	-2	0	338.368	-0.346	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC001604584106	973675180	/nfs/dbraw/zinc/67/51/80/973675180.db2.gz	LVKNSFJPFMDLSD-UHFFFAOYSA-N	-2	0	338.382	-0.803	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	ZINC001603792417	974253432	/nfs/dbraw/zinc/25/34/32/974253432.db2.gz	SZBFVDOVJJPRIB-MRVPVSSYSA-N	-2	0	336.366	-0.514	20	0		EBADRL
C[C@@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001592406817	977986421	/nfs/dbraw/zinc/98/64/21/977986421.db2.gz	XGWGBGZJNXBGCS-LURJTMIESA-N	-2	0	338.363	-0.313	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)Cc1ccccc1)C(=O)[O-]	ZINC001592801160	979463721	/nfs/dbraw/zinc/46/37/21/979463721.db2.gz	YIYLQELYLIXLLA-YUSALJHKSA-N	-2	0	345.373	-0.317	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])C(=O)[O-]	ZINC001592816340	979514730	/nfs/dbraw/zinc/51/47/30/979514730.db2.gz	OPNQXTWLKWVZKH-HTQZYQBOSA-N	-2	0	339.366	-0.189	20	0		EBADRL
CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CC1=O	ZINC001595897001	982944386	/nfs/dbraw/zinc/94/43/86/982944386.db2.gz	UODCSFWUHQMYCS-IVZWLZJFSA-N	-2	0	334.394	-0.200	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1	ZINC001596968458	986182869	/nfs/dbraw/zinc/18/28/69/986182869.db2.gz	NNWOBKZETMELAD-UHFFFAOYSA-N	-2	0	337.332	-0.773	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC001589450434	986840894	/nfs/dbraw/zinc/84/08/94/986840894.db2.gz	DAWPDIITOBUICR-JGVFFNPUSA-N	-2	0	347.397	-0.474	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O	ZINC001589451942	986847392	/nfs/dbraw/zinc/84/73/92/986847392.db2.gz	KEQZSBXYQZWCLX-DTWKUNHWSA-N	-2	0	348.377	-0.529	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC001589454474	986878813	/nfs/dbraw/zinc/87/88/13/986878813.db2.gz	OCMPXTRWHBLCTN-NKWVEPMBSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC001589454475	986879065	/nfs/dbraw/zinc/87/90/65/986879065.db2.gz	OCMPXTRWHBLCTN-RNFRBKRXSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC001589455378	986895740	/nfs/dbraw/zinc/89/57/40/986895740.db2.gz	ZEVRRUNAZVWACN-JGVFFNPUSA-N	-2	0	328.346	-0.046	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)(F)F	ZINC001589490700	987055168	/nfs/dbraw/zinc/05/51/68/987055168.db2.gz	DTVZAGFJYIONGU-SCSAIBSYSA-N	-2	0	329.256	-0.028	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1	ZINC001589491261	987057705	/nfs/dbraw/zinc/05/77/05/987057705.db2.gz	JLYJPBZWCPIYBH-SSDOTTSWSA-N	-2	0	325.306	-0.805	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C	ZINC001589491235	987058156	/nfs/dbraw/zinc/05/81/56/987058156.db2.gz	IXPAJMGVWADCBO-BYPYZUCNSA-N	-2	0	329.256	-0.028	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	ZINC001589495722	987074903	/nfs/dbraw/zinc/07/49/03/987074903.db2.gz	RDXAGJCUJBASEY-BDAKNGLRSA-N	-2	0	334.394	-0.057	20	0		EBADRL
CCS(=O)(CC)=NS(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1	ZINC001597246697	987229334	/nfs/dbraw/zinc/22/93/34/987229334.db2.gz	XTBOLSSEZXIRRJ-JTQLQIEISA-N	-2	0	328.412	-0.038	20	0		EBADRL
CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]OCCCC(=O)[O-]	ZINC001590150599	989451869	/nfs/dbraw/zinc/45/18/69/989451869.db2.gz	QFQIGKCSUOFFQH-UHFFFAOYSA-N	-2	0	333.341	-0.460	20	0		EBADRL
CCn1ccc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC001597905255	989795173	/nfs/dbraw/zinc/79/51/73/989795173.db2.gz	YFMCKZUZAJUKKQ-UHFFFAOYSA-N	-2	0	344.393	-0.397	20	0		EBADRL
CCn1[n-]nnc1=NC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001597982305	990050605	/nfs/dbraw/zinc/05/06/05/990050605.db2.gz	MFOFSQKPUVWQSY-AWEZNQCLSA-N	-2	0	338.368	-0.271	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001599760910	992120833	/nfs/dbraw/zinc/12/08/33/992120833.db2.gz	RYQALQVGMWZLET-UHFFFAOYSA-N	-2	0	332.309	-0.531	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)s1	ZINC001599762643	992143731	/nfs/dbraw/zinc/14/37/31/992143731.db2.gz	VLCMVSXXGXGKJR-UHNVWZDZSA-N	-2	0	336.351	-0.520	20	0		EBADRL
CC(C)CNC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1	ZINC001591370677	992404023	/nfs/dbraw/zinc/40/40/23/992404023.db2.gz	PDURNPIUIRZUAR-SNVBAGLBSA-N	-2	0	349.409	-0.405	20	0		EBADRL
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001598687263	995014664	/nfs/dbraw/zinc/01/46/64/995014664.db2.gz	GWOQMVOEENTVBG-QGAWUEONSA-N	-2	0	333.362	-0.115	20	0		EBADRL
C[C@](O)(CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC001593416782	995200088	/nfs/dbraw/zinc/20/00/88/995200088.db2.gz	DTCNLNXKVHYWCX-NSHDSACASA-N	-2	0	339.272	-0.223	20	0		EBADRL
COC(=O)C1(NC(=O)CCc2nnn[n-]2)CCC(C(=O)[O-])CC1	ZINC001598721859	995488958	/nfs/dbraw/zinc/48/89/58/995488958.db2.gz	DQRXORWQVGDMEG-UHFFFAOYSA-N	-2	0	325.325	-0.565	20	0		EBADRL
COC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CCOC1	ZINC001598726040	995519406	/nfs/dbraw/zinc/51/94/06/995519406.db2.gz	VQEQUXWVJBIEAE-BREBYQMCSA-N	-2	0	335.378	-0.119	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-]	ZINC001598838689	996507130	/nfs/dbraw/zinc/50/71/30/996507130.db2.gz	AZBRNVJWNONDBM-ZCFIWIBFSA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598883406	996848121	/nfs/dbraw/zinc/84/81/21/996848121.db2.gz	OKELORJXPCUMGM-UHFFFAOYSA-N	-2	0	330.318	-0.313	20	0		EBADRL
COC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])O1	ZINC001598904672	997242456	/nfs/dbraw/zinc/24/24/56/997242456.db2.gz	BQFCZPKSHACQTE-RYPBNFRJSA-N	-2	0	337.350	-0.738	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001599321294	997586364	/nfs/dbraw/zinc/58/63/64/997586364.db2.gz	YKRCEVGFUHRIRL-QMMMGPOBSA-N	-2	0	326.313	-1.000	20	0		EBADRL
CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@](C)(C(=O)[O-])C1	ZINC001599136211	998048963	/nfs/dbraw/zinc/04/89/63/998048963.db2.gz	ARSBPYWDPDMBSH-MADCSZMMSA-N	-2	0	332.334	-0.034	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C	ZINC001599251542	998239617	/nfs/dbraw/zinc/23/96/17/998239617.db2.gz	LPHFJUWOYGUDFG-UHFFFAOYSA-N	-2	0	334.350	-0.554	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1cnn(C)c1	ZINC001599028291	999031943	/nfs/dbraw/zinc/03/19/43/999031943.db2.gz	KVANGJKRUPMXCS-XKSSXDPKSA-N	-2	0	333.366	-0.337	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)C[C@@H](C(=O)[O-])O1	ZINC001594393425	999482724	/nfs/dbraw/zinc/48/27/24/999482724.db2.gz	NYSXHLJKQFTIBH-MMWGEVLESA-N	-2	0	342.348	-0.744	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N(C)c2nnn[n-]2)c1	ZINC001363316772	1131893821	/nfs/dbraw/zinc/89/38/21/1131893821.db2.gz	DPFFUFFCCKTJQJ-UHFFFAOYSA-N	-2	0	326.338	-0.568	20	0		EBADRL
Cc1cc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC001365157239	1132562824	/nfs/dbraw/zinc/56/28/24/1132562824.db2.gz	DQUHQSIOISLLFY-NXEZZACHSA-N	-2	0	348.359	-0.193	20	0		EBADRL
COc1ccc(OC)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000316874852	377088669	/nfs/dbraw/zinc/08/86/69/377088669.db2.gz	WXBNKDSRUHQVAB-MRVPVSSYSA-N	-2	0	333.318	-0.090	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])C[C@@H](C)O1	ZINC000319096842	378524432	/nfs/dbraw/zinc/52/44/32/378524432.db2.gz	VAHGSFGYRWQDHD-OPRDCNLKSA-N	-2	0	338.382	-0.362	20	0		EBADRL
O=c1[n-]c(CN2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]3CCCC[C@H]32)n[nH]1	ZINC000339737248	378985822	/nfs/dbraw/zinc/98/58/22/378985822.db2.gz	KLHQEQUHMUOUER-AOOOYVTPSA-N	-2	0	334.384	-0.037	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(F)c1	ZINC000571599499	379218742	/nfs/dbraw/zinc/21/87/42/379218742.db2.gz	KDWVIOSNFRNUFJ-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
C[C@H](CC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000270545724	379456889	/nfs/dbraw/zinc/45/68/89/379456889.db2.gz	YVPVSLXTEPPGIJ-RXMQYKEDSA-N	-2	0	328.306	-0.423	20	0		EBADRL
CCOc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cn1	ZINC000274966780	379727762	/nfs/dbraw/zinc/72/77/62/379727762.db2.gz	JYZIYJRPEPSLTM-MRVPVSSYSA-N	-2	0	332.334	-0.066	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275048462	379733258	/nfs/dbraw/zinc/73/32/58/379733258.db2.gz	WTMVZTXKBVCBBY-ZCFIWIBFSA-N	-2	0	329.290	-0.323	20	0		EBADRL
Nc1ncc(Cl)cc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275041057	379733430	/nfs/dbraw/zinc/73/34/30/379733430.db2.gz	VLMCVRPTIRNFRF-YFKPBYRVSA-N	-2	0	337.741	-0.229	20	0		EBADRL
O=C([O-])C1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000275162901	379739845	/nfs/dbraw/zinc/73/98/45/379739845.db2.gz	UWZNAPKYSUJVDC-UHFFFAOYSA-N	-2	0	326.290	-0.859	20	0		EBADRL
COc1cccc(C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])c1	ZINC000630245285	380020376	/nfs/dbraw/zinc/02/03/76/380020376.db2.gz	ZKJJNHNBGDKPON-LBPRGKRZSA-N	-2	0	347.327	-0.080	20	0		EBADRL
N#Cc1cc(F)c(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c(F)c1	ZINC000547544359	380142451	/nfs/dbraw/zinc/14/24/51/380142451.db2.gz	VJVFSFJMIBZHCO-UHFFFAOYSA-N	-2	0	333.272	-0.684	20	0		EBADRL
CN(CC(=O)[O-])S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000547776817	380162439	/nfs/dbraw/zinc/16/24/39/380162439.db2.gz	LXTWXEVRGAQLHC-UHFFFAOYSA-N	-2	0	331.302	-0.139	20	0		EBADRL
COC(=O)c1nscc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000548536692	380212880	/nfs/dbraw/zinc/21/28/80/380212880.db2.gz	OWFDPOHRPXIQQM-UHFFFAOYSA-N	-2	0	338.319	-0.910	20	0		EBADRL
CN1CCc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc21	ZINC000548537723	380213409	/nfs/dbraw/zinc/21/34/09/380213409.db2.gz	JZGSMFNDMFQAAA-UHFFFAOYSA-N	-2	0	328.346	-0.161	20	0		EBADRL
Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000285256340	380234972	/nfs/dbraw/zinc/23/49/72/380234972.db2.gz	UZGZBMNIUNUQKH-DTWKUNHWSA-N	-2	0	331.350	-0.475	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000287450597	380353611	/nfs/dbraw/zinc/35/36/11/380353611.db2.gz	IATGLVPEOFBYLS-RKDXNWHRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
COC(=O)Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000567046462	380500102	/nfs/dbraw/zinc/50/01/02/380500102.db2.gz	DAMPONMLHOTCJG-JTQLQIEISA-N	-2	0	345.329	-0.392	20	0		EBADRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)C1	ZINC000574191236	380704485	/nfs/dbraw/zinc/70/44/85/380704485.db2.gz	AUUHNYDSJFDBLF-ZDUSSCGKSA-N	-2	0	335.378	-0.006	20	0		EBADRL
C[C@H]1CCCc2nc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000581418117	381073203	/nfs/dbraw/zinc/07/32/03/381073203.db2.gz	WLGHGBKOTIMFRV-YUMQZZPRSA-N	-2	0	331.350	-0.013	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1C(N)=O	ZINC000537640005	381899418	/nfs/dbraw/zinc/89/94/18/381899418.db2.gz	VIJRELJYYCEMBE-UHFFFAOYSA-N	-2	0	327.322	-0.644	20	0		EBADRL
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	ZINC000261646219	154196057	/nfs/dbraw/zinc/19/60/57/154196057.db2.gz	GYCMIEZFQMAPBA-LURJTMIESA-N	-2	0	342.333	-0.872	20	0		EBADRL
CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274908220	154628055	/nfs/dbraw/zinc/62/80/55/154628055.db2.gz	JSOUPZKEKWOGPU-VIFPVBQESA-N	-2	0	342.329	-0.588	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1C	ZINC000274904512	154628600	/nfs/dbraw/zinc/62/86/00/154628600.db2.gz	IZWCDUKIBPKYAR-JTQLQIEISA-N	-2	0	345.329	-0.012	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)[O-]	ZINC000274936961	154630368	/nfs/dbraw/zinc/63/03/68/154630368.db2.gz	QCHWDNFPBHNCCK-ZCFIWIBFSA-N	-2	0	345.255	-0.348	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-]	ZINC000275229160	154644520	/nfs/dbraw/zinc/64/45/20/154644520.db2.gz	JDWFCAKFGROHNX-SECBINFHSA-N	-2	0	328.302	-0.613	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CCC1	ZINC000291054723	155012971	/nfs/dbraw/zinc/01/29/71/155012971.db2.gz	ZUNIWDAHOFIEMT-MRVPVSSYSA-N	-2	0	337.350	-0.575	20	0		EBADRL
COC(=O)c1c(F)cccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274950612	419325217	/nfs/dbraw/zinc/32/52/17/419325217.db2.gz	SNMVCGZOTGFOCM-SSDOTTSWSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)c1c(F)cccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000275010418	419325409	/nfs/dbraw/zinc/32/54/09/419325409.db2.gz	PVQMYMGHNHCEGH-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000515656720	420658805	/nfs/dbraw/zinc/65/88/05/420658805.db2.gz	KOJWQBTWXHGILG-BQBZGAKWSA-N	-2	0	333.322	-0.639	20	0		EBADRL
O=C([O-])[C@@H](CCF)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000656165632	420882956	/nfs/dbraw/zinc/88/29/56/420882956.db2.gz	XEJGHQCAAQBQGM-SSDOTTSWSA-N	-2	0	346.296	-0.473	20	0		EBADRL
O=C([O-])C1CCC(NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CC1	ZINC000424397440	265061295	/nfs/dbraw/zinc/06/12/95/265061295.db2.gz	KBGKWEAOIDIYML-UDNWOFFPSA-N	-2	0	348.377	-0.477	20	0		EBADRL
Cc1c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cnn1C	ZINC000291840382	300986096	/nfs/dbraw/zinc/98/60/96/300986096.db2.gz	HFZYLUNNHFEUFA-RKDXNWHRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1	ZINC000342787840	303262788	/nfs/dbraw/zinc/26/27/88/303262788.db2.gz	LKFBAKPINQSESA-UHFFFAOYSA-N	-2	0	330.347	-0.071	20	0		EBADRL
C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000650417621	568587069	/nfs/dbraw/zinc/58/70/69/568587069.db2.gz	QBYQQKBVZLSZAL-UFBFGSQYSA-N	-2	0	336.366	-0.956	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000558473299	568586447	/nfs/dbraw/zinc/58/64/47/568586447.db2.gz	NSWGSFJNPVGIAA-GFCCVEGCSA-N	-2	0	331.350	-0.331	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000737714875	582685831	/nfs/dbraw/zinc/68/58/31/582685831.db2.gz	YFDHSKCAAQIJFZ-ZJUUUORDSA-N	-2	0	327.314	-0.001	20	0		EBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])s1	ZINC000736155506	582923263	/nfs/dbraw/zinc/92/32/63/582923263.db2.gz	GQLLXGBPEVAOKX-IUCAKERBSA-N	-2	0	346.386	-0.090	20	0		EBADRL
CC(C)C(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736345485	582931057	/nfs/dbraw/zinc/93/10/57/582931057.db2.gz	QAWQYWNVLLIGQC-JTQLQIEISA-N	-2	0	334.394	-0.056	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)CCNC(=O)[O-]	ZINC000737136548	582991900	/nfs/dbraw/zinc/99/19/00/582991900.db2.gz	VGRDTSCBAKDJIX-MRVPVSSYSA-N	-2	0	337.354	-0.967	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000759509822	583214210	/nfs/dbraw/zinc/21/42/10/583214210.db2.gz	IOUBQTLRKOIADD-ZCFIWIBFSA-N	-2	0	332.300	-0.322	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759512446	583214270	/nfs/dbraw/zinc/21/42/70/583214270.db2.gz	QLUFBSYQPRAPMV-ZCFIWIBFSA-N	-2	0	334.316	-0.076	20	0		EBADRL
Cn1c(Cl)ncc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000776437287	583404084	/nfs/dbraw/zinc/40/40/84/583404084.db2.gz	GOKCUQOJKCSMNR-RXMQYKEDSA-N	-2	0	325.730	-0.330	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776437624	583404192	/nfs/dbraw/zinc/40/41/92/583404192.db2.gz	ZREZXGOUIVMGAA-SECBINFHSA-N	-2	0	343.313	-0.047	20	0		EBADRL
Cn1cnc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1Cl	ZINC000776585408	583406780	/nfs/dbraw/zinc/40/67/80/583406780.db2.gz	RPUOQWNAQSKADT-JTQLQIEISA-N	-2	0	339.757	-0.083	20	0		EBADRL
C[C@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000776587739	583406798	/nfs/dbraw/zinc/40/67/98/583406798.db2.gz	MRIYVQKZFCYWJP-ZCFIWIBFSA-N	-2	0	342.333	-0.175	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776635312	583407777	/nfs/dbraw/zinc/40/77/77/583407777.db2.gz	QHGLZDCARLGIGO-SSDOTTSWSA-N	-2	0	343.313	-0.189	20	0		EBADRL
C[C@@H](C(=O)OCc1n[nH]c(=O)[n-]1)[C@@H](C)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000791464675	583551011	/nfs/dbraw/zinc/55/10/11/583551011.db2.gz	UNGRSAVFEZFWNN-PHDIDXHHSA-N	-2	0	340.296	-0.607	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820282021	583770412	/nfs/dbraw/zinc/77/04/12/583770412.db2.gz	HWZFNDRASDZZJJ-UHFFFAOYSA-N	-2	0	331.285	-0.416	20	0		EBADRL
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821388951	583790493	/nfs/dbraw/zinc/79/04/93/583790493.db2.gz	CCFKHJCDECTCFM-QMMMGPOBSA-N	-2	0	340.365	-0.399	20	0		EBADRL
C[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1CNC(=O)[O-]	ZINC000825914159	583870714	/nfs/dbraw/zinc/87/07/14/583870714.db2.gz	XTNSXDYQJKICRZ-GXSJLCMTSA-N	-2	0	348.363	-0.034	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000827304407	583918598	/nfs/dbraw/zinc/91/85/98/583918598.db2.gz	TXXPHMVVXKPMFM-MRVPVSSYSA-N	-2	0	343.361	-0.229	20	0		EBADRL
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827403944	583920867	/nfs/dbraw/zinc/92/08/67/583920867.db2.gz	BMGFCSYQZHZQAP-NXEZZACHSA-N	-2	0	338.382	-0.374	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)cn1	ZINC000827707660	583926681	/nfs/dbraw/zinc/92/66/81/583926681.db2.gz	WNYNLIFXLMTQDK-VIFPVBQESA-N	-2	0	332.338	-0.913	20	0		EBADRL
CC[C@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1	ZINC000828628942	583943595	/nfs/dbraw/zinc/94/35/95/583943595.db2.gz	WDDZHJCHSRUORO-CYBMUJFWSA-N	-2	0	346.409	-0.234	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000828903015	583948171	/nfs/dbraw/zinc/94/81/71/583948171.db2.gz	JWXRAZGWOJDCDI-NXEZZACHSA-N	-2	0	338.382	-0.374	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828963920	583949160	/nfs/dbraw/zinc/94/91/60/583949160.db2.gz	HGZBRECBIBEIGU-VHSXEESVSA-N	-2	0	337.398	-0.248	20	0		EBADRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000831192538	583978915	/nfs/dbraw/zinc/97/89/15/583978915.db2.gz	NEXPJMBDUSRZBN-UHFFFAOYSA-N	-2	0	343.321	-0.862	20	0		EBADRL
NC(=O)c1csc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831239925	583979937	/nfs/dbraw/zinc/97/99/37/583979937.db2.gz	JZLYXWCHJHYXNY-ZETCQYMHSA-N	-2	0	347.374	-0.341	20	0		EBADRL
O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000831403553	583982336	/nfs/dbraw/zinc/98/23/36/583982336.db2.gz	YIRYUDBRJIEXPD-DTWKUNHWSA-N	-2	0	342.381	-0.415	20	0		EBADRL
O=C([O-])N1CCO[C@H](CC(=O)[N-]S(=O)(=O)CC(F)(F)F)C1	ZINC000831387516	583982443	/nfs/dbraw/zinc/98/24/43/583982443.db2.gz	LOWJXXGEYZIUQV-ZCFIWIBFSA-N	-2	0	334.272	-0.236	20	0		EBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)Cc1ccon1	ZINC000831387346	583982448	/nfs/dbraw/zinc/98/24/48/583982448.db2.gz	HUZHWBUUIWGKCF-VIFPVBQESA-N	-2	0	333.322	-0.611	20	0		EBADRL
COC[C@@](C)(NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)[O-]	ZINC000831613486	583988340	/nfs/dbraw/zinc/98/83/40/583988340.db2.gz	WGRSAMBEKNVWKP-CQSZACIVSA-N	-2	0	336.304	-0.036	20	0		EBADRL
O=C(CCOCC1CC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833102734	584005710	/nfs/dbraw/zinc/00/57/10/584005710.db2.gz	FTSKNTHZXQHFGD-UHFFFAOYSA-N	-2	0	334.394	-0.039	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])cc1	ZINC000833700805	584014187	/nfs/dbraw/zinc/01/41/87/584014187.db2.gz	SHTBBQMNNSMEKW-MRVPVSSYSA-N	-2	0	328.346	-0.038	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-])c1	ZINC000833716535	584015243	/nfs/dbraw/zinc/01/52/43/584015243.db2.gz	KYIFQKGJAYPEDS-ZETCQYMHSA-N	-2	0	330.318	-0.066	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCOC1CN(C(=O)[O-])C1	ZINC000833932775	584019837	/nfs/dbraw/zinc/01/98/37/584019837.db2.gz	RXPUHRCPOZLEJX-UHFFFAOYSA-N	-2	0	347.349	-0.135	20	0		EBADRL
O=C([O-])N1CCc2ncc(NC(=O)c3n[nH]c(=O)[n-]c3=O)cc2C1	ZINC000834057003	584025463	/nfs/dbraw/zinc/02/54/63/584025463.db2.gz	BKHYWNFDKPPTOK-UHFFFAOYSA-N	-2	0	332.276	-0.034	20	0		EBADRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1	ZINC000834086225	584025983	/nfs/dbraw/zinc/02/59/83/584025983.db2.gz	CEHOQVYHBTYXQN-NXEZZACHSA-N	-2	0	336.352	-0.120	20	0		EBADRL
O=C([O-])N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000834136120	584026990	/nfs/dbraw/zinc/02/69/90/584026990.db2.gz	PXIXQFGLXHYOBM-RNFRBKRXSA-N	-2	0	330.309	-0.097	20	0		EBADRL
Cn1nnc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC000852732331	584215017	/nfs/dbraw/zinc/21/50/17/584215017.db2.gz	BAAAFHFGXYBDMS-POYBYMJQSA-N	-2	0	336.274	-0.694	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1C(N)=O	ZINC000863953662	584380862	/nfs/dbraw/zinc/38/08/62/584380862.db2.gz	ZPLLLHZBLKXYDD-SECBINFHSA-N	-2	0	345.377	-0.324	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1C(N)=O	ZINC000863953566	584380865	/nfs/dbraw/zinc/38/08/65/584380865.db2.gz	XMFHZAUIARSYKD-UHFFFAOYSA-N	-2	0	329.334	-0.816	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])nc1	ZINC000863956731	584381098	/nfs/dbraw/zinc/38/10/98/584381098.db2.gz	GBNIOJGDHQKTMS-UHFFFAOYSA-N	-2	0	346.317	-0.836	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)cc1	ZINC000863958474	584381316	/nfs/dbraw/zinc/38/13/16/584381316.db2.gz	ZMWDBQQJLQXNCY-LLVKDONJSA-N	-2	0	340.357	-0.038	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC000863957899	584381330	/nfs/dbraw/zinc/38/13/30/584381330.db2.gz	INQGTUCOKZNCHU-LURJTMIESA-N	-2	0	348.358	-0.155	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CC=CC1	ZINC000863962028	584381761	/nfs/dbraw/zinc/38/17/61/584381761.db2.gz	DSZQXLWPRVLUQY-UHFFFAOYSA-N	-2	0	341.345	-0.109	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCOC2)cn1	ZINC000863960862	584381767	/nfs/dbraw/zinc/38/17/67/584381767.db2.gz	BPQPNNMJSPBMCT-MRVPVSSYSA-N	-2	0	329.334	-0.339	20	0		EBADRL
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C[C@H](COC)OC	ZINC000863964137	584381882	/nfs/dbraw/zinc/38/18/82/584381882.db2.gz	FFJISHMGVLEXTB-VIFPVBQESA-N	-2	0	325.383	-0.015	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c1	ZINC000863966008	584382370	/nfs/dbraw/zinc/38/23/70/584382370.db2.gz	QELNZNIJIREZTM-SECBINFHSA-N	-2	0	331.302	-0.018	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(c2ccccc2)C1	ZINC000739842657	600178664	/nfs/dbraw/zinc/17/86/64/600178664.db2.gz	NQDDKJSMHBOXPY-VIFPVBQESA-N	-2	0	326.330	-0.430	20	0		EBADRL
C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@@H](C)N1C(=O)[O-]	ZINC000739132261	602755211	/nfs/dbraw/zinc/75/52/11/602755211.db2.gz	FKQUTHXIFSYSSY-RKDXNWHRSA-N	-2	0	334.336	-0.330	20	0		EBADRL
CCN(CC(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-]	ZINC000739394997	602867393	/nfs/dbraw/zinc/86/73/93/602867393.db2.gz	IAHSGFDGFQCNEU-UHFFFAOYSA-N	-2	0	343.361	-0.101	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)[O-]	ZINC000739804630	602998143	/nfs/dbraw/zinc/99/81/43/602998143.db2.gz	HPUTXWFTIRZJKG-JGVFFNPUSA-N	-2	0	328.412	-0.143	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-]	ZINC000739469505	603072270	/nfs/dbraw/zinc/07/22/70/603072270.db2.gz	QHXJPBNSAXKKPT-YUMQZZPRSA-N	-2	0	337.354	-0.969	20	0		EBADRL
C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@H]1NC(=O)[O-]	ZINC000739138104	603343996	/nfs/dbraw/zinc/34/39/96/603343996.db2.gz	ROWFKEZLGUTZMI-WCBMZHEXSA-N	-2	0	334.336	-0.424	20	0		EBADRL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CCO)C(=O)[O-]	ZINC000857842345	650041615	/nfs/dbraw/zinc/04/16/15/650041615.db2.gz	LBCSFZCTGJTJBJ-QMMMGPOBSA-N	-2	0	333.318	-0.487	20	0		EBADRL
O=C([O-])CNC(=O)c1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1	ZINC000906497213	650068242	/nfs/dbraw/zinc/06/82/42/650068242.db2.gz	SFCOMLITXDYBPU-UHFFFAOYSA-N	-2	0	342.329	-0.604	20	0		EBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000912557491	650208948	/nfs/dbraw/zinc/20/89/48/650208948.db2.gz	BKSXJEFFOPLDSB-ZCFIWIBFSA-N	-2	0	349.321	-0.899	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000916106306	650272947	/nfs/dbraw/zinc/27/29/47/650272947.db2.gz	SAGSWYQQWQEHPG-SECBINFHSA-N	-3	0	331.302	-0.019	20	0		EBADRL
NC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC000739162146	719419777	/nfs/dbraw/zinc/41/97/77/719419777.db2.gz	YZSNWGCKVQBHPE-UHFFFAOYSA-N	-2	0	344.345	-0.525	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@]3(CCN(Cc4n[nH]c(=O)[n-]4)C3)C2)c1[O-]	ZINC001041206950	732031077	/nfs/dbraw/zinc/03/10/77/732031077.db2.gz	HNTQXOOHBHNCRO-HNNXBMFYSA-N	-2	0	347.379	-0.014	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)[C@@H]3C2)c1[O-]	ZINC001042015521	732277294	/nfs/dbraw/zinc/27/72/94/732277294.db2.gz	JANHNKMKGGSQCG-NXEZZACHSA-N	-2	0	347.379	-0.016	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000316986717	803766575	/nfs/dbraw/zinc/76/65/75/803766575.db2.gz	IOHKRXAYMZLCKN-ZCFIWIBFSA-N	-2	0	336.253	-0.060	20	0		EBADRL
COC(=O)c1ccccc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001223039505	811679559	/nfs/dbraw/zinc/67/95/59/811679559.db2.gz	GYYISEBZHDDOET-SNVBAGLBSA-N	-2	0	334.217	-0.013	20	0		EBADRL
CC(C)(C)c1nc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])no1	ZINC001223188255	811686596	/nfs/dbraw/zinc/68/65/96/811686596.db2.gz	IHUJXGGVDCQUSO-IMTBSYHQSA-N	-2	0	330.293	-0.053	20	0		EBADRL
COC(=O)c1cccnc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223436358	811704463	/nfs/dbraw/zinc/70/44/63/811704463.db2.gz	ABCQBPCDMDQOGH-GZMMTYOYSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cncc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001223493839	811710068	/nfs/dbraw/zinc/71/00/68/811710068.db2.gz	SVIRDCBGQCZBSA-KOLCDFICSA-N	-2	0	341.272	-0.552	20	0		EBADRL
CN(C)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223511809	811711435	/nfs/dbraw/zinc/71/14/35/811711435.db2.gz	HLLBBJNQZXQFPE-BXKDBHETSA-N	-2	0	326.305	-0.273	20	0		EBADRL
CCOC(=O)c1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001223713850	811725745	/nfs/dbraw/zinc/72/57/45/811725745.db2.gz	LRQMOEZELQTUBF-SNVBAGLBSA-N	-2	0	349.232	-0.228	20	0		EBADRL
Cc1nc(C)c(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1C	ZINC001224152230	811747999	/nfs/dbraw/zinc/74/79/99/811747999.db2.gz	UDKPTLIFYFCIEK-CABZTGNLSA-N	-2	0	326.305	-0.019	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(-n2nccn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001224188913	811748789	/nfs/dbraw/zinc/74/87/89/811748789.db2.gz	KIGUCTJBUORKSJ-DGCLKSJQSA-N	-2	0	349.299	-0.153	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)Nc1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001224459460	811761862	/nfs/dbraw/zinc/76/18/62/811761862.db2.gz	BTTPJDOZHHRGBT-BXKDBHETSA-N	-2	0	325.273	-0.295	20	0		EBADRL
CC(C)(C)OC(=O)NCCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224658246	811769601	/nfs/dbraw/zinc/76/96/01/811769601.db2.gz	YBKJEJWZLUJADO-SCZZXKLOSA-N	-2	0	349.336	-0.019	20	0		EBADRL
CC(C)(C)OC(=O)NCCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224658245	811770064	/nfs/dbraw/zinc/77/00/64/811770064.db2.gz	YBKJEJWZLUJADO-PSASIEDQSA-N	-2	0	349.336	-0.019	20	0		EBADRL
CN1C(=O)Cc2cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21	ZINC001225428740	811809820	/nfs/dbraw/zinc/80/98/20/811809820.db2.gz	YJKGYCBMRFGILQ-NOZJJQNGSA-N	-2	0	337.284	-0.353	20	0		EBADRL
CCNC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225483524	811813876	/nfs/dbraw/zinc/81/38/76/811813876.db2.gz	LKDQAGZHAUAQCO-SKDRFNHKSA-N	-2	0	339.300	-0.122	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncc(Br)cn1)[C@H](O)C(=O)[O-]	ZINC001225559490	811817271	/nfs/dbraw/zinc/81/72/71/811817271.db2.gz	IRIOCVHHCFWHJF-VDTYLAMSSA-N	-2	0	349.093	-0.319	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001225766696	811827835	/nfs/dbraw/zinc/82/78/35/811827835.db2.gz	VEZWCBQKWWFVRX-OIBJUYFYSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)OCCO2)[C@@H](O)C(=O)[O-]	ZINC001226034070	811843975	/nfs/dbraw/zinc/84/39/75/811843975.db2.gz	SITPCGPXBAGZBW-QPUJVOFHSA-N	-2	0	326.257	-0.100	20	0		EBADRL
COc1cnc(=S)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226247199	811855279	/nfs/dbraw/zinc/85/52/79/811855279.db2.gz	UUUMIULETCBKCC-FFWSUHOLSA-N	-2	0	332.290	-0.784	20	0		EBADRL
CC(=O)Nc1cccnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226311876	811859716	/nfs/dbraw/zinc/85/97/16/811859716.db2.gz	BRFTURCYBMNSHJ-GMSGAONNSA-N	-2	0	326.261	-0.518	20	0		EBADRL
CCOC(=O)c1cn(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226444953	811865495	/nfs/dbraw/zinc/86/54/95/811865495.db2.gz	UDIMFTQSQWSPIJ-IMTBSYHQSA-N	-2	0	344.276	-0.961	20	0		EBADRL
NC(=S)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001226656855	811877389	/nfs/dbraw/zinc/87/73/89/811877389.db2.gz	ZCKYKIDIGYVGOP-PSASIEDQSA-N	-2	0	327.314	-0.237	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2ncsc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001227612724	811929261	/nfs/dbraw/zinc/92/92/61/811929261.db2.gz	ZPBZNCBFUHYUOP-GSVOUGTGSA-N	-3	0	337.206	-0.833	20	0		EBADRL
COC(=O)c1cc(O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001228098697	811961464	/nfs/dbraw/zinc/96/14/64/811961464.db2.gz	AMSZDVNNRIQALJ-SECBINFHSA-N	-2	0	336.189	-0.446	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc1C	ZINC001228809038	811998471	/nfs/dbraw/zinc/99/84/71/811998471.db2.gz	FESIXPJPDWSDPT-SECBINFHSA-N	-2	0	349.232	-0.058	20	0		EBADRL
CCOC(=O)c1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229148662	812014260	/nfs/dbraw/zinc/01/42/60/812014260.db2.gz	AVPLWUGHRNCWDQ-RDDDGLTNSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)c2c1CCCC2)[C@H](O)C(=O)[O-]	ZINC001229220868	812019537	/nfs/dbraw/zinc/01/95/37/812019537.db2.gz	KOOFVQAXCIEBGI-WPRPVWTQSA-N	-2	0	340.288	-0.497	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CNC(=O)C2)[C@H](O)C(=O)[O-]	ZINC001229636061	812045499	/nfs/dbraw/zinc/04/54/99/812045499.db2.gz	JRLSDAHMJUESQH-MFKMUULPSA-N	-2	0	337.284	-0.699	20	0		EBADRL
CC(=O)Nc1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229719174	812050680	/nfs/dbraw/zinc/05/06/80/812050680.db2.gz	AIYCCSGSLDXDCK-PRHODGIISA-N	-2	0	341.272	-0.208	20	0		EBADRL
CC(=O)Nc1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001229719226	812051628	/nfs/dbraw/zinc/05/16/28/812051628.db2.gz	BDCCDKJUHZTGOO-SECBINFHSA-N	-2	0	335.205	-0.274	20	0		EBADRL
CCOC(=O)c1cnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001229855912	812059448	/nfs/dbraw/zinc/05/94/48/812059448.db2.gz	GEEAVOAWKBIXTP-VXNVDRBHSA-N	-2	0	342.260	-0.905	20	0		EBADRL
CCOC(=O)c1ccnnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230911208	812254770	/nfs/dbraw/zinc/25/47/70/812254770.db2.gz	WSNYTGJUGIQNCH-APPZFPTMSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncnc2c1CSC2)[C@H](O)C(=O)[O-]	ZINC001233896568	812365312	/nfs/dbraw/zinc/36/53/12/812365312.db2.gz	SAPHROVICGBSON-CDUCUWFYSA-N	-2	0	328.302	-0.335	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1C(=O)NCC2)[C@@H](O)C(=O)[O-]	ZINC001234654111	812447966	/nfs/dbraw/zinc/44/79/66/812447966.db2.gz	MNYALWARQAGPES-QPUJVOFHSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C(Oc1cccc2c1C(=O)NCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001234656107	812448040	/nfs/dbraw/zinc/44/80/40/812448040.db2.gz	QWEDHHWOQOVXJP-MRVPVSSYSA-N	-2	0	331.217	-0.652	20	0		EBADRL
O=[P@@]([O-])(O)CC[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260179024	812829500	/nfs/dbraw/zinc/82/95/00/812829500.db2.gz	ZFJSSRYTWGZROR-UHFFFAOYSA-N	-2	0	341.673	-0.766	20	0		EBADRL
CC(C)(C)OC(=O)NC1(C(=O)NCCOP(=O)([O-])[O-])COC1	ZINC001181516341	833162368	/nfs/dbraw/zinc/16/23/68/833162368.db2.gz	IQMBZOKHXDHZEB-UHFFFAOYSA-N	-2	0	340.269	-0.494	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@@H]1CN(Cc2ccccc2)CC1=O	ZINC001181571328	833166935	/nfs/dbraw/zinc/16/69/35/833166935.db2.gz	KYUWANSLWJHAOV-GFCCVEGCSA-N	-2	0	342.288	-0.087	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1C(=O)[O-]	ZINC001185320429	833355514	/nfs/dbraw/zinc/35/55/14/833355514.db2.gz	MUCKEJLGKGMKTH-VIFPVBQESA-N	-2	0	346.342	-0.019	20	0		EBADRL
O=C1Cc2cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc2N1	ZINC001186953970	833443854	/nfs/dbraw/zinc/44/38/54/833443854.db2.gz	LHXOJBPDJLGYID-UHFFFAOYSA-N	-2	0	336.262	-0.431	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@H]1[C@@H](O)CCN1Cc1ccccc1	ZINC001143675663	830155969	/nfs/dbraw/zinc/15/59/69/830155969.db2.gz	JPWWBYFWOABQSZ-QWHCGFSZSA-N	-2	0	344.304	-0.153	20	0		EBADRL
O=C([O-])c1sc(C(=O)NCc2n[nH]c(=O)[n-]2)c2c1OCCO2	ZINC001152714592	831184495	/nfs/dbraw/zinc/18/44/95/831184495.db2.gz	ZTSXZZPSJKKGNO-UHFFFAOYSA-N	-2	0	326.290	-0.029	20	0		EBADRL
O=C(c1ccc(NCCOP(=O)([O-])[O-])nc1)N1CCNC(=O)C1	ZINC001168589684	832427888	/nfs/dbraw/zinc/42/78/88/832427888.db2.gz	MCOMYYGKCXIVQB-UHFFFAOYSA-N	-2	0	344.264	-0.825	20	0		EBADRL
NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC001187762973	833965533	/nfs/dbraw/zinc/96/55/33/833965533.db2.gz	VOYSNUJPGQVMLM-UHFFFAOYSA-N	-2	0	345.362	-0.433	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccccc1OP(=O)([O-])[O-]	ZINC001189900121	834207323	/nfs/dbraw/zinc/20/73/23/834207323.db2.gz	QZPQKZQFDGJKGZ-UHFFFAOYSA-N	-4	0	341.149	-0.003	20	0		EBADRL
CC(=O)N1CC(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1	ZINC001189941192	834212047	/nfs/dbraw/zinc/21/20/47/834212047.db2.gz	DBSWWIXFZJNITM-UHFFFAOYSA-N	-2	0	342.329	-0.408	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cncc(N2CCOCC2)n1	ZINC001190772792	834337617	/nfs/dbraw/zinc/33/76/17/834337617.db2.gz	KTJFYNXNTIREMS-UHFFFAOYSA-N	-2	0	332.253	-0.848	20	0		EBADRL
O=C([O-])COc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1	ZINC001192739958	834724619	/nfs/dbraw/zinc/72/46/19/834724619.db2.gz	DKDJIJBWWQTVTK-UHFFFAOYSA-N	-2	0	325.320	-0.726	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c(Cl)cc1F	ZINC001194022853	834999854	/nfs/dbraw/zinc/99/98/54/834999854.db2.gz	WFUSRCHYRVPHSH-SSDOTTSWSA-N	-2	0	338.700	-0.114	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001205688651	836586291	/nfs/dbraw/zinc/58/62/91/836586291.db2.gz	CBMAFCQKLVFAHJ-KOLCDFICSA-N	-3	0	326.257	-0.036	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCS(=O)(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001206103812	836623457	/nfs/dbraw/zinc/62/34/57/836623457.db2.gz	VAGIYCWONBJQEW-GXSJLCMTSA-N	-2	0	346.313	-0.503	20	0		EBADRL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O	ZINC001611334236	970996978	/nfs/dbraw/zinc/99/69/78/970996978.db2.gz	NMBGSXLHMBRJLG-VHSXEESVSA-N	-2	0	345.315	-0.333	20	0		EBADRL
C[C@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1nn(C)cc1[O-]	ZINC001575250973	949123104	/nfs/dbraw/zinc/12/31/04/949123104.db2.gz	JOAMJGSLAZUWOV-BQBZGAKWSA-N	-2	0	332.328	-0.664	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]OCc2ccccn2)CCS(=O)(=O)CC1	ZINC001594867101	954319490	/nfs/dbraw/zinc/31/94/90/954319490.db2.gz	IRMWLCROKMJORD-UHFFFAOYSA-N	-2	0	328.346	-0.091	20	0		EBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1nnc[nH]1	ZINC001594888370	954484553	/nfs/dbraw/zinc/48/45/53/954484553.db2.gz	CCOVJRZSPDPWOQ-MUWHJKNJSA-N	-2	0	349.269	-0.530	20	0		EBADRL
CNS(=O)(=O)c1cc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)ccc1[O-]	ZINC001593799259	954846866	/nfs/dbraw/zinc/84/68/66/954846866.db2.gz	WHXXAHMPKCTACA-CYBMUJFWSA-N	-2	0	344.345	-0.127	20	0		EBADRL
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1ncc[n-]1)C[C@H]2C(=O)[O-]	ZINC001593826585	955107369	/nfs/dbraw/zinc/10/73/69/955107369.db2.gz	TYZOTNWCHFVEGG-JVVWGOMOSA-N	-2	0	343.361	-0.316	20	0		EBADRL
Cn1cnnc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594559214	955792319	/nfs/dbraw/zinc/79/23/19/955792319.db2.gz	ATDUPJQUONZFSZ-VXNVDRBHSA-N	-2	0	335.286	-0.089	20	0		EBADRL
O=C([O-])/C=C/c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1	ZINC000013028482	956907974	/nfs/dbraw/zinc/90/79/74/956907974.db2.gz	CQPIRIZHRVFCBB-XAIJNJMXSA-N	-2	0	341.341	-0.007	20	0		EBADRL
C[C@@](O)(C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-]	ZINC001603263456	972449930	/nfs/dbraw/zinc/44/99/30/972449930.db2.gz	LLNRGWVGFDWDEC-GIPWTMENSA-N	-2	0	336.391	-0.187	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)O[C@@H]1CCN(CC(=O)[O-])C1=O	ZINC001588786277	961345440	/nfs/dbraw/zinc/34/54/40/961345440.db2.gz	ODJJSLQISAYODX-ZCFIWIBFSA-N	-2	0	340.254	-0.328	20	0		EBADRL
CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001571173526	962070924	/nfs/dbraw/zinc/07/09/24/962070924.db2.gz	VEJXAKCGUUPENM-IUCAKERBSA-N	-2	0	326.357	-0.308	20	0		EBADRL
O=C([O-])CN1CCC[C@@H](C(=O)NCCc2n[n-]c(=S)o2)C1=O	ZINC001574719908	962755034	/nfs/dbraw/zinc/75/50/34/962755034.db2.gz	NYWNUAFEFLYXDP-ZETCQYMHSA-N	-2	0	328.350	-0.660	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1	ZINC001574169810	962759215	/nfs/dbraw/zinc/75/92/15/962759215.db2.gz	KXHFRHSXOVRQHU-UWVGGRQHSA-N	-2	0	339.352	-0.703	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-]	ZINC000319814330	970574666	/nfs/dbraw/zinc/57/46/66/970574666.db2.gz	JBRUCHCSDZHZET-SNVBAGLBSA-N	-2	0	342.329	-0.223	20	0		EBADRL
O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1nc2ccccc2[n-]1	ZINC001606296486	973701252	/nfs/dbraw/zinc/70/12/52/973701252.db2.gz	HBHNRWPUQHHFBT-UHFFFAOYSA-N	-2	0	332.359	-0.164	20	0		EBADRL
CC(C)[C@H](NC(=O)CN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)C(=O)[O-]	ZINC001591866310	976169299	/nfs/dbraw/zinc/16/92/99/976169299.db2.gz	HBJDYIRTKMYADM-ONGXEEELSA-N	-2	0	325.369	-0.085	20	0		EBADRL
CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-]	ZINC001592150107	977020571	/nfs/dbraw/zinc/02/05/71/977020571.db2.gz	UAGJVAOHIDNRGZ-SSDOTTSWSA-N	-2	0	336.395	-0.130	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC001592801159	979463895	/nfs/dbraw/zinc/46/38/95/979463895.db2.gz	YIYLQELYLIXLLA-USWWRNFRSA-N	-2	0	345.373	-0.317	20	0		EBADRL
CC[C@](COC)([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(=O)OC	ZINC001595199456	979941133	/nfs/dbraw/zinc/94/11/33/979941133.db2.gz	HJSNDXXTSPDGAI-GFCCVEGCSA-N	-2	0	325.383	-0.015	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O	ZINC001595371748	980854741	/nfs/dbraw/zinc/85/47/41/980854741.db2.gz	MVHJYCXBNSHTFH-SNVBAGLBSA-N	-2	0	348.362	-0.245	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1=O	ZINC001595371815	980855382	/nfs/dbraw/zinc/85/53/82/980855382.db2.gz	OVBBOMSMVCSRFI-GFCCVEGCSA-N	-2	0	342.333	-0.306	20	0		EBADRL
CCCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1	ZINC001595523694	981349247	/nfs/dbraw/zinc/34/92/47/981349247.db2.gz	PCBKQAHUGSVZAM-SNVBAGLBSA-N	-2	0	334.394	-0.054	20	0		EBADRL
C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001599902493	984865151	/nfs/dbraw/zinc/86/51/51/984865151.db2.gz	AVFHEBPKDQQQSD-QMMMGPOBSA-N	-2	0	346.361	-0.045	20	0		EBADRL
C[C@H]1OCCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H]1C(=O)[O-]	ZINC001599936583	985402914	/nfs/dbraw/zinc/40/29/14/985402914.db2.gz	XFGAUBPBKSLSSR-SCZZXKLOSA-N	-2	0	336.366	-0.798	20	0		EBADRL
C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)[C@@H](C)CO1	ZINC001594531992	986127475	/nfs/dbraw/zinc/12/74/75/986127475.db2.gz	RPGSYMAJDWPMIK-DTWKUNHWSA-N	-2	0	333.366	-0.240	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O	ZINC001589451945	986846882	/nfs/dbraw/zinc/84/68/82/986846882.db2.gz	KEQZSBXYQZWCLX-RKDXNWHRSA-N	-2	0	348.377	-0.529	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O	ZINC001589454355	986878157	/nfs/dbraw/zinc/87/81/57/986878157.db2.gz	VGDJLAGPAVHXIR-XHNCKOQMSA-N	-2	0	341.407	-0.491	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1	ZINC001589454824	986885758	/nfs/dbraw/zinc/88/57/58/986885758.db2.gz	RPCWVSHSLFAVAW-RQJHMYQMSA-N	-2	0	333.370	-0.403	20	0		EBADRL
CSCC[C@@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)[O-]	ZINC001599796533	988106392	/nfs/dbraw/zinc/10/63/92/988106392.db2.gz	POYWSNOOXZUSMR-MRVPVSSYSA-N	-2	0	337.379	-0.548	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)CCCS(C)(=O)=O)C(=O)[O-]	ZINC001590798041	990618442	/nfs/dbraw/zinc/61/84/42/990618442.db2.gz	JMNKZJWNPVWLEU-UHFFFAOYSA-N	-2	0	329.396	-0.632	20	0		EBADRL
CN(C)c1ncc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1	ZINC001598359214	991488614	/nfs/dbraw/zinc/48/86/14/991488614.db2.gz	JXLIODYESFPVNV-UHFFFAOYSA-N	-2	0	326.338	-0.376	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)NCCc1cccc(C(=O)[O-])n1	ZINC001598471151	992027614	/nfs/dbraw/zinc/02/76/14/992027614.db2.gz	NCJWGKIKYNJEPS-UHFFFAOYSA-N	-2	0	331.350	-0.437	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1	ZINC001598471481	992033113	/nfs/dbraw/zinc/03/31/13/992033113.db2.gz	PLOAEYKBHXDSMK-JTQLQIEISA-N	-2	0	338.382	-0.503	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)cn1	ZINC001599760859	992119959	/nfs/dbraw/zinc/11/99/59/992119959.db2.gz	PUKWKQYCOKMNGE-LBPRGKRZSA-N	-2	0	329.334	-0.573	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598684923	994991955	/nfs/dbraw/zinc/99/19/55/994991955.db2.gz	UNXFHLYRSVPREB-UHFFFAOYSA-N	-2	0	332.334	-0.028	20	0		EBADRL
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598688598	995030123	/nfs/dbraw/zinc/03/01/23/995030123.db2.gz	GUDOAMOLTDMCCA-NKWVEPMBSA-N	-2	0	332.334	-0.030	20	0		EBADRL
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598688603	995030294	/nfs/dbraw/zinc/03/02/94/995030294.db2.gz	GUDOAMOLTDMCCA-RQJHMYQMSA-N	-2	0	332.334	-0.030	20	0		EBADRL
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001598776744	995937372	/nfs/dbraw/zinc/93/73/72/995937372.db2.gz	JMUDGHXHNBILAN-WPRPVWTQSA-N	-2	0	348.315	-0.499	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)[O-]	ZINC001598840099	996518261	/nfs/dbraw/zinc/51/82/61/996518261.db2.gz	NNPPGYSIRFJAMH-JTQLQIEISA-N	-2	0	345.329	-0.392	20	0		EBADRL
COC(=O)C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCOC1	ZINC001598844165	996550180	/nfs/dbraw/zinc/55/01/80/996550180.db2.gz	ZXBGDLRQLLQRDJ-NSHDSACASA-N	-2	0	334.306	-0.627	20	0		EBADRL
COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC001598860036	996666861	/nfs/dbraw/zinc/66/68/61/996666861.db2.gz	ISXKNLOUTXDXKW-VIFPVBQESA-N	-2	0	342.270	-0.224	20	0		EBADRL
CO[N-]C(=O)CNC(=O)NCCc1ccc(C(=O)[O-])cc1OC	ZINC001599321157	997583691	/nfs/dbraw/zinc/58/36/91/997583691.db2.gz	TZCDWXYWJWTGIR-UHFFFAOYSA-N	-2	0	325.321	-0.087	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)C[C@@H](C(=O)[O-])O1	ZINC001594454376	999656547	/nfs/dbraw/zinc/65/65/47/999656547.db2.gz	NGDQXLBTGMMMGZ-RCWTZXSCSA-N	-2	0	342.348	-0.744	20	0		EBADRL
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260392464	1130544860	/nfs/dbraw/zinc/54/48/60/1130544860.db2.gz	AAWHMNUXZSPKGB-UHFFFAOYSA-N	-2	0	340.317	-0.276	20	0		EBADRL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000261622042	304114999	/nfs/dbraw/zinc/11/49/99/304114999.db2.gz	CFZQTBGRHQJTCO-QMMMGPOBSA-N	-2	0	340.317	-0.326	20	0		EBADRL
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000569432687	376434338	/nfs/dbraw/zinc/43/43/38/376434338.db2.gz	PORJMTJMBGJFPV-UHFFFAOYSA-N	-2	0	340.279	-0.027	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)[O-]	ZINC000274982323	379729349	/nfs/dbraw/zinc/72/93/49/379729349.db2.gz	LQRMOIGDZBKDBS-MRVPVSSYSA-N	-2	0	342.329	-0.365	20	0		EBADRL
CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000275068483	379734370	/nfs/dbraw/zinc/73/43/70/379734370.db2.gz	GQBXXUKHZQCEQC-ZJUUUORDSA-N	-2	0	331.350	-0.301	20	0		EBADRL
CCn1nccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275202519	379742409	/nfs/dbraw/zinc/74/24/09/379742409.db2.gz	YZTJHHMPLMJEQT-BDAKNGLRSA-N	-2	0	331.350	-0.301	20	0		EBADRL
CC(C)(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000275356771	379753081	/nfs/dbraw/zinc/75/30/81/379753081.db2.gz	WXTODGXSSDMHOV-UHFFFAOYSA-N	-2	0	342.333	-0.175	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000614327780	379921352	/nfs/dbraw/zinc/92/13/52/379921352.db2.gz	ZUTHKYUYJSAPKL-SSDOTTSWSA-N	-2	0	335.290	-0.338	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000614327630	379922299	/nfs/dbraw/zinc/92/22/99/379922299.db2.gz	NEMBMMVPGCTGFT-SSDOTTSWSA-N	-2	0	349.317	-0.029	20	0		EBADRL
CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C(N)=O)n1	ZINC000278707281	379931175	/nfs/dbraw/zinc/93/11/75/379931175.db2.gz	SNRPGSYXSMRNPM-UHFFFAOYSA-N	-2	0	341.349	-0.161	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC000282278969	380066208	/nfs/dbraw/zinc/06/62/08/380066208.db2.gz	QNMCXQWRHHJTAN-UHFFFAOYSA-N	-2	0	347.315	-0.974	20	0		EBADRL
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547555703	380143403	/nfs/dbraw/zinc/14/34/03/380143403.db2.gz	GSJLTJSUIMCBIO-MRVPVSSYSA-N	-2	0	328.302	-0.227	20	0		EBADRL
CCn1cnc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000547925182	380170683	/nfs/dbraw/zinc/17/06/83/380170683.db2.gz	RCSHXMCZWGZSBG-LBPRGKRZSA-N	-2	0	331.350	-0.157	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])o1	ZINC000547940339	380173243	/nfs/dbraw/zinc/17/32/43/380173243.db2.gz	YACUDTASRJLIKP-GFCCVEGCSA-N	-2	0	349.317	-0.090	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000548245003	380193603	/nfs/dbraw/zinc/19/36/03/380193603.db2.gz	XIEKXUKZEBSODA-CYBMUJFWSA-N	-2	0	343.361	-0.088	20	0		EBADRL
COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274884369	380566234	/nfs/dbraw/zinc/56/62/34/380566234.db2.gz	DMDGMVQUNLVROK-SNVBAGLBSA-N	-2	0	345.329	-0.180	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000315701681	380591016	/nfs/dbraw/zinc/59/10/16/380591016.db2.gz	PAFJXJRKGXYPEV-UHFFFAOYSA-N	-2	0	329.290	-0.984	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOC(F)(F)F)C[C@H]1C(=O)[O-]	ZINC000584502042	381165894	/nfs/dbraw/zinc/16/58/94/381165894.db2.gz	HKCVCMXLUCLYRQ-RNFRBKRXSA-N	-2	0	349.283	-0.040	20	0		EBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)CCOC(F)(F)F)C[C@H]1C(=O)[O-]	ZINC000584502041	381166543	/nfs/dbraw/zinc/16/65/43/381166543.db2.gz	HKCVCMXLUCLYRQ-NKWVEPMBSA-N	-2	0	349.283	-0.040	20	0		EBADRL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1F	ZINC000037908970	381188902	/nfs/dbraw/zinc/18/89/02/381188902.db2.gz	QRBXSSXTDQWDJU-UHFFFAOYSA-N	-2	0	326.252	-0.417	20	0		EBADRL
CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])C1	ZINC000572257101	381654497	/nfs/dbraw/zinc/65/44/97/381654497.db2.gz	CFXCWUUHUPMFQH-IQJOONFLSA-N	-2	0	339.348	-0.126	20	0		EBADRL
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000274992783	154633328	/nfs/dbraw/zinc/63/33/28/154633328.db2.gz	ZKJRDKGNCAJZHW-LHLIQPBNSA-N	-2	0	342.329	-0.052	20	0		EBADRL
CC(C)[C@@H](CNC(=O)N=c1ncn(CC(=O)N(C)C)[n-]1)C(=O)[O-]	ZINC000653539797	419800128	/nfs/dbraw/zinc/80/01/28/419800128.db2.gz	LTFSPLQWYFLUII-SECBINFHSA-N	-2	0	326.357	-0.734	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000656513487	420897822	/nfs/dbraw/zinc/89/78/22/420897822.db2.gz	YTPSWWGQIGJPCU-VIFPVBQESA-N	-2	0	344.345	-0.452	20	0		EBADRL
CCn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C(N)=O)n1	ZINC000430975830	265158628	/nfs/dbraw/zinc/15/86/28/265158628.db2.gz	OMQFSBOYUYAPTQ-UHFFFAOYSA-N	-2	0	327.322	-0.171	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274944143	289033459	/nfs/dbraw/zinc/03/34/59/289033459.db2.gz	RLVPEQZLVYOKAG-SNVBAGLBSA-N	-2	0	344.345	-0.405	20	0		EBADRL
CC(C)(C)n1nnc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)n1	ZINC000666974250	546047037	/nfs/dbraw/zinc/04/70/37/546047037.db2.gz	LSRZSUJBSFJKIX-UHFFFAOYSA-N	-2	0	346.398	-0.097	20	0		EBADRL
Cc1noc2ncc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc12	ZINC000681581851	546307968	/nfs/dbraw/zinc/30/79/68/546307968.db2.gz	GOYIXKDYKKEENW-UHFFFAOYSA-N	-2	0	329.290	-0.309	20	0		EBADRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000737653135	582616774	/nfs/dbraw/zinc/61/67/74/582616774.db2.gz	FUQLQOKTJFWEHA-LURJTMIESA-N	-2	0	331.302	-0.077	20	0		EBADRL
CC(C)C(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736345486	582931163	/nfs/dbraw/zinc/93/11/63/582931163.db2.gz	QAWQYWNVLLIGQC-SNVBAGLBSA-N	-2	0	334.394	-0.056	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])c1	ZINC000737359772	583005621	/nfs/dbraw/zinc/00/56/21/583005621.db2.gz	CYPWUOQKTDZBGV-UHFFFAOYSA-N	-2	0	343.361	-0.197	20	0		EBADRL
CNC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCC1	ZINC000737535425	583013139	/nfs/dbraw/zinc/01/31/39/583013139.db2.gz	OOOCBWWKKYDAFJ-UHFFFAOYSA-N	-2	0	347.393	-0.940	20	0		EBADRL
COC(=O)Cn1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cn1	ZINC000737631966	583023495	/nfs/dbraw/zinc/02/34/95/583023495.db2.gz	YCRLIPBORFUCSM-UHFFFAOYSA-N	-2	0	343.321	-0.413	20	0		EBADRL
COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000737638322	583024032	/nfs/dbraw/zinc/02/40/32/583024032.db2.gz	JOCNCJZKFJIATJ-UHFFFAOYSA-N	-2	0	336.347	-0.003	20	0		EBADRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000738274734	583047319	/nfs/dbraw/zinc/04/73/19/583047319.db2.gz	HSYXWRFFUUFLON-UHFFFAOYSA-N	-2	0	330.318	-0.828	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776445174	583404430	/nfs/dbraw/zinc/40/44/30/583404430.db2.gz	SWQJBURXPWDWED-QMMMGPOBSA-N	-2	0	329.286	-0.437	20	0		EBADRL
Cn1c(Cl)ncc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000776634772	583407679	/nfs/dbraw/zinc/40/76/79/583407679.db2.gz	NCDIYKKMZMXHOZ-YFKPBYRVSA-N	-2	0	325.730	-0.473	20	0		EBADRL
COCCS(=O)(=O)[N-]C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	ZINC000815945776	583713262	/nfs/dbraw/zinc/71/32/62/583713262.db2.gz	SMNNDULCUNCPDX-ZETCQYMHSA-N	-2	0	334.316	-0.218	20	0		EBADRL
CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823755106	583836859	/nfs/dbraw/zinc/83/68/59/583836859.db2.gz	WVFCMXDLSORCDZ-SECBINFHSA-N	-2	0	349.409	-0.263	20	0		EBADRL
C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1	ZINC000825414904	583860472	/nfs/dbraw/zinc/86/04/72/583860472.db2.gz	BTJKILBMJGHAER-SSDOTTSWSA-N	-2	0	333.308	-0.217	20	0		EBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000826111076	583879228	/nfs/dbraw/zinc/87/92/28/583879228.db2.gz	YLKDZCHUXZRUGZ-XHNCKOQMSA-N	-2	0	340.340	-0.397	20	0		EBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000826111075	583879367	/nfs/dbraw/zinc/87/93/67/583879367.db2.gz	YLKDZCHUXZRUGZ-DJLDLDEBSA-N	-2	0	340.340	-0.397	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000827303862	583918670	/nfs/dbraw/zinc/91/86/70/583918670.db2.gz	JVFUHXVADNEVAJ-MRVPVSSYSA-N	-2	0	343.361	-0.301	20	0		EBADRL
CN(Cc1ccccc1NC(=O)C(=O)NCc1nnn[n-]1)C(=O)[O-]	ZINC000828394364	583938314	/nfs/dbraw/zinc/93/83/14/583938314.db2.gz	VEMPBTBCINDXAC-UHFFFAOYSA-N	-2	0	333.308	-0.436	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000828670028	583944696	/nfs/dbraw/zinc/94/46/96/583944696.db2.gz	AYUKNHHKSMYSCL-NSHDSACASA-N	-2	0	340.329	-0.522	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000828963711	583948984	/nfs/dbraw/zinc/94/89/84/583948984.db2.gz	BJDSTSDZGRBABI-JTQLQIEISA-N	-2	0	327.334	-0.982	20	0		EBADRL
COCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000829018823	583950077	/nfs/dbraw/zinc/95/00/77/583950077.db2.gz	WFSXJYMJDYDBSI-QMMMGPOBSA-N	-2	0	326.396	-0.436	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)n[n-]1	ZINC000829699602	583957181	/nfs/dbraw/zinc/95/71/81/583957181.db2.gz	MHYUPHXOSGUPNT-NKWVEPMBSA-N	-2	0	331.354	-0.027	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000830857821	583971577	/nfs/dbraw/zinc/97/15/77/583971577.db2.gz	WRANOIQDBKPVGW-GFCCVEGCSA-N	-2	0	348.356	-0.066	20	0		EBADRL
Cn1cc(CCC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000830998904	583973826	/nfs/dbraw/zinc/97/38/26/583973826.db2.gz	CZWGNRVMHZABLV-JTQLQIEISA-N	-2	0	330.366	-0.449	20	0		EBADRL
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000830999284	583973977	/nfs/dbraw/zinc/97/39/77/583973977.db2.gz	HJUDIZYPVPRMRU-VMZHVLLKSA-N	-2	0	328.350	-0.368	20	0		EBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)c1cnccn1	ZINC000831388256	583982408	/nfs/dbraw/zinc/98/24/08/583982408.db2.gz	UXOGYWWRUWEJST-QMMMGPOBSA-N	-2	0	330.322	-0.950	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)Cc1ccon1	ZINC000831473770	583983262	/nfs/dbraw/zinc/98/32/62/583983262.db2.gz	GFCNDGRTXJNPSW-JTQLQIEISA-N	-2	0	347.349	-0.220	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1c(C)[nH]c(C(=O)[O-])c1C	ZINC000831710360	583990351	/nfs/dbraw/zinc/99/03/51/583990351.db2.gz	VVNQQJRGYKBKQZ-UHFFFAOYSA-N	-2	0	333.366	-0.117	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)C1	ZINC000831747648	583991091	/nfs/dbraw/zinc/99/10/91/583991091.db2.gz	JWANSNCOPXNVBV-MRVPVSSYSA-N	-2	0	349.752	-0.081	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831767869	583991349	/nfs/dbraw/zinc/99/13/49/583991349.db2.gz	UELFFNQHEKNLKD-MNOVXSKESA-N	-2	0	337.394	-0.014	20	0		EBADRL
O=C([O-])NCc1ccc(C(=O)[N-]S(=O)(=O)c2cnccn2)o1	ZINC000832702847	584000959	/nfs/dbraw/zinc/00/09/59/584000959.db2.gz	YMGSZIMXKVOPLK-UHFFFAOYSA-N	-2	0	326.290	-0.044	20	0		EBADRL
NC(=O)c1sccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000833088543	584005283	/nfs/dbraw/zinc/00/52/83/584005283.db2.gz	ZBTHXGXTZNBAHC-UHFFFAOYSA-N	-2	0	330.347	-0.071	20	0		EBADRL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1	ZINC000834291427	584030884	/nfs/dbraw/zinc/03/08/84/584030884.db2.gz	YUWMUESCUWBDIL-UWVGGRQHSA-N	-2	0	336.348	-0.471	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851704084	584200838	/nfs/dbraw/zinc/20/08/38/584200838.db2.gz	SGZIWWKCJYJCAG-ACZMJKKPSA-N	-2	0	340.254	-0.170	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000863956957	584381121	/nfs/dbraw/zinc/38/11/21/584381121.db2.gz	WAWYWCHNKNDLMN-VIFPVBQESA-N	-2	0	325.383	-0.158	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863962362	584381712	/nfs/dbraw/zinc/38/17/12/584381712.db2.gz	IPSQQNAZUMAYMK-UHFFFAOYSA-N	-2	0	345.333	-0.566	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1)OC	ZINC000863964547	584382140	/nfs/dbraw/zinc/38/21/40/584382140.db2.gz	LTGGXDLFBGXWFZ-GHMZBOCLSA-N	-2	0	337.394	-0.015	20	0		EBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000863964350	584382199	/nfs/dbraw/zinc/38/21/99/584382199.db2.gz	RMQYQUALFLHXPM-QMMMGPOBSA-N	-2	0	331.350	-0.240	20	0		EBADRL
O=C(CCN1CCCC1=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000739243690	599793685	/nfs/dbraw/zinc/79/36/85/599793685.db2.gz	JUTGDKAUPNIDII-UHFFFAOYSA-N	-2	0	347.393	-0.844	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1C(N)=O	ZINC000738652475	600440590	/nfs/dbraw/zinc/44/05/90/600440590.db2.gz	LPDRUTZNHUDAHC-ZJUUUORDSA-N	-2	0	326.330	-0.380	20	0		EBADRL
Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738935133	600460634	/nfs/dbraw/zinc/46/06/34/600460634.db2.gz	ZKDJRAIVQPMIOS-UHFFFAOYSA-N	-2	0	326.334	-0.038	20	0		EBADRL
Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000738813627	600462559	/nfs/dbraw/zinc/46/25/59/600462559.db2.gz	BPPDYIVNIUUMIP-UHFFFAOYSA-N	-2	0	336.391	-0.081	20	0		EBADRL
O=C([O-])N1CCC[C@@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000740386726	602510379	/nfs/dbraw/zinc/51/03/79/602510379.db2.gz	DJPAINBJHJGZSQ-VIFPVBQESA-N	-2	0	334.336	-0.423	20	0		EBADRL
CCS(=O)(=O)[N-]C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1	ZINC000739516405	602686157	/nfs/dbraw/zinc/68/61/57/602686157.db2.gz	HYAUXINYYYMPKH-UHFFFAOYSA-N	-2	0	331.354	-0.328	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000739804632	602998121	/nfs/dbraw/zinc/99/81/21/602998121.db2.gz	HPUTXWFTIRZJKG-SFYZADRCSA-N	-2	0	328.412	-0.143	20	0		EBADRL
CNC(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000057124732	649960205	/nfs/dbraw/zinc/96/02/05/649960205.db2.gz	OSQGJXMUWZPCTA-UHFFFAOYSA-N	-2	0	331.306	-0.722	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(=O)[O-]	ZINC000322746371	649996197	/nfs/dbraw/zinc/99/61/97/649996197.db2.gz	WKONGCVQWBCBSW-SECBINFHSA-N	-2	0	341.297	-0.001	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@@H]2C)c1[O-]	ZINC000965916994	724540108	/nfs/dbraw/zinc/54/01/08/724540108.db2.gz	NVNRQPVTSSEJHQ-CBAPKCEASA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)c1[O-]	ZINC000973044274	725623325	/nfs/dbraw/zinc/62/33/25/725623325.db2.gz	SFSPGWDHSAYYGZ-QMMMGPOBSA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCC[C@@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001027370732	730210241	/nfs/dbraw/zinc/21/02/41/730210241.db2.gz	PXQARFLPYSENHZ-SECBINFHSA-N	-2	0	335.368	-0.016	20	0		EBADRL
O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccc2oc(=O)nc-2[n-]1	ZINC001038920015	731392719	/nfs/dbraw/zinc/39/27/19/731392719.db2.gz	GIXQMWVALGOUIG-ZETCQYMHSA-N	-2	0	345.319	-0.244	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)[C@H]3C2)c1[O-]	ZINC001042015526	732277327	/nfs/dbraw/zinc/27/73/27/732277327.db2.gz	JANHNKMKGGSQCG-ZJUUUORDSA-N	-2	0	347.379	-0.016	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(Cc4n[nH]c(=O)[n-]4)[C@H]3C2)c1[O-]	ZINC001042015522	732277358	/nfs/dbraw/zinc/27/73/58/732277358.db2.gz	JANHNKMKGGSQCG-UWVGGRQHSA-N	-2	0	347.379	-0.016	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])nc1	ZINC001222969276	811674595	/nfs/dbraw/zinc/67/45/95/811674595.db2.gz	NZQHCEUQFANGMK-SECBINFHSA-N	-2	0	335.205	-0.618	20	0		EBADRL
CSc1nccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001224108801	811745297	/nfs/dbraw/zinc/74/52/97/811745297.db2.gz	DAGXKKPAJJEQHN-APPZFPTMSA-N	-2	0	330.318	-0.222	20	0		EBADRL
O=C(OCc1ccc(-n2ccnn2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224193184	811749356	/nfs/dbraw/zinc/74/93/56/811749356.db2.gz	VJUDDPPNRFFWOG-LLVKDONJSA-N	-2	0	343.232	-0.219	20	0		EBADRL
O=C(OCCCO[C@H]1CCCCO1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224525969	811763508	/nfs/dbraw/zinc/76/35/08/811763508.db2.gz	RKCMEYXSBCRGBL-ZJUUUORDSA-N	-2	0	328.254	-0.067	20	0		EBADRL
CN(C)Cc1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225281866	811801743	/nfs/dbraw/zinc/80/17/43/811801743.db2.gz	LCFCPBKLQOZVSR-UFBFGSQYSA-N	-2	0	326.305	-0.415	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001225518219	811815896	/nfs/dbraw/zinc/81/58/96/811815896.db2.gz	VDCCNXZDTASXLJ-WCBMZHEXSA-N	-3	0	348.285	-0.625	20	0		EBADRL
COC(=O)c1ccncc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225518883	811816066	/nfs/dbraw/zinc/81/60/66/811816066.db2.gz	KILAUVGGSORLLB-GMSGAONNSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccnc(C(F)(F)F)n1)[C@H](O)C(=O)[O-]	ZINC001225833211	811832308	/nfs/dbraw/zinc/83/23/08/811832308.db2.gz	ARBDYYWRUSOFLN-FBCQKBJTSA-N	-2	0	338.194	-0.063	20	0		EBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001225981770	811841215	/nfs/dbraw/zinc/84/12/15/811841215.db2.gz	OXKVGQHNORPHIH-ONGXEEELSA-N	-2	0	346.313	-0.468	20	0		EBADRL
COc1cnc(=S)[nH]c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226245481	811853423	/nfs/dbraw/zinc/85/34/23/811853423.db2.gz	KCEMCKCLODWLIG-SCSAIBSYSA-N	-2	0	326.223	-0.851	20	0		EBADRL
Cn1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC001226242220	811854667	/nfs/dbraw/zinc/85/46/67/811854667.db2.gz	KUTBXTHXCYAKSE-NVNXEXLPSA-N	-2	0	340.210	-0.119	20	0		EBADRL
COC(=O)c1c(O)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227152855	811908005	/nfs/dbraw/zinc/90/80/05/811908005.db2.gz	FFFRHGRBSAULFH-UPONEAKYSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COc1cnnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl	ZINC001227257813	811913045	/nfs/dbraw/zinc/91/30/45/811913045.db2.gz	LEDZXMUXDHXRCV-SPGJFGJESA-N	-2	0	334.668	-0.420	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ncsc21)[C@@H](O)C(=O)[O-]	ZINC001227612717	811929350	/nfs/dbraw/zinc/92/93/50/811929350.db2.gz	ZPBKYBMEZJOQIZ-NQXXGFSBSA-N	-3	0	343.273	-0.766	20	0		EBADRL
COC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227599532	811929479	/nfs/dbraw/zinc/92/94/79/811929479.db2.gz	CQRLCEDHDINHJQ-LDYMZIIASA-N	-2	0	326.257	-0.085	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001227830521	811944301	/nfs/dbraw/zinc/94/43/01/811944301.db2.gz	SCVCZAWFYIJOJT-LDWIPMOCSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)c1ccc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228192453	811967707	/nfs/dbraw/zinc/96/77/07/811967707.db2.gz	KPNUCFLKQYOQGI-LDYMZIIASA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(Br)nn1)[C@@H](O)C(=O)[O-]	ZINC001228282153	811973918	/nfs/dbraw/zinc/97/39/18/811973918.db2.gz	HRBZDLHCFLEJGC-RNHFCUEFSA-N	-2	0	349.093	-0.319	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(Br)nn1)[C@@H](O)C(=O)[O-]	ZINC001228282154	811974116	/nfs/dbraw/zinc/97/41/16/811974116.db2.gz	HRBZDLHCFLEJGC-SPGJFGJESA-N	-2	0	349.093	-0.319	20	0		EBADRL
CCCOc1nnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1C	ZINC001228457433	811980866	/nfs/dbraw/zinc/98/08/66/811980866.db2.gz	QSTBSXAXGHJZKI-SVRRBLITSA-N	-2	0	331.281	-0.954	20	0		EBADRL
CC(=O)Nc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229719175	812050200	/nfs/dbraw/zinc/05/02/00/812050200.db2.gz	AIYCCSGSLDXDCK-QPUJVOFHSA-N	-2	0	341.272	-0.208	20	0		EBADRL
COC(=O)Cc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229755538	812054054	/nfs/dbraw/zinc/05/40/54/812054054.db2.gz	XDRWWVGVPSAVDA-GXFFZTMASA-N	-2	0	340.284	-0.156	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2nn[nH]n2)c1)[C@H](O)C(=O)[O-]	ZINC001231121918	812274620	/nfs/dbraw/zinc/27/46/20/812274620.db2.gz	PRTIGZFUWAHNNA-SCZZXKLOSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(cc[nH]c2=O)c1)[C@H](O)C(=O)[O-]	ZINC001233725583	812336400	/nfs/dbraw/zinc/33/64/00/812336400.db2.gz	OYNWHMBETCEEEE-PWSUYJOCSA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C(Oc1cc([O-])cc2occc(=O)c12)[C@H](O)COP(=O)([O-])[O-]	ZINC001233833978	812352468	/nfs/dbraw/zinc/35/24/68/812352468.db2.gz	KCLULRBNKSMUQB-MRVPVSSYSA-N	-3	0	346.184	-0.126	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncnc2c1CSC2)[C@@H](O)C(=O)[O-]	ZINC001233896571	812366360	/nfs/dbraw/zinc/36/63/60/812366360.db2.gz	SAPHROVICGBSON-SSDLBLMSSA-N	-2	0	328.302	-0.335	20	0		EBADRL
O=C(Oc1ccc(-n2cncn2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001233921961	812368293	/nfs/dbraw/zinc/36/82/93/812368293.db2.gz	WKPSPZUSZIFLKH-SNVBAGLBSA-N	-2	0	329.205	-0.357	20	0		EBADRL
O=C(Oc1cccc(N2CCOCC2)c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001233998537	812374853	/nfs/dbraw/zinc/37/48/53/812374853.db2.gz	KQRSVBFIPCTKSL-GFCCVEGCSA-N	-2	0	347.260	-0.101	20	0		EBADRL
COCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC001259972134	812820473	/nfs/dbraw/zinc/82/04/73/812820473.db2.gz	QOYFGSCXXAPKOM-UHFFFAOYSA-N	-2	0	337.379	-0.568	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)NCC[P@@](=O)([O-])O)ccc1O	ZINC001260401767	812831442	/nfs/dbraw/zinc/83/14/42/812831442.db2.gz	YBBZBQJAEMCEFN-UHFFFAOYSA-N	-3	0	325.235	-0.454	20	0		EBADRL
C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)NCCOP(=O)([O-])[O-]	ZINC001182191075	833213406	/nfs/dbraw/zinc/21/34/06/833213406.db2.gz	MILAWRDRBFLPOW-KOLCDFICSA-N	-2	0	346.276	-0.609	20	0		EBADRL
O=C([O-])COc1ccc(OCC(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001183910781	833312266	/nfs/dbraw/zinc/31/22/66/833312266.db2.gz	WPIOYRSTOMXEDZ-GFCCVEGCSA-N	-2	0	340.313	-0.046	20	0		EBADRL
CN1CCN(c2cc(NCCOP(=O)([O-])[O-])ncn2)CC1=O	ZINC001168589939	832427979	/nfs/dbraw/zinc/42/79/79/832427979.db2.gz	RIUNDOWJOYKBAI-UHFFFAOYSA-N	-2	0	331.269	-0.724	20	0		EBADRL
O=C(NC[C@@H]1CNC(=O)CO1)c1ccccc1OP(=O)([O-])[O-]	ZINC001189899789	834206794	/nfs/dbraw/zinc/20/67/94/834206794.db2.gz	IHIKCYOQWKOQLG-QMMMGPOBSA-N	-2	0	330.233	-0.597	20	0		EBADRL
CCN(CCC(N)=O)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189923866	834209835	/nfs/dbraw/zinc/20/98/35/834209835.db2.gz	OYPGIHWDGIVVOL-UHFFFAOYSA-N	-2	0	344.345	-0.031	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2ccc(F)c([O-])c2F)C(=O)N1S(=O)(=O)[O-]	ZINC001193793519	834947179	/nfs/dbraw/zinc/94/71/79/834947179.db2.gz	QBGACYBSCKFSCF-NVNXEXLPSA-N	-2	0	336.272	-0.198	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccncc1N1CCOCC1	ZINC001198215044	835654345	/nfs/dbraw/zinc/65/43/45/835654345.db2.gz	AUFIJNQDAODSJX-UHFFFAOYSA-N	-2	0	331.265	-0.243	20	0		EBADRL
Cc1ccn2c(c1)ncc(C(=O)NCCOP(=O)([O-])[O-])c2=O	ZINC001201262338	836120324	/nfs/dbraw/zinc/12/03/24/836120324.db2.gz	HHMBQQHNTXJEEI-UHFFFAOYSA-N	-2	0	327.233	-0.158	20	0		EBADRL
COc1ccccc1C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001204738011	836527382	/nfs/dbraw/zinc/52/73/82/836527382.db2.gz	KDUBTZLUABHHEG-ZANVPECISA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCCOC(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001206529952	836654687	/nfs/dbraw/zinc/65/46/87/836654687.db2.gz	WIKJSPDCVCYJKM-PWSUYJOCSA-N	-2	0	340.284	-0.077	20	0		EBADRL
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCc1nc(=O)o[n-]1	ZINC001321668812	839049422	/nfs/dbraw/zinc/04/94/22/839049422.db2.gz	URDBJYFERMVDTJ-UHFFFAOYSA-N	-2	0	333.329	-0.322	20	0		EBADRL
O=C(Cn1nc(C(=O)[N-]OCC2CC2)ccc1=O)[N-]OCC1CC1	ZINC001326464994	840113348	/nfs/dbraw/zinc/11/33/48/840113348.db2.gz	FNRHQHZFKQTLEV-UHFFFAOYSA-N	-2	0	336.348	-0.228	20	0		EBADRL
C[C@H]1C(=O)N(C)CCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001575863401	949350212	/nfs/dbraw/zinc/35/02/12/949350212.db2.gz	CCXVBYGGRDHGDA-QMMMGPOBSA-N	-2	0	343.351	-0.723	20	0		EBADRL
C[C@@H](O)[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1	ZINC001570946323	949528230	/nfs/dbraw/zinc/52/82/30/949528230.db2.gz	LMWZKJYWXLAOPY-KCJUWKMLSA-N	-2	0	346.351	-0.803	20	0		EBADRL
C[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC001602806711	971592043	/nfs/dbraw/zinc/59/20/43/971592043.db2.gz	UAEBRCYGOCCXKZ-SSDOTTSWSA-N	-2	0	325.306	-0.812	20	0		EBADRL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001595286229	950033847	/nfs/dbraw/zinc/03/38/47/950033847.db2.gz	VSHBVQNGIZVXBB-GXFFZTMASA-N	-2	0	344.327	-0.595	20	0		EBADRL
O=C([O-])COCCOCCNC(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001595114752	951938693	/nfs/dbraw/zinc/93/86/93/951938693.db2.gz	JBTZBGHTUYVZRG-UHFFFAOYSA-N	-2	0	325.277	-0.224	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)CCO2)C(=O)[O-]	ZINC001595128682	952023221	/nfs/dbraw/zinc/02/32/21/952023221.db2.gz	ACIPZXXVOSUMFB-VIFPVBQESA-N	-2	0	343.313	-0.142	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	ZINC001593898500	955847940	/nfs/dbraw/zinc/84/79/40/955847940.db2.gz	SCHUMKSDKWJIAD-UHFFFAOYSA-N	-2	0	336.347	-0.011	20	0		EBADRL
Cn1nccc1CCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001594596642	956098287	/nfs/dbraw/zinc/09/82/87/956098287.db2.gz	HEHSKOHBZKIQRZ-UHFFFAOYSA-N	-2	0	328.306	-0.456	20	0		EBADRL
Cn1nncc1S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001594598571	956114173	/nfs/dbraw/zinc/11/41/73/956114173.db2.gz	WJAVQIUTVYSXIV-UHFFFAOYSA-N	-2	0	340.317	-0.603	20	0		EBADRL
O=C([O-])[C@@H]1CS(=O)(=O)CCN1CC(=O)[N-]OCc1ccccc1	ZINC001594695922	956771025	/nfs/dbraw/zinc/77/10/25/956771025.db2.gz	HOXJKSVFTKYKEC-LBPRGKRZSA-N	-2	0	342.373	-0.582	20	0		EBADRL
O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001594701773	956806021	/nfs/dbraw/zinc/80/60/21/956806021.db2.gz	QVNOPXIKPOMDGJ-SSDOTTSWSA-N	-2	0	334.306	-0.627	20	0		EBADRL
Cn1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC001574467890	961596079	/nfs/dbraw/zinc/59/60/79/961596079.db2.gz	XARNHRIBECFOSL-XPUUQOCRSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CO1	ZINC001574680689	962584042	/nfs/dbraw/zinc/58/40/42/962584042.db2.gz	CXLSTIXNHFDEFL-VHSXEESVSA-N	-2	0	339.352	-0.720	20	0		EBADRL
Cn1nnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1	ZINC000398111797	973071416	/nfs/dbraw/zinc/07/14/16/973071416.db2.gz	XMDHLTKWPKXFOY-UHFFFAOYSA-N	-2	0	333.276	-0.335	20	0		EBADRL
Cn1cnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC001605519407	973700650	/nfs/dbraw/zinc/70/06/50/973700650.db2.gz	HJBGYTVCTYIGQV-BQBZGAKWSA-N	-2	0	349.269	-0.449	20	0		EBADRL
COCCO[N-]C(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1	ZINC001604618927	973740026	/nfs/dbraw/zinc/74/00/26/973740026.db2.gz	BAMBMSSFQFSJOX-AWEZNQCLSA-N	-2	0	348.352	-0.229	20	0		EBADRL
O=C([O-])Cn1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1=O	ZINC001606350836	973795249	/nfs/dbraw/zinc/79/52/49/973795249.db2.gz	XPJVJIFZBZOLFW-SECBINFHSA-N	-2	0	332.320	-0.534	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCSCC1	ZINC001603796353	974263140	/nfs/dbraw/zinc/26/31/40/974263140.db2.gz	FTIJVPYVHZSRAU-UHFFFAOYSA-N	-2	0	339.391	-0.407	20	0		EBADRL
CC(C)n1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)nn1	ZINC001592126312	976941025	/nfs/dbraw/zinc/94/10/25/976941025.db2.gz	FCPMXWGKTUCEBC-UHFFFAOYSA-N	-2	0	345.381	-0.370	20	0		EBADRL
C[C@H](CN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC001592564530	978459417	/nfs/dbraw/zinc/45/94/17/978459417.db2.gz	ZFPBSLOSBHYOBL-MRVPVSSYSA-N	-2	0	340.336	-0.180	20	0		EBADRL
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CCOCC1	ZINC001596541817	984383285	/nfs/dbraw/zinc/38/32/85/984383285.db2.gz	CWSCLXXBYWCOFN-QMMMGPOBSA-N	-2	0	337.350	-0.735	20	0		EBADRL
C[C@H]1OCCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1C(=O)[O-]	ZINC001599936438	985401714	/nfs/dbraw/zinc/40/17/14/985401714.db2.gz	QBDKSXAJCMWMFL-XCBNKYQSSA-N	-2	0	330.318	-0.358	20	0		EBADRL
CCOCCO[N-]C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001596938292	986059920	/nfs/dbraw/zinc/05/99/20/986059920.db2.gz	MYJXPMQTHUOKJB-UHFFFAOYSA-N	-2	0	328.325	-0.274	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001596967597	986177069	/nfs/dbraw/zinc/17/70/69/986177069.db2.gz	ABCGCQOLAWROGS-HNNXBMFYSA-N	-2	0	343.380	-0.155	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@@H]1C(=O)[O-]	ZINC001594561207	986314236	/nfs/dbraw/zinc/31/42/36/986314236.db2.gz	HTKIHZYZQLDHKS-SCZZXKLOSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1	ZINC001589452330	986848454	/nfs/dbraw/zinc/84/84/54/986848454.db2.gz	LBAUUGIGKPEYCU-HTQZYQBOSA-N	-2	0	341.349	-0.778	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn2ccncc12	ZINC001589452801	986852455	/nfs/dbraw/zinc/85/24/55/986852455.db2.gz	ATQXMVPFMIZKML-HTQZYQBOSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1	ZINC001589453247	986858647	/nfs/dbraw/zinc/85/86/47/986858647.db2.gz	PFBWXHCJCPKWEU-IUCAKERBSA-N	-2	0	346.361	-0.045	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC001589455380	986895229	/nfs/dbraw/zinc/89/52/29/986895229.db2.gz	ZEVRRUNAZVWACN-YUMQZZPRSA-N	-2	0	328.346	-0.046	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1	ZINC001589492110	987062411	/nfs/dbraw/zinc/06/24/11/987062411.db2.gz	RJLRDMUQJMEHMS-SECBINFHSA-N	-2	0	338.345	-0.141	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	ZINC001589493479	987067823	/nfs/dbraw/zinc/06/78/23/987067823.db2.gz	CJMGVISRGAZGMQ-PTZCXBDSSA-N	-2	0	336.391	-0.641	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	ZINC001589495825	987075390	/nfs/dbraw/zinc/07/53/90/987075390.db2.gz	RDXAGJCUJBASEY-RKDXNWHRSA-N	-2	0	334.394	-0.057	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC001589496396	987078311	/nfs/dbraw/zinc/07/83/11/987078311.db2.gz	WCQLNSYKLFVFFF-SSDOTTSWSA-N	-2	0	336.366	-0.228	20	0		EBADRL
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](COC1CCC1)C(=O)[O-]	ZINC001598039908	990267891	/nfs/dbraw/zinc/26/78/91/990267891.db2.gz	FMNFRPMRBPADFC-LLVKDONJSA-N	-2	0	349.347	-0.448	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1	ZINC001599683321	990947212	/nfs/dbraw/zinc/94/72/12/990947212.db2.gz	LTKVDJQBAYHUBC-PPRQPISWSA-N	-3	0	349.386	-0.278	20	0		EBADRL
CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)CCC(=O)[O-])n1	ZINC001599752710	992012324	/nfs/dbraw/zinc/01/23/24/992012324.db2.gz	HSLZQIDYOJDZDG-UHFFFAOYSA-N	-2	0	325.368	-0.856	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cn1	ZINC001599759854	992105727	/nfs/dbraw/zinc/10/57/27/992105727.db2.gz	CNIWCEMDVAWLRN-SECBINFHSA-N	-2	0	329.334	-0.621	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)NC2(C(=O)[O-])CC(CO)C2)cc1=O	ZINC001591505281	992649416	/nfs/dbraw/zinc/64/94/16/992649416.db2.gz	GCOXTIRRTPQCPQ-UHFFFAOYSA-N	-2	0	325.365	-0.283	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)NC[C@]2(C(=O)[O-])CCOC2)cc1=O	ZINC001591505770	992651418	/nfs/dbraw/zinc/65/14/18/992651418.db2.gz	LOFKIARBDJXFEG-OAHLLOKOSA-N	-2	0	325.365	-0.018	20	0		EBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cn1	ZINC001598656556	994531814	/nfs/dbraw/zinc/53/18/14/994531814.db2.gz	KMOSNUZMMHAABC-UHFFFAOYSA-N	-2	0	343.361	-0.388	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1	ZINC001598683892	994975870	/nfs/dbraw/zinc/97/58/70/994975870.db2.gz	AEWCBGYAPOUMMF-SFYZADRCSA-N	-2	0	337.350	-0.736	20	0		EBADRL
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001598687271	995015443	/nfs/dbraw/zinc/01/54/43/995015443.db2.gz	GWOQMVOEENTVBG-WBIOTGRQSA-N	-2	0	333.362	-0.115	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598692087	995081371	/nfs/dbraw/zinc/08/13/71/995081371.db2.gz	NWSKETGWAGLMST-MRVPVSSYSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001598693447	995099766	/nfs/dbraw/zinc/09/97/66/995099766.db2.gz	DOCRKYKYNLBHBO-JTQLQIEISA-N	-2	0	345.329	-0.392	20	0		EBADRL
COC(=O)C1(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1	ZINC001598716715	995419864	/nfs/dbraw/zinc/41/98/64/995419864.db2.gz	RKOUNCXCZPKHIQ-UHFFFAOYSA-N	-2	0	334.331	-0.401	20	0		EBADRL
C[C@@H](Oc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1F)C(=O)[O-]	ZINC001593622488	995875329	/nfs/dbraw/zinc/87/53/29/995875329.db2.gz	CAZRRVRMGOUAQO-ZCFIWIBFSA-N	-2	0	328.252	-0.183	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])C(=O)[O-]	ZINC001598868693	996725008	/nfs/dbraw/zinc/72/50/08/996725008.db2.gz	UTRCKLXUEUKXLR-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n1	ZINC001598875247	996759468	/nfs/dbraw/zinc/75/94/68/996759468.db2.gz	ZDQGFXXKRDZAPQ-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
COC[C@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)C(=O)[O-]	ZINC001599178061	996889784	/nfs/dbraw/zinc/88/97/84/996889784.db2.gz	ILTLGGRCOJCPRT-NSHDSACASA-N	-2	0	347.345	-0.082	20	0		EBADRL
CC1(C)CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@H](C(=O)[O-])CO1	ZINC001593947375	997003164	/nfs/dbraw/zinc/00/31/64/997003164.db2.gz	SJKKBWCMRYHYSW-SECBINFHSA-N	-2	0	332.334	-0.034	20	0		EBADRL
COc1cc(CNC(=O)CCn2cc[nH]c(=O)c2=O)ccc1C(=O)[O-]	ZINC001599410377	997409955	/nfs/dbraw/zinc/40/99/55/997409955.db2.gz	ZNEHTEIZHSCKDD-UHFFFAOYSA-N	-2	0	347.327	-0.050	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001599319885	997562937	/nfs/dbraw/zinc/56/29/37/997562937.db2.gz	CUYALYFBIFMPSH-CQSZACIVSA-N	-2	0	329.353	-0.545	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1	ZINC001599320723	997576621	/nfs/dbraw/zinc/57/66/21/997576621.db2.gz	OXRJHARLQWNZQK-NKWVEPMBSA-N	-2	0	327.259	-0.041	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001599321288	997586141	/nfs/dbraw/zinc/58/61/41/997586141.db2.gz	YKRCEVGFUHRIRL-MRVPVSSYSA-N	-2	0	326.313	-1.000	20	0		EBADRL
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001599231818	997874073	/nfs/dbraw/zinc/87/40/73/997874073.db2.gz	AVDRSPPGNZGZOY-LURJTMIESA-N	-2	0	338.363	-0.049	20	0		EBADRL
CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@](C)(C(=O)[O-])C1	ZINC001599136497	998053258	/nfs/dbraw/zinc/05/32/58/998053258.db2.gz	IQNBLSAMPQHVRL-SDBXPKJASA-N	-2	0	346.361	-0.024	20	0		EBADRL
COCCO[N-]C(=O)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1	ZINC001599252033	998248860	/nfs/dbraw/zinc/24/88/60/998248860.db2.gz	BOAQHHWLVPTXCL-UHFFFAOYSA-N	-2	0	326.305	-0.296	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](F)C(=O)[O-]	ZINC001598968221	998463575	/nfs/dbraw/zinc/46/35/75/998463575.db2.gz	OAQMRFXKZZVBKN-MRVPVSSYSA-N	-2	0	349.292	-0.128	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)CC(=O)[O-]	ZINC001598969270	998484601	/nfs/dbraw/zinc/48/46/01/998484601.db2.gz	PUHMOGWVDNGBIH-UHFFFAOYSA-N	-2	0	331.302	-0.124	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C	ZINC001599165645	998537747	/nfs/dbraw/zinc/53/77/47/998537747.db2.gz	ILKYCMABVCQUHB-UHFFFAOYSA-N	-2	0	334.350	-0.556	20	0		EBADRL
COC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-]	ZINC001599172023	998620969	/nfs/dbraw/zinc/62/09/69/998620969.db2.gz	SXGSLCBGFXOGDQ-SNVBAGLBSA-N	-2	0	346.361	-0.528	20	0		EBADRL
COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1	ZINC001598993282	998755901	/nfs/dbraw/zinc/75/59/01/998755901.db2.gz	UJCYUFIXFDGYET-QMMMGPOBSA-N	-2	0	329.330	-0.065	20	0		EBADRL
CO[C@H](CS(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1)[C@H]1CCOC1	ZINC001599060938	999264656	/nfs/dbraw/zinc/26/46/56/999264656.db2.gz	YGTWDIGEKRALBB-WCBMZHEXSA-N	-2	0	331.350	-0.032	20	0		EBADRL
C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C(=O)[O-]	ZINC001594388140	999468880	/nfs/dbraw/zinc/46/88/80/999468880.db2.gz	IIKMUWKDFZROAR-CHWFTXMASA-N	-2	0	326.349	-0.123	20	0		EBADRL
C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1C(=O)[O-]	ZINC001594388141	999468967	/nfs/dbraw/zinc/46/89/67/999468967.db2.gz	IIKMUWKDFZROAR-MMWGEVLESA-N	-2	0	326.349	-0.123	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-]	ZINC000562623273	376982274	/nfs/dbraw/zinc/98/22/74/376982274.db2.gz	IZQRXTISYAJOGM-SNVBAGLBSA-N	-2	0	340.313	-0.266	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000317442398	377217941	/nfs/dbraw/zinc/21/79/41/377217941.db2.gz	LZWVXUSKWQOPKR-BDAKNGLRSA-N	-2	0	337.350	-0.623	20	0		EBADRL
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc21	ZINC000275005597	296263483	/nfs/dbraw/zinc/26/34/83/296263483.db2.gz	OWPQJBLXIMQNSC-ZETCQYMHSA-N	-2	0	342.329	-0.098	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000274882275	379720344	/nfs/dbraw/zinc/72/03/44/379720344.db2.gz	DBFOXOVIPYWGJR-SNVBAGLBSA-N	-2	0	345.329	-0.012	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274922989	379721783	/nfs/dbraw/zinc/72/17/83/379721783.db2.gz	BNMBOOHCKBGLFP-ZCFIWIBFSA-N	-2	0	349.321	-0.960	20	0		EBADRL
COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274909073	379723671	/nfs/dbraw/zinc/72/36/71/379723671.db2.gz	KCDRJAWBKYOIKQ-VIFPVBQESA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC000274959212	379726895	/nfs/dbraw/zinc/72/68/95/379726895.db2.gz	URWWCQNQOYMNHY-ZCFIWIBFSA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547552951	380144147	/nfs/dbraw/zinc/14/41/47/380144147.db2.gz	GRHICMFSRSDKQP-DTWKUNHWSA-N	-2	0	337.350	-0.481	20	0		EBADRL
CCn1nc(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000547570814	380146123	/nfs/dbraw/zinc/14/61/23/380146123.db2.gz	XPBFTEBJMUSGLV-SECBINFHSA-N	-2	0	333.366	-0.026	20	0		EBADRL
COC(=O)c1cc(F)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000547881996	380168520	/nfs/dbraw/zinc/16/85/20/380168520.db2.gz	PFYNNWYGNQNWEK-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548210059	380190125	/nfs/dbraw/zinc/19/01/25/380190125.db2.gz	BEUFJSLBRNNMFQ-YIZRAAEISA-N	-2	0	337.350	-0.435	20	0		EBADRL
CC(=O)N(C)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000548532284	380213602	/nfs/dbraw/zinc/21/36/02/380213602.db2.gz	OLKQNJIMGULRJQ-UHFFFAOYSA-N	-2	0	344.345	-0.171	20	0		EBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)CCOCC2CC2)CC[C@@H]1C(=O)[O-]	ZINC000583807620	381145716	/nfs/dbraw/zinc/14/57/16/381145716.db2.gz	SNELQGPEUHNIDU-QWRGUYRKSA-N	-2	0	335.378	-0.150	20	0		EBADRL
C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CCO1	ZINC000571805766	381620188	/nfs/dbraw/zinc/62/01/88/381620188.db2.gz	FOCWAVFOEPPLDS-DBIOUOCHSA-N	-2	0	335.378	-0.009	20	0		EBADRL
COCCOc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000320515753	381648963	/nfs/dbraw/zinc/64/89/63/381648963.db2.gz	ZMINMACWXMEWOS-UHFFFAOYSA-N	-2	0	347.345	-0.128	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000264488766	154281500	/nfs/dbraw/zinc/28/15/00/154281500.db2.gz	NNOOPKZQYSJWSZ-QMMMGPOBSA-N	-2	0	333.318	-0.090	20	0		EBADRL
COC(=O)CC1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000274924184	154628265	/nfs/dbraw/zinc/62/82/65/154628265.db2.gz	BSFNQUAORDPSKO-QMMMGPOBSA-N	-2	0	337.350	-0.575	20	0		EBADRL
Cc1nn(C)c2ncc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc12	ZINC000275011629	154634472	/nfs/dbraw/zinc/63/44/72/154634472.db2.gz	PZKQUGBOEKSUAC-UHFFFAOYSA-N	-2	0	342.333	-0.563	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC000292142026	155029717	/nfs/dbraw/zinc/02/97/17/155029717.db2.gz	OUEWINZGYJKPKV-QMMMGPOBSA-N	-2	0	344.301	-0.283	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000298120851	155101305	/nfs/dbraw/zinc/10/13/05/155101305.db2.gz	ZMDFLJMKBODUTF-ZETCQYMHSA-N	-2	0	349.321	-0.817	20	0		EBADRL
O=C(N=c1[n-]ncs1)NCCCCNC(=O)N=c1[n-]ncs1	ZINC000360516410	157384592	/nfs/dbraw/zinc/38/45/92/157384592.db2.gz	SVWODJHKPWTJHY-UHFFFAOYSA-N	-2	0	342.410	-0.043	20	0		EBADRL
Cc1c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])coc1C(=O)N(C)C	ZINC000650388184	419011940	/nfs/dbraw/zinc/01/19/40/419011940.db2.gz	WFTMLADSUCQJMM-SSDOTTSWSA-N	-2	0	348.333	-0.504	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000656509187	420897460	/nfs/dbraw/zinc/89/74/60/420897460.db2.gz	NXPYPVOLUTWKFW-SECBINFHSA-N	-2	0	330.318	-0.700	20	0		EBADRL
CCc1n[n-]c(=NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1	ZINC000424465942	265064386	/nfs/dbraw/zinc/06/43/86/265064386.db2.gz	GGFHTIBAVKPSRH-ZCFIWIBFSA-N	-2	0	334.379	-0.762	20	0		EBADRL
Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000676215286	546198600	/nfs/dbraw/zinc/19/86/00/546198600.db2.gz	WLPBNHKTWXCFOU-MRVPVSSYSA-N	-2	0	334.288	-0.330	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000731050936	582834024	/nfs/dbraw/zinc/83/40/24/582834024.db2.gz	REVQRWVGKUIRRS-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COCCn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1=O	ZINC000737827682	582868550	/nfs/dbraw/zinc/86/85/50/582868550.db2.gz	VKRDJPFPMIZPLI-UHFFFAOYSA-N	-2	0	346.361	-0.581	20	0		EBADRL
C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736660024	582948185	/nfs/dbraw/zinc/94/81/85/582948185.db2.gz	CKVMYCLHOYLIHP-MRVPVSSYSA-N	-2	0	332.334	-0.291	20	0		EBADRL
CCn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000737302137	583004774	/nfs/dbraw/zinc/00/47/74/583004774.db2.gz	QCDUYQFQKMOGLO-UHFFFAOYSA-N	-2	0	330.366	-0.326	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)c2ccc(OCC(=O)[O-])cc2)n[n-]1	ZINC000738176725	583044334	/nfs/dbraw/zinc/04/43/34/583044334.db2.gz	WIOGGFPKZPOAFB-UHFFFAOYSA-N	-2	0	340.317	-0.076	20	0		EBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000738176758	583044494	/nfs/dbraw/zinc/04/44/94/583044494.db2.gz	YAUILQBXUWVHQG-UWVGGRQHSA-N	-2	0	347.370	-0.384	20	0		EBADRL
NC(=O)C[C@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)C(=O)[O-]	ZINC000748674182	583122491	/nfs/dbraw/zinc/12/24/91/583122491.db2.gz	PMCSOCHNLLVDFG-JTQLQIEISA-N	-2	0	344.345	-0.689	20	0		EBADRL
CO[C@@H](C)CS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000764196297	583270275	/nfs/dbraw/zinc/27/02/75/583270275.db2.gz	VTCZLNFGBAHQSL-LURJTMIESA-N	-2	0	334.316	-0.076	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776437625	583404045	/nfs/dbraw/zinc/40/40/45/583404045.db2.gz	ZREZXGOUIVMGAA-VIFPVBQESA-N	-2	0	343.313	-0.047	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776445173	583404428	/nfs/dbraw/zinc/40/44/28/583404428.db2.gz	SWQJBURXPWDWED-MRVPVSSYSA-N	-2	0	329.286	-0.437	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC000776645388	583407524	/nfs/dbraw/zinc/40/75/24/583407524.db2.gz	NMMDZVRFCMGZLB-UHFFFAOYSA-N	-2	0	341.301	-0.104	20	0		EBADRL
Cn1c(=O)c2ccc(C(=O)NCCc3nc(=O)o[n-]3)cc2[n-]c1=S	ZINC000790080530	583542026	/nfs/dbraw/zinc/54/20/26/583542026.db2.gz	ZSNUXVSJDZJJLP-UHFFFAOYSA-N	-2	0	347.356	-0.129	20	0		EBADRL
O=C(Nc1cccc(NC(=O)c2cc(=O)[nH][n-]2)c1)c1cc(=O)[nH][n-]1	ZINC000794345013	583579599	/nfs/dbraw/zinc/57/95/99/583579599.db2.gz	BVZDYQYRUWPSKC-UHFFFAOYSA-N	-2	0	328.288	-0.685	20	0		EBADRL
CS(=O)(=O)c1nc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c2ccccn21	ZINC000816732870	583720714	/nfs/dbraw/zinc/72/07/14/583720714.db2.gz	ZBKLBVSDRGNKFF-UHFFFAOYSA-N	-2	0	338.305	-0.876	20	0		EBADRL
C[C@]1(c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2)NC(=O)NC1=O	ZINC000820215004	583768370	/nfs/dbraw/zinc/76/83/70/583768370.db2.gz	QAOTZCIGAIAUQY-OAHLLOKOSA-N	-2	0	349.299	-0.901	20	0		EBADRL
O=C(Cc1cccc(-c2nn[nH]n2)c1)NCCCc1n[nH]c(=O)[n-]1	ZINC000823097960	583824067	/nfs/dbraw/zinc/82/40/67/583824067.db2.gz	FFBHAHCWKDXGEB-UHFFFAOYSA-N	-2	0	328.336	-0.018	20	0		EBADRL
CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000826919760	583912227	/nfs/dbraw/zinc/91/22/27/583912227.db2.gz	BHMUWLOPUKAUPR-SNVBAGLBSA-N	-2	0	349.409	-0.119	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)cn1	ZINC000827706100	583926312	/nfs/dbraw/zinc/92/63/12/583926312.db2.gz	HJEBHCFONXRDND-SECBINFHSA-N	-2	0	346.365	-0.523	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828670064	583944702	/nfs/dbraw/zinc/94/47/02/583944702.db2.gz	BFZDRTZQUPIBMA-RKDXNWHRSA-N	-2	0	336.366	-0.178	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)c2ccc(CNC(=O)[O-])o2)n[n-]1	ZINC000829700163	583957444	/nfs/dbraw/zinc/95/74/44/583957444.db2.gz	PWENUOHJVNTHES-UHFFFAOYSA-N	-2	0	329.294	-0.179	20	0		EBADRL
COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000831124222	583976818	/nfs/dbraw/zinc/97/68/18/583976818.db2.gz	NJJGIQJVOPQWEE-QMMMGPOBSA-N	-2	0	336.366	-0.657	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cn1	ZINC000831192547	583978904	/nfs/dbraw/zinc/97/89/04/583978904.db2.gz	NQUPYNMJECOISU-UHFFFAOYSA-N	-2	0	343.321	-0.862	20	0		EBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)c1cnccn1	ZINC000831388255	583982379	/nfs/dbraw/zinc/98/23/79/583982379.db2.gz	UXOGYWWRUWEJST-MRVPVSSYSA-N	-2	0	330.322	-0.950	20	0		EBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000831415018	583982521	/nfs/dbraw/zinc/98/25/21/583982521.db2.gz	VQFQAZOHNKCNSY-BDAKNGLRSA-N	-2	0	338.407	-0.293	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])NCCCc1n[nH]c(=O)[n-]1	ZINC000831475376	583983253	/nfs/dbraw/zinc/98/32/53/583983253.db2.gz	ZIYQKYVAJIIROH-SECBINFHSA-N	-2	0	327.341	-0.282	20	0		EBADRL
O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831545628	583984483	/nfs/dbraw/zinc/98/44/83/583984483.db2.gz	RIDOVMCNMKHYKJ-ZJUUUORDSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)c1	ZINC000833355059	584008979	/nfs/dbraw/zinc/00/89/79/584008979.db2.gz	HHVLIGZOLHIIFU-MRVPVSSYSA-N	-2	0	326.330	-0.284	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000833699961	584014191	/nfs/dbraw/zinc/01/41/91/584014191.db2.gz	FFYNUJZRQWBVPG-UWVGGRQHSA-N	-2	0	326.330	-0.428	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](CC(F)F)NC(=O)[O-]	ZINC000833883706	584018770	/nfs/dbraw/zinc/01/87/70/584018770.db2.gz	QALVEOQMDVYFQY-LURJTMIESA-N	-2	0	333.313	-0.783	20	0		EBADRL
O=C([O-])N1CC(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)C1	ZINC000834051369	584025492	/nfs/dbraw/zinc/02/54/92/584025492.db2.gz	ROTFMDWQJPDAGY-UHFFFAOYSA-N	-2	0	342.329	-0.128	20	0		EBADRL
O=C([O-])CCN(C(=O)COC1CN(C(=O)[O-])C1)C1CCOCC1	ZINC000834060743	584025657	/nfs/dbraw/zinc/02/56/57/584025657.db2.gz	URUKXWFHHAVIQL-UHFFFAOYSA-N	-2	0	330.337	-0.153	20	0		EBADRL
O=C([O-])N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1	ZINC000834136119	584026754	/nfs/dbraw/zinc/02/67/54/584026754.db2.gz	PXIXQFGLXHYOBM-NKWVEPMBSA-N	-2	0	330.309	-0.097	20	0		EBADRL
O=C([O-])NCC(=O)NCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000834198050	584028760	/nfs/dbraw/zinc/02/87/60/584028760.db2.gz	FIEWLHUVALYRFU-UHFFFAOYSA-N	-2	0	335.276	-0.648	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccnc(Cl)c1	ZINC000834241987	584029899	/nfs/dbraw/zinc/02/98/99/584029899.db2.gz	BVCBXMCSWJFRPO-UHFFFAOYSA-N	-2	0	337.741	-0.176	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000834242447	584029989	/nfs/dbraw/zinc/02/99/89/584029989.db2.gz	JIDDRXUSURQOGE-UHFFFAOYSA-N	-2	0	346.317	-0.496	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000834242491	584030010	/nfs/dbraw/zinc/03/00/10/584030010.db2.gz	KMUBRCXQYLLNRN-UHFFFAOYSA-N	-2	0	344.345	-0.194	20	0		EBADRL
O=C([O-])N1CCC(n2cc(C(=O)OCc3n[nH]c(=O)[n-]3)nn2)CC1	ZINC000834286252	584030512	/nfs/dbraw/zinc/03/05/12/584030512.db2.gz	PJKDGBFJJVJFRD-UHFFFAOYSA-N	-2	0	337.296	-0.226	20	0		EBADRL
O=C([O-])N1CCSC[C@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000834290961	584030949	/nfs/dbraw/zinc/03/09/49/584030949.db2.gz	VAXWDIMLFVDXHH-BDAKNGLRSA-N	-2	0	342.377	-0.766	20	0		EBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nc[nH]n1	ZINC000851704103	584200686	/nfs/dbraw/zinc/20/06/86/584200686.db2.gz	SIMPXUJCXYBNKF-WDSKDSINSA-N	-2	0	335.242	-0.459	20	0		EBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn[nH]n1	ZINC000851701156	584200765	/nfs/dbraw/zinc/20/07/65/584200765.db2.gz	FSIDCXYRSXNTKU-IYSWYEEDSA-N	-2	0	335.242	-0.459	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863958492	584381246	/nfs/dbraw/zinc/38/12/46/584381246.db2.gz	ADKYFBDKUDUPLY-QMMMGPOBSA-N	-2	0	337.350	-0.735	20	0		EBADRL
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863958588	584381306	/nfs/dbraw/zinc/38/13/06/584381306.db2.gz	DGQVEGKGUOVXBI-BQBZGAKWSA-N	-2	0	345.333	-0.568	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000863958685	584381344	/nfs/dbraw/zinc/38/13/44/584381344.db2.gz	HKMZFRCHVIDFQR-QMMMGPOBSA-N	-2	0	345.329	-0.229	20	0		EBADRL
COC(=O)CCS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863960807	584381494	/nfs/dbraw/zinc/38/14/94/584381494.db2.gz	AAAHHESGZAYWQF-UHFFFAOYSA-N	-2	0	337.350	-0.733	20	0		EBADRL
NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)on1	ZINC000863966050	584382315	/nfs/dbraw/zinc/38/23/15/584382315.db2.gz	RDCHXPJJJJWUKD-SECBINFHSA-N	-2	0	345.333	-0.531	20	0		EBADRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000739938029	599797545	/nfs/dbraw/zinc/79/75/45/599797545.db2.gz	MGXKUKJFIFSLNK-UHFFFAOYSA-N	-2	0	330.318	-0.080	20	0		EBADRL
Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000738919088	600242226	/nfs/dbraw/zinc/24/22/26/600242226.db2.gz	IRTDTRSEVWELOE-UHFFFAOYSA-N	-2	0	330.366	-0.500	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1C(N)=O	ZINC000738652474	600440593	/nfs/dbraw/zinc/44/05/93/600440593.db2.gz	LPDRUTZNHUDAHC-VHSXEESVSA-N	-2	0	326.330	-0.380	20	0		EBADRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cn1C	ZINC000320907287	600528938	/nfs/dbraw/zinc/52/89/38/600528938.db2.gz	CUSSLVZMDLBGSY-UHFFFAOYSA-N	-2	0	341.349	-0.533	20	0		EBADRL
COCCn1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1	ZINC000315466539	600675066	/nfs/dbraw/zinc/67/50/66/600675066.db2.gz	OGRWBGQIMLDJLU-UHFFFAOYSA-N	-2	0	329.338	-0.389	20	0		EBADRL
O=C([O-])CCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1	ZINC000013078866	649932460	/nfs/dbraw/zinc/93/24/60/649932460.db2.gz	MMGDZOLXUXETLN-UHFFFAOYSA-N	-2	0	344.345	-0.817	20	0		EBADRL
CN(C[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1)C(=O)[O-]	ZINC000739652424	602513726	/nfs/dbraw/zinc/51/37/26/602513726.db2.gz	VMOHALRMDZFCQJ-SECBINFHSA-N	-2	0	334.336	-0.471	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000740245500	602959739	/nfs/dbraw/zinc/95/97/39/602959739.db2.gz	IKDQLWKUYMWPKV-VIFPVBQESA-N	-2	0	330.366	-0.158	20	0		EBADRL
COCCN(CC(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)C(=O)[O-]	ZINC000739821483	603171466	/nfs/dbraw/zinc/17/14/66/603171466.db2.gz	XTQCTNKZXFAWBI-JTQLQIEISA-N	-2	0	338.382	-0.372	20	0		EBADRL
Cc1cc(C)c(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C(=O)[O-]	ZINC000917846554	650285388	/nfs/dbraw/zinc/28/53/88/650285388.db2.gz	UMDBEZCRYLKYMG-VIFPVBQESA-N	-2	0	344.345	-0.391	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-]	ZINC000917729197	650284044	/nfs/dbraw/zinc/28/40/44/650284044.db2.gz	AZBRNVJWNONDBM-LURJTMIESA-N	-2	0	337.331	-0.259	20	0		EBADRL
O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1ncccc1O	ZINC000973197236	725667195	/nfs/dbraw/zinc/66/71/95/725667195.db2.gz	ADTIJDMDBGPDDU-LJGSYFOKSA-N	-2	0	346.303	-0.926	20	0		EBADRL
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033805050	731074996	/nfs/dbraw/zinc/07/49/96/731074996.db2.gz	AVJYKARHSDQLAC-SECBINFHSA-N	-2	0	335.368	-0.016	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@@]3(CCN(Cc4n[nH]c(=O)[n-]4)C3)C2)c1[O-]	ZINC001041206951	732030968	/nfs/dbraw/zinc/03/09/68/732030968.db2.gz	HNTQXOOHBHNCRO-OAHLLOKOSA-N	-2	0	347.379	-0.014	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)[O-]	ZINC000316986716	803766906	/nfs/dbraw/zinc/76/69/06/803766906.db2.gz	IOHKRXAYMZLCKN-LURJTMIESA-N	-2	0	336.253	-0.060	20	0		EBADRL
Cn1nnc2cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21	ZINC001223037649	811678288	/nfs/dbraw/zinc/67/82/88/811678288.db2.gz	OUGIJXBCTINNDS-QPUJVOFHSA-N	-2	0	337.288	-0.452	20	0		EBADRL
NC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001223105623	811682773	/nfs/dbraw/zinc/68/27/73/811682773.db2.gz	IYOLJDFITBIYES-KOLCDFICSA-N	-2	0	325.273	-0.635	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1nccc2c1OCO2)[C@@H](O)C(=O)[O-]	ZINC001223758113	811728211	/nfs/dbraw/zinc/72/82/11/811728211.db2.gz	YPHKXNQMXTXUEH-LHLIQPBNSA-N	-2	0	327.245	-0.610	20	0		EBADRL
CSc1nccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001224108806	811746010	/nfs/dbraw/zinc/74/60/10/811746010.db2.gz	DAGXKKPAJJEQHN-VXNVDRBHSA-N	-2	0	330.318	-0.222	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(-n2ccnn2)cc1)[C@H](O)C(=O)[O-]	ZINC001224192867	811749351	/nfs/dbraw/zinc/74/93/51/811749351.db2.gz	SRZDNPMSEAHSEK-AAEUAGOBSA-N	-2	0	349.299	-0.153	20	0		EBADRL
CCOC(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])on1	ZINC001224259544	811751977	/nfs/dbraw/zinc/75/19/77/811751977.db2.gz	AJPGNMQUJGJQPF-OIBJUYFYSA-N	-2	0	345.260	-0.569	20	0		EBADRL
NC(=O)c1ccc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225394005	811807359	/nfs/dbraw/zinc/80/73/59/811807359.db2.gz	LFAOHEFPPQGUFW-XVKPBYJWSA-N	-2	0	345.691	-0.119	20	0		EBADRL
CC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225675055	811822540	/nfs/dbraw/zinc/82/25/40/811822540.db2.gz	QTBXTGGKWGMNNT-KRTXAFLBSA-N	-2	0	342.256	-0.258	20	0		EBADRL
COC(=O)c1cc(O)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225973027	811840672	/nfs/dbraw/zinc/84/06/72/811840672.db2.gz	HOZRNEBNYKZZRG-MRVPVSSYSA-N	-2	0	336.189	-0.446	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)OCCO2)[C@H](O)C(=O)[O-]	ZINC001226034073	811843829	/nfs/dbraw/zinc/84/38/29/811843829.db2.gz	SITPCGPXBAGZBW-UFBFGSQYSA-N	-2	0	326.257	-0.100	20	0		EBADRL
Cc1cc(=O)[n-]c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1	ZINC001226157401	811850261	/nfs/dbraw/zinc/85/02/61/811850261.db2.gz	YCBNPUOIEQZDOJ-SNVBAGLBSA-N	-2	0	333.366	-0.542	20	0		EBADRL
COC(=O)c1c[nH]c(=O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226210398	811852361	/nfs/dbraw/zinc/85/23/61/811852361.db2.gz	CRDOWICPEAPXLT-FWOIEVBISA-N	-2	0	343.244	-0.984	20	0		EBADRL
COc1cnc(=S)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226247198	811854945	/nfs/dbraw/zinc/85/49/45/811854945.db2.gz	UUUMIULETCBKCC-FBCQKBJTSA-N	-2	0	332.290	-0.784	20	0		EBADRL
O=C(Oc1ncncc1Br)[C@H](O)COP(=O)([O-])[O-]	ZINC001226568796	811871290	/nfs/dbraw/zinc/87/12/90/811871290.db2.gz	HYXYWFVBQCVQMY-RXMQYKEDSA-N	-2	0	343.026	-0.385	20	0		EBADRL
COc1nccc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])ncnc21	ZINC001226714051	811880275	/nfs/dbraw/zinc/88/02/75/811880275.db2.gz	BVLZDKOPPIBFKL-SSDOTTSWSA-N	-2	0	345.204	-0.591	20	0		EBADRL
COC(=O)c1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001226759416	811882694	/nfs/dbraw/zinc/88/26/94/811882694.db2.gz	PJNWMHIUXGYWAS-OIBJUYFYSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)c1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001226759418	811882742	/nfs/dbraw/zinc/88/27/42/811882742.db2.gz	PJNWMHIUXGYWAS-XVKPBYJWSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)c1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001226759417	811883529	/nfs/dbraw/zinc/88/35/29/811883529.db2.gz	PJNWMHIUXGYWAS-XCBNKYQSSA-N	-2	0	327.245	-0.690	20	0		EBADRL
Cc1nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl	ZINC001227112648	811904032	/nfs/dbraw/zinc/90/40/32/811904032.db2.gz	NJAVOOHSNVKGAB-CLZZGJSISA-N	-3	0	334.668	-0.414	20	0		EBADRL
COc1cc(O)cc(OC)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227252214	811913438	/nfs/dbraw/zinc/91/34/38/811913438.db2.gz	FFBYWXVIRWPUMJ-SSDOTTSWSA-N	-2	0	338.205	-0.215	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)C(=O)NCC2)[C@@H](O)C(=O)[O-]	ZINC001227958781	811952722	/nfs/dbraw/zinc/95/27/22/811952722.db2.gz	ROJAOUNKVUNVQW-ZYHUDNBSSA-N	-2	0	337.284	-0.586	20	0		EBADRL
COC(=O)c1ccc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228192451	811967479	/nfs/dbraw/zinc/96/74/79/811967479.db2.gz	KPNUCFLKQYOQGI-KCJUWKMLSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1C	ZINC001228708059	811995813	/nfs/dbraw/zinc/99/58/13/811995813.db2.gz	LCIMBCFCQJQFGZ-KWQFWETISA-N	-2	0	341.272	-0.382	20	0		EBADRL
COC(=O)c1ccc(C)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228785866	811997239	/nfs/dbraw/zinc/99/72/39/811997239.db2.gz	DUIVWCUEWAKVEV-MRVPVSSYSA-N	-2	0	335.205	-0.448	20	0		EBADRL
CCCc1cnc(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228872711	812000316	/nfs/dbraw/zinc/00/03/16/812000316.db2.gz	BTXYAWWPFXQDIN-VXNVDRBHSA-N	-2	0	328.277	-0.424	20	0		EBADRL
CCCc1cnc(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228872707	812000612	/nfs/dbraw/zinc/00/06/12/812000612.db2.gz	BTXYAWWPFXQDIN-CBAPKCEASA-N	-2	0	328.277	-0.424	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2cccnc21)[C@@H](O)C(=O)[O-]	ZINC001229501669	812037778	/nfs/dbraw/zinc/03/77/78/812037778.db2.gz	KBBKZYPJVUEKMJ-PWCHPLFNSA-N	-2	0	336.256	-0.223	20	0		EBADRL
O=C(Oc1cccc2c1CCC(=O)N2)[C@H](O)COP(=O)([O-])[O-]	ZINC001229640539	812046446	/nfs/dbraw/zinc/04/64/46/812046446.db2.gz	UGKFANKUAAXPEA-SECBINFHSA-N	-2	0	331.217	-0.053	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(C(F)(F)F)cnn1)[C@H](O)C(=O)[O-]	ZINC001229746316	812054235	/nfs/dbraw/zinc/05/42/35/812054235.db2.gz	MOJXCVPRWZHYIE-XNCJUZBTSA-N	-2	0	338.194	-0.063	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1-c1nn[nH]n1)[C@@H](O)C(=O)[O-]	ZINC001229950618	812063582	/nfs/dbraw/zinc/06/35/82/812063582.db2.gz	NDPPTJSKMDWAEW-GMSGAONNSA-N	-2	0	336.260	-0.692	20	0		EBADRL
NC(=O)/C=C\c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001234158567	812390192	/nfs/dbraw/zinc/39/01/92/812390192.db2.gz	LVGHRNUMSDPOMC-FIFYQCSRSA-N	-2	0	347.216	-0.734	20	0		EBADRL
NC(=O)c1ccc2nc(=O)[n-]c(OC(=O)[C@H](O)CCC(=O)[O-])c2c1	ZINC001234519343	812438337	/nfs/dbraw/zinc/43/83/37/812438337.db2.gz	SEQJBZDENZYYST-SECBINFHSA-N	-2	0	335.272	-0.435	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001234649571	812446653	/nfs/dbraw/zinc/44/66/53/812446653.db2.gz	QBLSEZQKZNGIOF-GZMMTYOYSA-N	-2	0	326.261	-0.518	20	0		EBADRL
CS(=O)(=O)c1cccc(CC(=O)NCCOP(=O)([O-])[O-])c1	ZINC001180008185	833032921	/nfs/dbraw/zinc/03/29/21/833032921.db2.gz	WTLBAZMXCPITQJ-UHFFFAOYSA-N	-2	0	337.290	-0.142	20	0		EBADRL
COc1cc(C[C@H](O)C(=O)NCCOP(=O)([O-])[O-])ccc1O	ZINC001143603484	830154802	/nfs/dbraw/zinc/15/48/02/830154802.db2.gz	UYLVYGJUBIUYKU-JTQLQIEISA-N	-2	0	335.249	-0.470	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@H]1[C@H](O)CCN1Cc1ccccc1	ZINC001143675661	830155213	/nfs/dbraw/zinc/15/52/13/830155213.db2.gz	JPWWBYFWOABQSZ-CHWSQXEVSA-N	-2	0	344.304	-0.153	20	0		EBADRL
O=C([O-])c1cc(C(=O)N2C[C@H](O)C[C@@H]2CO)cc(S(=O)(=O)[O-])c1	ZINC001189932554	834209843	/nfs/dbraw/zinc/20/98/43/834209843.db2.gz	CZPQJGCODFXJPF-NXEZZACHSA-N	-2	0	345.329	-0.801	20	0		EBADRL
COc1nc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc1F	ZINC001190116771	834230765	/nfs/dbraw/zinc/23/07/65/834230765.db2.gz	LRGBVOPWZXZVLR-UHFFFAOYSA-N	-2	0	330.230	-0.383	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cc(F)c([O-])c(F)c1	ZINC001213373497	837758294	/nfs/dbraw/zinc/75/82/94/837758294.db2.gz	HUMHAUGBEAZATA-UHFFFAOYSA-N	-2	0	349.275	-0.318	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2ccc(F)c(F)c2[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001192811925	834738711	/nfs/dbraw/zinc/73/87/11/834738711.db2.gz	WUHXBNIHBOUILM-NVNXEXLPSA-N	-2	0	336.272	-0.198	20	0		EBADRL
COc1ccccc1C(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001204738007	836527164	/nfs/dbraw/zinc/52/71/64/836527164.db2.gz	KDUBTZLUABHHEG-NOZJJQNGSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O	ZINC001611334235	970997218	/nfs/dbraw/zinc/99/72/18/970997218.db2.gz	NMBGSXLHMBRJLG-UWVGGRQHSA-N	-2	0	345.315	-0.333	20	0		EBADRL
CC(=O)NCCN(C(=O)c1c[n-]n2c1nccc2=O)[C@H](C)C(=O)[O-]	ZINC001602757182	971470427	/nfs/dbraw/zinc/47/04/27/971470427.db2.gz	DJTNBQUVRAMZDF-MRVPVSSYSA-N	-2	0	335.320	-0.926	20	0		EBADRL
C[C@@H](NC(=O)[C@H](C)n1cnc(-c2nnn[n-]2)n1)c1nn(C)cc1[O-]	ZINC001575250976	949122524	/nfs/dbraw/zinc/12/25/24/949122524.db2.gz	JOAMJGSLAZUWOV-RQJHMYQMSA-N	-2	0	332.328	-0.664	20	0		EBADRL
CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)[N-]OCCO)C1	ZINC001602892057	971802826	/nfs/dbraw/zinc/80/28/26/971802826.db2.gz	DCJMZLSQNCBKKO-ZDUSSCGKSA-N	-2	0	334.325	-0.883	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)c2cc3n(n2)CCC3)on1	ZINC001595214378	952367157	/nfs/dbraw/zinc/36/71/57/952367157.db2.gz	IIUZWYWZCSASHS-UHFFFAOYSA-N	-2	0	326.290	-0.366	20	0		EBADRL
COC(=O)c1ccoc1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1	ZINC001593892061	955792305	/nfs/dbraw/zinc/79/23/05/955792305.db2.gz	RVUWGLWGIHTRHR-UHFFFAOYSA-N	-2	0	333.318	-0.022	20	0		EBADRL
C[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nn(C)cc1[O-]	ZINC001589090945	955939184	/nfs/dbraw/zinc/93/91/84/955939184.db2.gz	MCJJZRMDRZODCK-QMMMGPOBSA-N	-2	0	345.377	-0.418	20	0		EBADRL
COC[C@]1(C(=O)[O-])CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC001593968801	956591424	/nfs/dbraw/zinc/59/14/24/956591424.db2.gz	VWVSVKPITADERO-HNNXBMFYSA-N	-2	0	348.315	-0.001	20	0		EBADRL
C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC001589196291	956610344	/nfs/dbraw/zinc/61/03/44/956610344.db2.gz	VUZYGGJYWRBWHU-ZDUSSCGKSA-N	-2	0	328.346	-0.024	20	0		EBADRL
Cc1cc(C)nc(-n2[n-]c(C(=O)N[C@H](C)C(=O)[O-])c(CCO)c2=O)n1	ZINC001594305381	957962751	/nfs/dbraw/zinc/96/27/51/957962751.db2.gz	FJFHTVDDRBYINW-SECBINFHSA-N	-2	0	349.347	-0.690	20	0		EBADRL
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)c1nnn[n-]1	ZINC001594186712	959135635	/nfs/dbraw/zinc/13/56/35/959135635.db2.gz	WUMYEJFSBLOMMU-QMMMGPOBSA-N	-2	0	329.382	-0.009	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)cn1	ZINC001571180208	962149125	/nfs/dbraw/zinc/14/91/25/962149125.db2.gz	HDCIQYCVGKMNDK-VIFPVBQESA-N	-2	0	328.350	-0.065	20	0		EBADRL
O=C([O-])Cc1ccc(S(=O)(=O)NCc2nc(=O)o[n-]2)cc1F	ZINC001571196796	962324023	/nfs/dbraw/zinc/32/40/23/962324023.db2.gz	YJRIWEGMNKMROP-UHFFFAOYSA-N	-2	0	331.281	-0.392	20	0		EBADRL
CC(C)n1cnnc1SCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-]	ZINC001592150110	977020728	/nfs/dbraw/zinc/02/07/28/977020728.db2.gz	UAGJVAOHIDNRGZ-ZETCQYMHSA-N	-2	0	336.395	-0.130	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-])C(=O)[O-]	ZINC001592809584	979490139	/nfs/dbraw/zinc/49/01/39/979490139.db2.gz	XQJIGCIDZAVGER-HTRCEHHLSA-N	-2	0	339.757	-0.370	20	0		EBADRL
CC[C@](COC)([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001595199431	979939816	/nfs/dbraw/zinc/93/98/16/979939816.db2.gz	GAHSSNCESZHWKY-SNVBAGLBSA-N	-2	0	328.412	-0.038	20	0		EBADRL
CCCCC(=O)N1CSC[C@@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001595626838	981765408	/nfs/dbraw/zinc/76/54/08/981765408.db2.gz	CMQXDXGWXAVVIQ-MRVPVSSYSA-N	-2	0	338.407	-0.391	20	0		EBADRL
CCCn1cc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])nn1	ZINC001596111727	983440125	/nfs/dbraw/zinc/44/01/25/983440125.db2.gz	BIFLIHCYSOUGRI-UHFFFAOYSA-N	-2	0	345.362	-0.039	20	0		EBADRL
CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001589061306	985184138	/nfs/dbraw/zinc/18/41/38/985184138.db2.gz	WYZSXVRXWPXUML-CYBMUJFWSA-N	-2	0	334.394	-0.198	20	0		EBADRL
Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2nnnn2C)c(C)c1C(=O)[O-]	ZINC001599948250	985566021	/nfs/dbraw/zinc/56/60/21/985566021.db2.gz	XSGUSCSNWORPLR-UHFFFAOYSA-N	-2	0	341.349	-0.349	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1scc(C)c1C(=O)[O-]	ZINC001596967963	986179587	/nfs/dbraw/zinc/17/95/87/986179587.db2.gz	GRMXBIAIMXRROI-UHFFFAOYSA-N	-2	0	329.334	-0.123	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C	ZINC001589450258	986839383	/nfs/dbraw/zinc/83/93/83/986839383.db2.gz	CCIRVXJUKXNWKL-RQJHMYQMSA-N	-2	0	331.350	-0.707	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC001589450435	986840454	/nfs/dbraw/zinc/84/04/54/986840454.db2.gz	DAWPDIITOBUICR-SFYZADRCSA-N	-2	0	347.397	-0.474	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC001589453655	986864998	/nfs/dbraw/zinc/86/49/98/986864998.db2.gz	HOXCRTXNKRDTQX-RNFRBKRXSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1	ZINC001589454141	986873871	/nfs/dbraw/zinc/87/38/71/986873871.db2.gz	LYQBGISVWWWDPL-BQBZGAKWSA-N	-2	0	327.322	-0.707	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1	ZINC001589490660	987055348	/nfs/dbraw/zinc/05/53/48/987055348.db2.gz	CXQUUKSOHRRTHU-VIFPVBQESA-N	-2	0	338.345	-0.141	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1c(C(F)(F)F)cnn1C	ZINC001589491236	987058479	/nfs/dbraw/zinc/05/84/79/987058479.db2.gz	IXPAJMGVWADCBO-SCSAIBSYSA-N	-2	0	329.256	-0.028	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(CS(C)(=O)=O)c1	ZINC001589491846	987060760	/nfs/dbraw/zinc/06/07/60/987060760.db2.gz	OKDYVONHWJHYFQ-QMMMGPOBSA-N	-2	0	349.386	-0.236	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC001589492806	987065348	/nfs/dbraw/zinc/06/53/48/987065348.db2.gz	YSVMJAIHBUYOAX-LURJTMIESA-N	-2	0	328.302	-0.450	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC001589493591	987068549	/nfs/dbraw/zinc/06/85/49/987068549.db2.gz	DHSZLHLGHIWURY-SRQIZXRXSA-N	-2	0	346.283	-0.637	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC001589493945	987068810	/nfs/dbraw/zinc/06/88/10/987068810.db2.gz	FPCMPLCSSAWNAU-PUSIOWJLSA-N	-2	0	346.405	-0.010	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C	ZINC001589495824	987074958	/nfs/dbraw/zinc/07/49/58/987074958.db2.gz	RDXAGJCUJBASEY-IUCAKERBSA-N	-2	0	334.394	-0.057	20	0		EBADRL
CCC(=O)C[C@@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-]	ZINC001594695662	987117548	/nfs/dbraw/zinc/11/75/48/987117548.db2.gz	KXEYTYBPEUYPKP-ZCFIWIBFSA-N	-2	0	336.347	-0.058	20	0		EBADRL
CCc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])nn1	ZINC001597603615	988470744	/nfs/dbraw/zinc/47/07/44/988470744.db2.gz	LBRLKYLPIBFEQD-UHFFFAOYSA-N	-2	0	338.345	-0.026	20	0		EBADRL
CC(C)(CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@]2(CCOC2)C1)C(=O)[O-]	ZINC001590789318	990612736	/nfs/dbraw/zinc/61/27/36/990612736.db2.gz	RECVHDLEVRGWEY-NOZJJQNGSA-N	-2	0	335.378	-0.150	20	0		EBADRL
CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1=O	ZINC001598578637	993311834	/nfs/dbraw/zinc/31/18/34/993311834.db2.gz	JUSZBMDXTFLHSH-LLVKDONJSA-N	-2	0	340.357	-0.191	20	0		EBADRL
C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001593181152	994068323	/nfs/dbraw/zinc/06/83/23/994068323.db2.gz	HYCXYNQQXCUSTP-QMMMGPOBSA-N	-2	0	346.361	-0.045	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])n1	ZINC001598659664	994575175	/nfs/dbraw/zinc/57/51/75/994575175.db2.gz	YIPJVWKAZANFQQ-SFYZADRCSA-N	-2	0	343.361	-0.390	20	0		EBADRL
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])(C1)C2	ZINC001598727442	995531728	/nfs/dbraw/zinc/53/17/28/995531728.db2.gz	UZZNBUUKUVGSGV-RSRXSIIXSA-N	-2	0	333.362	-0.115	20	0		EBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)CC1	ZINC001598799330	996128473	/nfs/dbraw/zinc/12/84/73/996128473.db2.gz	MQBPRRHLEDSAQK-UHFFFAOYSA-N	-2	0	334.350	-0.903	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)C(=O)[O-]	ZINC001598840105	996518537	/nfs/dbraw/zinc/51/85/37/996518537.db2.gz	NNPPGYSIRFJAMH-SNVBAGLBSA-N	-2	0	345.329	-0.392	20	0		EBADRL
CC1(C)CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001593874305	996689151	/nfs/dbraw/zinc/68/91/51/996689151.db2.gz	JVKSMQXQYSODJT-SECBINFHSA-N	-2	0	331.350	-0.016	20	0		EBADRL
COc1ccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC001599485235	996837053	/nfs/dbraw/zinc/83/70/53/996837053.db2.gz	GFRQAJLGQOUYCP-UHFFFAOYSA-N	-2	0	343.361	-0.139	20	0		EBADRL
COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001598884018	996859166	/nfs/dbraw/zinc/85/91/66/996859166.db2.gz	FEVLWOJAZKBENH-YFKPBYRVSA-N	-2	0	336.347	-0.004	20	0		EBADRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CCO)CC(=O)[O-]	ZINC001599384685	996922301	/nfs/dbraw/zinc/92/23/01/996922301.db2.gz	SAGKGVJTKYGYPO-UHFFFAOYSA-N	-2	0	339.347	-0.478	20	0		EBADRL
COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598901712	997183244	/nfs/dbraw/zinc/18/32/44/997183244.db2.gz	MEVMBBYEHUEKTR-OIBJUYFYSA-N	-2	0	333.318	-0.105	20	0		EBADRL
COC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])O1	ZINC001598904659	997242444	/nfs/dbraw/zinc/24/24/44/997242444.db2.gz	BQFCZPKSHACQTE-LURQLKTLSA-N	-2	0	337.350	-0.738	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1	ZINC001599321327	997586095	/nfs/dbraw/zinc/58/60/95/997586095.db2.gz	ZCKZVGNIQBQKJD-UHFFFAOYSA-N	-2	0	329.353	-0.545	20	0		EBADRL
C[C@@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc2N1C	ZINC001594130470	998342370	/nfs/dbraw/zinc/34/23/70/998342370.db2.gz	UFXDLWYORBMJEY-SSDOTTSWSA-N	-2	0	341.345	-0.392	20	0		EBADRL
COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])n1	ZINC001599270622	998540635	/nfs/dbraw/zinc/54/06/35/998540635.db2.gz	AIPSBBBQPUFARK-DTWKUNHWSA-N	-2	0	333.366	-0.302	20	0		EBADRL
COC(=O)c1cncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC001599009461	998885006	/nfs/dbraw/zinc/88/50/06/998885006.db2.gz	OXCICFAWUOQZGA-UHFFFAOYSA-N	-2	0	330.318	-0.207	20	0		EBADRL
CO[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1cnn(C)c1	ZINC001599028017	999029997	/nfs/dbraw/zinc/02/99/97/999029997.db2.gz	HXSGONHKHAYGPU-SECBINFHSA-N	-2	0	333.366	-0.336	20	0		EBADRL
CCn1[n-]nnc1=NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001365199434	1132577118	/nfs/dbraw/zinc/57/71/18/1132577118.db2.gz	FKWLBEWJUFHMSW-SNVBAGLBSA-N	-2	0	335.290	-0.210	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000316700378	378508514	/nfs/dbraw/zinc/50/85/14/378508514.db2.gz	BWENYDQVGALZBY-MRVPVSSYSA-N	-2	0	329.290	-0.938	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275082415	291713452	/nfs/dbraw/zinc/71/34/52/291713452.db2.gz	IXKWHGWBLHSRFU-IWSPIJDZSA-N	-2	0	337.350	-0.767	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274881428	379719934	/nfs/dbraw/zinc/71/99/34/379719934.db2.gz	CYPOFFIUNFMQMV-YFKPBYRVSA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)c1ccc(F)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274912808	379721733	/nfs/dbraw/zinc/72/17/33/379721733.db2.gz	LDCVKPOJVIUBHG-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COc1cncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000281746528	380038396	/nfs/dbraw/zinc/03/83/96/380038396.db2.gz	FILQZEQBIRCDNH-WDEREUQCSA-N	-2	0	344.345	-0.114	20	0		EBADRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c(F)c1	ZINC000547548398	380143246	/nfs/dbraw/zinc/14/32/46/380143246.db2.gz	KLAAWJQBYHQQGQ-MRVPVSSYSA-N	-2	0	333.272	-0.557	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000548212120	380190529	/nfs/dbraw/zinc/19/05/29/380190529.db2.gz	ILHNUDAMTJXZCM-ZETCQYMHSA-N	-2	0	349.317	-0.090	20	0		EBADRL
COCCN(CCOC)C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000551593424	380267592	/nfs/dbraw/zinc/26/75/92/380267592.db2.gz	XJGXXXLIYFOCFO-MNOVXSKESA-N	-2	0	332.353	-0.192	20	0		EBADRL
CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548528462	380211890	/nfs/dbraw/zinc/21/18/90/380211890.db2.gz	DVLIWLXGDTXJPI-LURJTMIESA-N	-2	0	349.317	-0.165	20	0		EBADRL
COC(=O)c1c[nH]c(C(=O)OC)c1NS(=O)(=O)N1CCOCC1	ZINC000340733577	380613972	/nfs/dbraw/zinc/61/39/72/380613972.db2.gz	GSHZHTDCHNWTLD-UHFFFAOYSA-N	-2	0	347.349	-0.423	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])s1	ZINC000298854854	155138845	/nfs/dbraw/zinc/13/88/45/155138845.db2.gz	KZQVPTQWFVJOBJ-UHFFFAOYSA-N	-2	0	336.347	-0.986	20	0		EBADRL
C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000261725815	154197486	/nfs/dbraw/zinc/19/74/86/154197486.db2.gz	RRAWJFQHKKJSTQ-YFKPBYRVSA-N	-2	0	328.306	-0.470	20	0		EBADRL
C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000296918603	155080031	/nfs/dbraw/zinc/08/00/31/155080031.db2.gz	KOKDVJZTRVHZMW-FFWSUHOLSA-N	-2	0	335.725	-0.012	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1	ZINC000575076507	420660012	/nfs/dbraw/zinc/66/00/12/420660012.db2.gz	LGEGQVLRNJGAKW-UHFFFAOYSA-N	-2	0	337.321	0.047	20	0		EBADRL
O=C([O-])CCC[C@@H](NS(=O)(=O)c1cnc2n1CCC2)C(=O)[O-]	ZINC000683925204	546359023	/nfs/dbraw/zinc/35/90/23/546359023.db2.gz	JUAYZXVQECYWFB-MRVPVSSYSA-N	-2	0	331.350	-0.184	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)[O-])CC1	ZINC000738039521	582616799	/nfs/dbraw/zinc/61/67/99/582616799.db2.gz	WZRHYHXKSJULMX-UHFFFAOYSA-N	-2	0	336.366	-0.224	20	0		EBADRL
C[C@@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736632085	582947159	/nfs/dbraw/zinc/94/71/59/582947159.db2.gz	SAYPTIURXLDGMO-SECBINFHSA-N	-2	0	334.394	-0.008	20	0		EBADRL
C[C@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736660026	582948122	/nfs/dbraw/zinc/94/81/22/582948122.db2.gz	CKVMYCLHOYLIHP-QMMMGPOBSA-N	-2	0	332.334	-0.291	20	0		EBADRL
CCc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000749754782	583131315	/nfs/dbraw/zinc/13/13/15/583131315.db2.gz	VLDNBLBFASNDDK-UHFFFAOYSA-N	-2	0	344.345	-0.574	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cn1	ZINC000759425763	583213485	/nfs/dbraw/zinc/21/34/85/583213485.db2.gz	LDRQUZBAMJVKHL-UHFFFAOYSA-N	-2	0	342.299	-0.318	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776443702	583404540	/nfs/dbraw/zinc/40/45/40/583404540.db2.gz	IPZWDWXQXWCWBQ-SECBINFHSA-N	-2	0	329.286	-0.437	20	0		EBADRL
O=C([O-])/C=C\CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000788445592	583531260	/nfs/dbraw/zinc/53/12/60/583531260.db2.gz	GVJHRZYHTXTNHF-UPHRSURJSA-N	-2	0	326.290	-0.645	20	0		EBADRL
CCNS(=O)(=O)c1ccc(F)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1	ZINC000820291487	583770875	/nfs/dbraw/zinc/77/08/75/583770875.db2.gz	HKESZRBQCVQZGW-UHFFFAOYSA-N	-2	0	345.312	-0.490	20	0		EBADRL
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)[N-]n1c(=O)[n-][nH]c1=O	ZINC000820292908	583771212	/nfs/dbraw/zinc/77/12/12/583771212.db2.gz	XBQYZGHQLUYMKY-UHFFFAOYSA-N	-2	0	331.310	-0.775	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1	ZINC000821198573	583786643	/nfs/dbraw/zinc/78/66/43/583786643.db2.gz	ONMWUPLDJIBEGG-UHFFFAOYSA-N	-2	0	332.367	-0.248	20	0		EBADRL
CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000823579056	583834316	/nfs/dbraw/zinc/83/43/16/583834316.db2.gz	DJGAZKADQKYXKD-NSHDSACASA-N	-2	0	349.409	-0.119	20	0		EBADRL
C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000824867497	583851624	/nfs/dbraw/zinc/85/16/24/583851624.db2.gz	CPJWMUUBDHEGOR-LURJTMIESA-N	-2	0	349.390	-0.102	20	0		EBADRL
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000827007108	583913972	/nfs/dbraw/zinc/91/39/72/583913972.db2.gz	SIJIUBXSDRYZLE-SNVBAGLBSA-N	-2	0	337.336	-0.592	20	0		EBADRL
C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000827368510	583920116	/nfs/dbraw/zinc/92/01/16/583920116.db2.gz	DRPSDIKERGEVCP-JTQLQIEISA-N	-2	0	348.363	-0.921	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828670063	583944701	/nfs/dbraw/zinc/94/47/01/583944701.db2.gz	BFZDRTZQUPIBMA-IUCAKERBSA-N	-2	0	336.366	-0.178	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000828671018	583944869	/nfs/dbraw/zinc/94/48/69/583944869.db2.gz	PJFFZQKBEAVXMY-SSDOTTSWSA-N	-2	0	340.379	-0.562	20	0		EBADRL
COc1ncc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000829661004	583955389	/nfs/dbraw/zinc/95/53/89/583955389.db2.gz	VGBCFXMRHUNINM-QMMMGPOBSA-N	-2	0	330.322	-0.703	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)n[n-]1	ZINC000829699600	583957249	/nfs/dbraw/zinc/95/72/49/583957249.db2.gz	MHYUPHXOSGUPNT-BQBZGAKWSA-N	-2	0	331.354	-0.027	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000829732054	583957713	/nfs/dbraw/zinc/95/77/13/583957713.db2.gz	TWOSSZPFGMGBKU-MRVPVSSYSA-N	-2	0	341.411	-0.931	20	0		EBADRL
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000830999282	583973979	/nfs/dbraw/zinc/97/39/79/583973979.db2.gz	HJUDIZYPVPRMRU-PBKGFPTLSA-N	-2	0	328.350	-0.368	20	0		EBADRL
NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)s1	ZINC000831222635	583979641	/nfs/dbraw/zinc/97/96/41/583979641.db2.gz	NSSNWDRLEDOHHE-ZCFIWIBFSA-N	-2	0	347.374	-0.341	20	0		EBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)c1cnccn1	ZINC000831414470	583982569	/nfs/dbraw/zinc/98/25/69/583982569.db2.gz	OPCLZKIKNOMSGM-MRVPVSSYSA-N	-2	0	346.390	-0.233	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)N1CCCC1	ZINC000831475093	583983290	/nfs/dbraw/zinc/98/32/90/583983290.db2.gz	XNOGJCUHLMONJB-SNVBAGLBSA-N	-2	0	335.382	-0.398	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)Cn2ccccc2=O)C1	ZINC000831567507	583985728	/nfs/dbraw/zinc/98/57/28/583985728.db2.gz	QLOHMCQQBFJMPW-SECBINFHSA-N	-2	0	329.334	-0.953	20	0		EBADRL
COCCC1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC000831676745	583989435	/nfs/dbraw/zinc/98/94/35/583989435.db2.gz	VWBHAMPGXPJOEL-UHFFFAOYSA-N	-2	0	334.394	-0.039	20	0		EBADRL
O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1	ZINC000831998762	583994364	/nfs/dbraw/zinc/99/43/64/583994364.db2.gz	WBBGDDJNRAKJKS-NXEZZACHSA-N	-2	0	340.340	-0.741	20	0		EBADRL
NC(=O)CCn1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000833082399	584004719	/nfs/dbraw/zinc/00/47/19/584004719.db2.gz	PULQXSQSZKYXSH-UHFFFAOYSA-N	-2	0	327.322	-0.414	20	0		EBADRL
O=C([O-])c1cn(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)nn1	ZINC000833121189	584006008	/nfs/dbraw/zinc/00/60/08/584006008.db2.gz	BLMPLJGKYOIHHZ-UHFFFAOYSA-N	-2	0	330.260	-0.042	20	0		EBADRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CC1	ZINC000834086231	584026097	/nfs/dbraw/zinc/02/60/97/584026097.db2.gz	CEHOQVYHBTYXQN-ZJUUUORDSA-N	-2	0	336.352	-0.120	20	0		EBADRL
O=C([O-])N1CCOC[C@H]1c1noc(Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC000834119966	584026586	/nfs/dbraw/zinc/02/65/86/584026586.db2.gz	SSYUMZNSIXYVAU-QMMMGPOBSA-N	-2	0	347.291	-0.446	20	0		EBADRL
O=C([O-])Nc1cnc(C(=O)[N-]S(=O)(=O)Cc2ccon2)cn1	ZINC000834276892	584030168	/nfs/dbraw/zinc/03/01/68/584030168.db2.gz	BMVQLDXLUXTUHV-UHFFFAOYSA-N	-2	0	327.278	-0.186	20	0		EBADRL
O=C([O-])N1CCSC[C@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000834290964	584030926	/nfs/dbraw/zinc/03/09/26/584030926.db2.gz	VAXWDIMLFVDXHH-RKDXNWHRSA-N	-2	0	342.377	-0.766	20	0		EBADRL
O=C([O-])CCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851702968	584200759	/nfs/dbraw/zinc/20/07/59/584200759.db2.gz	NVPZAONXIIZNFF-HZGVNTEJSA-N	-2	0	340.254	-0.026	20	0		EBADRL
Cn1ncc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC000852736966	584215123	/nfs/dbraw/zinc/21/51/23/584215123.db2.gz	PTNISHBOILSTHC-DTWKUNHWSA-N	-2	0	335.286	-0.089	20	0		EBADRL
Cn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C(=O)[O-]	ZINC000853061714	584222979	/nfs/dbraw/zinc/22/29/79/584222979.db2.gz	FKQLHQPJFWLAAU-MRVPVSSYSA-N	-2	0	332.334	-0.413	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000013027332	584310756	/nfs/dbraw/zinc/31/07/56/584310756.db2.gz	SAGSWYQQWQEHPG-VIFPVBQESA-N	-3	0	331.302	-0.019	20	0		EBADRL
O=C([N-]N1CCOC1=O)c1ccc(C(=O)[N-]N2CCOC2=O)s1	ZINC000862703121	584356401	/nfs/dbraw/zinc/35/64/01/584356401.db2.gz	KKDZOUSGSAHKBH-UHFFFAOYSA-N	-2	0	340.317	-0.058	20	0		EBADRL
CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000863953470	584380873	/nfs/dbraw/zinc/38/08/73/584380873.db2.gz	VXAFCWPZLMSHJS-VIFPVBQESA-N	-2	0	331.350	-0.714	20	0		EBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1	ZINC000863955616	584381170	/nfs/dbraw/zinc/38/11/70/584381170.db2.gz	RYYVRLCMDNHOIM-UHFFFAOYSA-N	-2	0	335.359	-0.240	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)CCOCC1	ZINC000863957984	584381337	/nfs/dbraw/zinc/38/13/37/584381337.db2.gz	LBLBDLQVYWAKCH-JTQLQIEISA-N	-2	0	335.378	-0.117	20	0		EBADRL
NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1	ZINC000863961844	584381700	/nfs/dbraw/zinc/38/17/00/584381700.db2.gz	BSHYUDMDQPMMRN-LLVKDONJSA-N	-2	0	340.357	-0.158	20	0		EBADRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739938058	599797429	/nfs/dbraw/zinc/79/74/29/599797429.db2.gz	NJQNVJULTYUJLJ-UHFFFAOYSA-N	-2	0	340.321	-0.875	20	0		EBADRL
Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NCc1nnn[n-]1	ZINC000738473297	600341236	/nfs/dbraw/zinc/34/12/36/600341236.db2.gz	LPMABGNTJRQLJL-UHFFFAOYSA-N	-2	0	334.292	-0.774	20	0		EBADRL
O=C([O-])NC[C@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740623967	602507421	/nfs/dbraw/zinc/50/74/21/602507421.db2.gz	PGEFWXBADCHIHR-SECBINFHSA-N	-2	0	334.336	-0.280	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4n[nH]c(C)c4[O-])C[C@H]32)c1[O-]	ZINC000976366724	726278189	/nfs/dbraw/zinc/27/81/89/726278189.db2.gz	UUPWUEXSVFGTGY-BRPSZJMVSA-N	-2	0	346.347	-0.339	20	0		EBADRL
CC(=O)Nc1nc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cs1	ZINC001222879424	811664093	/nfs/dbraw/zinc/66/40/93/811664093.db2.gz	CUEZAKYSZUNGSX-IONNQARKSA-N	-2	0	346.317	-0.319	20	0		EBADRL
COC(=O)c1ccoc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223069078	811680962	/nfs/dbraw/zinc/68/09/62/811680962.db2.gz	ZYIMCGRVUWBNLJ-XCBNKYQSSA-N	-2	0	330.245	-0.354	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(-n2ccnn2)cc1)[C@H](O)C(=O)[O-]	ZINC001224192871	811749224	/nfs/dbraw/zinc/74/92/24/811749224.db2.gz	SRZDNPMSEAHSEK-YPMHNXCESA-N	-2	0	349.299	-0.153	20	0		EBADRL
CC(C)(C)OC(=O)NCCCOC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001224657689	811769647	/nfs/dbraw/zinc/76/96/47/811769647.db2.gz	OATHSJGUHCOSGO-MRVPVSSYSA-N	-2	0	343.269	-0.085	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OC[C@H]1COc2ccccc2O1)[C@@H](O)C(=O)[O-]	ZINC001225038096	811789039	/nfs/dbraw/zinc/78/90/39/811789039.db2.gz	GSMLRYIBOSCGPP-JRKPZEMJSA-N	-2	0	340.284	-0.094	20	0		EBADRL
NC(=O)c1ccc(Cl)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225393999	811807968	/nfs/dbraw/zinc/80/79/68/811807968.db2.gz	LFAOHEFPPQGUFW-OIBJUYFYSA-N	-2	0	345.691	-0.119	20	0		EBADRL
CNC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001225420206	811809434	/nfs/dbraw/zinc/80/94/34/811809434.db2.gz	VJBFPGSUPNAJCY-GXSJLCMTSA-N	-2	0	325.273	-0.512	20	0		EBADRL
CCn1c(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1=O	ZINC001225440856	811810672	/nfs/dbraw/zinc/81/06/72/811810672.db2.gz	AILXQGCQAGIYSJ-CABZTGNLSA-N	-2	0	327.289	-0.382	20	0		EBADRL
CCn1c(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1=O	ZINC001225440859	811811092	/nfs/dbraw/zinc/81/10/92/811811092.db2.gz	AILXQGCQAGIYSJ-JOYOIKCWSA-N	-2	0	327.289	-0.382	20	0		EBADRL
CCNC(=O)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225482904	811813048	/nfs/dbraw/zinc/81/30/48/811813048.db2.gz	DGEDHPZTKDMAHE-SECBINFHSA-N	-2	0	333.233	-0.188	20	0		EBADRL
O=C(Oc1ncc(Br)cn1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225560972	811817349	/nfs/dbraw/zinc/81/73/49/811817349.db2.gz	PHWYWGUVSCFJBK-RXMQYKEDSA-N	-2	0	343.026	-0.385	20	0		EBADRL
CC(=O)c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1O	ZINC001226484736	811866347	/nfs/dbraw/zinc/86/63/47/811866347.db2.gz	INRMBFBBSVHNOR-MRVPVSSYSA-N	-2	0	336.189	-0.324	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1OCCO2)[C@H](O)C(=O)[O-]	ZINC001226627406	811875276	/nfs/dbraw/zinc/87/52/76/811875276.db2.gz	HPNNTPCNEJCCNY-CPCISQLKSA-N	-2	0	326.257	-0.100	20	0		EBADRL
O=C(Oc1ccc2c(c1)NC(=O)CC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001226868809	811888284	/nfs/dbraw/zinc/88/82/84/811888284.db2.gz	NSIYTHCADPYZJJ-SNVBAGLBSA-N	-2	0	331.217	-0.053	20	0		EBADRL
COC(=O)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226948065	811891869	/nfs/dbraw/zinc/89/18/69/811891869.db2.gz	CPSCFZHGMMODJF-WKEGUHRASA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C(Oc1cc(Br)ncn1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227036937	811899212	/nfs/dbraw/zinc/89/92/12/811899212.db2.gz	WONDQVNXEGRHGW-SCSAIBSYSA-N	-2	0	343.026	-0.385	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(Br)ncn1)[C@H](O)C(=O)[O-]	ZINC001227036545	811899292	/nfs/dbraw/zinc/89/92/92/811899292.db2.gz	ICEMQOJWVBEASU-VHWMUFPASA-N	-2	0	349.093	-0.319	20	0		EBADRL
COC(=O)c1c(O)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227152852	811907576	/nfs/dbraw/zinc/90/75/76/811907576.db2.gz	FFFRHGRBSAULFH-KSBSHMNSSA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2[nH]ccc21)[C@@H](O)C(=O)[O-]	ZINC001227274941	811914200	/nfs/dbraw/zinc/91/42/00/811914200.db2.gz	QUFZMQKCHAMGFY-CAHLUQPWSA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ncsc21)[C@H](O)C(=O)[O-]	ZINC001227612719	811929815	/nfs/dbraw/zinc/92/98/15/811929815.db2.gz	ZPBKYBMEZJOQIZ-WUJLRWPWSA-N	-3	0	343.273	-0.766	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ncsc21)[C@@H](O)C(=O)[O-]	ZINC001227612722	811929884	/nfs/dbraw/zinc/92/98/84/811929884.db2.gz	ZPBKYBMEZJOQIZ-WVZVXSGGSA-N	-3	0	343.273	-0.766	20	0		EBADRL
COC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227599526	811930050	/nfs/dbraw/zinc/93/00/50/811930050.db2.gz	CQRLCEDHDINHJQ-KCJUWKMLSA-N	-2	0	326.257	-0.085	20	0		EBADRL
CCOC(=O)Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cn1	ZINC001227804455	811942464	/nfs/dbraw/zinc/94/24/64/811942464.db2.gz	AEMHSDSFHAAKNH-SNVBAGLBSA-N	-2	0	349.232	-0.437	20	0		EBADRL
CCOC(=O)c1cncc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001228559993	811987122	/nfs/dbraw/zinc/98/71/22/811987122.db2.gz	IQSASLMBVOQXSY-GXSJLCMTSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(-c2cccnc2)n1)[C@H](O)C(=O)[O-]	ZINC001228697062	811994583	/nfs/dbraw/zinc/99/45/83/811994583.db2.gz	GHRYKFKFTQPGGA-CBAPKCEASA-N	-2	0	336.260	-0.692	20	0		EBADRL
CSc1nc(C)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228913617	812006224	/nfs/dbraw/zinc/00/62/24/812006224.db2.gz	UKGLCECHSMWKGU-RCOVLWMOSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001229101951	812011591	/nfs/dbraw/zinc/01/15/91/812011591.db2.gz	BAQAZTZVGWGUCJ-LDYMZIIASA-N	-2	0	326.261	-0.518	20	0		EBADRL
CC(=O)c1c(=O)oc(C)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229185523	812016635	/nfs/dbraw/zinc/01/66/35/812016635.db2.gz	FLDNRXHFRWSYRM-SSDOTTSWSA-N	-2	0	336.189	-0.474	20	0		EBADRL
COCC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001229741930	812053868	/nfs/dbraw/zinc/05/38/68/812053868.db2.gz	SYHKMHWBPTVRMP-LLVKDONJSA-N	-2	0	334.217	-0.109	20	0		EBADRL
COC(=O)Cc1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001229755196	812054094	/nfs/dbraw/zinc/05/40/94/812054094.db2.gz	ULSAHGHGXHGNRO-SNVBAGLBSA-N	-2	0	334.217	-0.222	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F	ZINC001229890616	812060254	/nfs/dbraw/zinc/06/02/54/812060254.db2.gz	BGGNGMSMSRPSGF-XCBNKYQSSA-N	-2	0	329.236	-0.634	20	0		EBADRL
Nc1nc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2s1	ZINC001229994472	812067228	/nfs/dbraw/zinc/06/72/28/812067228.db2.gz	YMCYUMVMZIYDAV-RNHFCUEFSA-N	-2	0	341.301	-0.285	20	0		EBADRL
COc1cnc(SC)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230034365	812069407	/nfs/dbraw/zinc/06/94/07/812069407.db2.gz	HKTYMZMNWAYUMI-XRGYYRRGSA-N	-2	0	346.317	-0.351	20	0		EBADRL
CCOc1cc(Cl)nnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233685273	812328321	/nfs/dbraw/zinc/32/83/21/812328321.db2.gz	HXMODKKSVPINHH-SSDLBLMSSA-N	-2	0	348.695	-0.030	20	0		EBADRL
O=c1c([O-])c(OC(=C([O-])c2ccco2)c2ccco2)c(=O)c(=O)c1=O	ZINC001234376943	812418196	/nfs/dbraw/zinc/41/81/96/812418196.db2.gz	VYSXRUNTSXSGJV-HNNXBMFYSA-N	-2	0	344.231	-0.102	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nccc(-c2ccncc2)n1)[C@@H](O)C(=O)[O-]	ZINC001234674481	812448186	/nfs/dbraw/zinc/44/81/86/812448186.db2.gz	KXPWXNLKXUSEEJ-BXKDBHETSA-N	-2	0	347.283	-0.020	20	0		EBADRL
CC(=O)c1c(O)cc(C)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234667179	812448311	/nfs/dbraw/zinc/44/83/11/812448311.db2.gz	FUQJHUGKJOBMQE-MRVPVSSYSA-N	-2	0	335.205	-0.326	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@H]1CN(Cc2ccccc2)CC1=O	ZINC001181571329	833166940	/nfs/dbraw/zinc/16/69/40/833166940.db2.gz	KYUWANSLWJHAOV-LBPRGKRZSA-N	-2	0	342.288	-0.087	20	0		EBADRL
CN1c2cnc(NCCOP(=O)([O-])[O-])nc2N2CCC[C@@H]2C1=O	ZINC001157791405	831592715	/nfs/dbraw/zinc/59/27/15/831592715.db2.gz	MYIXNOLRKDRIIQ-MRVPVSSYSA-N	-2	0	343.280	-0.057	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@H](O)[C@@H](CO)C1	ZINC001189872065	834203999	/nfs/dbraw/zinc/20/39/99/834203999.db2.gz	SPWODGSMKMFWQE-KOLCDFICSA-N	-2	0	331.261	-0.027	20	0		EBADRL
O=C(NC1CN(C2COC2)C1)c1ccccc1OP(=O)([O-])[O-]	ZINC001189899895	834206745	/nfs/dbraw/zinc/20/67/45/834206745.db2.gz	XBNNKPJASCKNSU-UHFFFAOYSA-N	-2	0	328.261	-0.029	20	0		EBADRL
CS(=O)(=O)Cc1ncccc1C(=O)NCCOP(=O)([O-])[O-]	ZINC001196061031	835339919	/nfs/dbraw/zinc/33/99/19/835339919.db2.gz	CFELMFMOJYVCAY-UHFFFAOYSA-N	-2	0	338.278	-0.535	20	0		EBADRL
COc1ccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001204807245	836530997	/nfs/dbraw/zinc/53/09/97/836530997.db2.gz	ZZDLIPZLZBQFNA-ZWNOBZJWSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C(COCC(=O)[N-]OC[C@@H]1CCOC1)[N-]OC[C@@H]1CCOC1	ZINC001338861521	842873547	/nfs/dbraw/zinc/87/35/47/842873547.db2.gz	OXDSNODUGFWQNX-VXGBXAGGSA-N	-2	0	332.353	-0.828	20	0		EBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1	ZINC000314828748	950829285	/nfs/dbraw/zinc/82/92/85/950829285.db2.gz	QHSVLRIZNZGGBY-SNVBAGLBSA-N	-2	0	332.290	-0.226	20	0		EBADRL
O=C([O-])CCC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC001594996656	951087505	/nfs/dbraw/zinc/08/75/05/951087505.db2.gz	FXDLCTPYMBSNNE-UHFFFAOYSA-N	-2	0	325.306	-0.668	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)c2cc[nH]n2)c1	ZINC001595123136	951981857	/nfs/dbraw/zinc/98/18/57/951981857.db2.gz	AHEUAIPUMFKHLW-UHFFFAOYSA-N	-2	0	325.302	-0.008	20	0		EBADRL
O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1ccc2n[nH]nc2c1	ZINC001595126871	952017500	/nfs/dbraw/zinc/01/75/00/952017500.db2.gz	FJWVZGUVNZWTSG-UHFFFAOYSA-N	-2	0	330.347	-0.419	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)C(=O)[O-]	ZINC001595129010	952025566	/nfs/dbraw/zinc/02/55/66/952025566.db2.gz	QVISNAIMXQDDBG-JTQLQIEISA-N	-2	0	347.349	-0.559	20	0		EBADRL
CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)[N-]OCCO)C1	ZINC001602892055	971803119	/nfs/dbraw/zinc/80/31/19/971803119.db2.gz	DCJMZLSQNCBKKO-CYBMUJFWSA-N	-2	0	334.325	-0.883	20	0		EBADRL
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)NCCC(=O)[O-]	ZINC001593765276	954511667	/nfs/dbraw/zinc/51/16/67/954511667.db2.gz	UOXYQZBRZBCDST-UHFFFAOYSA-N	-2	0	338.345	-0.054	20	0		EBADRL
O=C([O-])[C@H]1CS(=O)(=O)CCN1CC(=O)[N-]OCc1ccccc1	ZINC001594695921	956771251	/nfs/dbraw/zinc/77/12/51/956771251.db2.gz	HOXJKSVFTKYKEC-GFCCVEGCSA-N	-2	0	342.373	-0.582	20	0		EBADRL
COC[C@@]1(C(=O)[O-])CN(S(=O)(=O)c2ccccc2[O-])CCO1	ZINC001574143277	962599563	/nfs/dbraw/zinc/59/95/63/962599563.db2.gz	OZCNXLFWQMQKNV-CYBMUJFWSA-N	-2	0	331.346	-0.117	20	0		EBADRL
Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001594537514	970233351	/nfs/dbraw/zinc/23/33/51/970233351.db2.gz	JTHZLSAGMGAKFF-NSCUHMNNSA-N	-2	0	326.290	-0.375	20	0		EBADRL
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@@H]2CC(C(=O)[O-])=NO2)C1	ZINC001603346064	972746334	/nfs/dbraw/zinc/74/63/34/972746334.db2.gz	DGXZTPBGMXYUGC-CPCISQLKSA-N	-2	0	337.254	-0.115	20	0		EBADRL
Cn1cc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1	ZINC001605496375	973660961	/nfs/dbraw/zinc/66/09/61/973660961.db2.gz	BGHVJGIGYSDBPJ-RKDXNWHRSA-N	-2	0	335.286	-0.089	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]CCN2C(=O)CCCC2=O)on1	ZINC000405471330	973887038	/nfs/dbraw/zinc/88/70/38/973887038.db2.gz	FMZCHKGLSACCNP-UHFFFAOYSA-N	-2	0	331.306	-0.810	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC001591858966	976152709	/nfs/dbraw/zinc/15/27/09/976152709.db2.gz	LXQIEIHBMJMTFS-PRJMDXOYSA-N	-2	0	326.271	-0.264	20	0		EBADRL
C[C@H](CS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1)C(=O)[O-]	ZINC001592806006	979466389	/nfs/dbraw/zinc/46/63/89/979466389.db2.gz	BEYRVIHOHLAIJA-ZYHUDNBSSA-N	-2	0	345.373	-0.269	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O	ZINC001595371533	980852295	/nfs/dbraw/zinc/85/22/95/980852295.db2.gz	GZTVWSSGPLBUNI-LBPRGKRZSA-N	-2	0	342.333	-0.306	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)C1=O	ZINC001595371532	980852390	/nfs/dbraw/zinc/85/23/90/980852390.db2.gz	GZTVWSSGPLBUNI-GFCCVEGCSA-N	-2	0	342.333	-0.306	20	0		EBADRL
C[S@](=O)(=NS(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1ccccc1F	ZINC001574643193	983265783	/nfs/dbraw/zinc/26/57/83/983265783.db2.gz	WCRGCIQNGZBSJT-FFVOIRBGSA-N	-2	0	340.354	-0.438	20	0		EBADRL
CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCC[C@H](C(=O)[O-])C1=O	ZINC001596512801	984287264	/nfs/dbraw/zinc/28/72/64/984287264.db2.gz	UYHXCVBXOFGWMP-VIFPVBQESA-N	-2	0	330.337	-0.301	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001596967598	986177206	/nfs/dbraw/zinc/17/72/06/986177206.db2.gz	ABCGCQOLAWROGS-OAHLLOKOSA-N	-2	0	343.380	-0.155	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F	ZINC001596967743	986178332	/nfs/dbraw/zinc/17/83/32/986178332.db2.gz	DJSIZXDTTFTQDS-UHFFFAOYSA-N	-2	0	327.268	-0.354	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1cccc(CCC(=O)[O-])c1	ZINC001596969371	986192270	/nfs/dbraw/zinc/19/22/70/986192270.db2.gz	ZJBWKFZFUCWGRW-UHFFFAOYSA-N	-2	0	337.332	-0.174	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2	ZINC001589454148	986873685	/nfs/dbraw/zinc/87/36/85/986873685.db2.gz	LZJWTVDQJDBDRP-YUMQZZPRSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2	ZINC001589454147	986873817	/nfs/dbraw/zinc/87/38/17/986873817.db2.gz	LZJWTVDQJDBDRP-SFYZADRCSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1	ZINC001589454822	986885157	/nfs/dbraw/zinc/88/51/57/986885157.db2.gz	RPCWVSHSLFAVAW-NKWVEPMBSA-N	-2	0	333.370	-0.403	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1	ZINC001589491177	987057414	/nfs/dbraw/zinc/05/74/14/987057414.db2.gz	IILYMVNAIFEFBB-MRVPVSSYSA-N	-2	0	346.336	-0.597	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	ZINC001589493469	987067684	/nfs/dbraw/zinc/06/76/84/987067684.db2.gz	CJMGVISRGAZGMQ-BUYFANAVSA-N	-2	0	336.391	-0.641	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21	ZINC001589495647	987075297	/nfs/dbraw/zinc/07/52/97/987075297.db2.gz	QBETUAMOVWIXBK-MRVPVSSYSA-N	-2	0	342.329	-0.669	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C[C@@H](C(=O)[O-])O1	ZINC001599850044	988997596	/nfs/dbraw/zinc/99/75/96/988997596.db2.gz	VGWMLOYEPKLURK-TVLCNXBWSA-N	-2	0	328.321	-0.990	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)N2CCSC[C@H]2c2nnn[n-]2)O[C@H]1C(=O)[O-]	ZINC001599873803	989391196	/nfs/dbraw/zinc/39/11/96/989391196.db2.gz	INSXBLNVYBQDIQ-BZNPZCIMSA-N	-2	0	327.366	-0.306	20	0		EBADRL
CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001590297709	989725374	/nfs/dbraw/zinc/72/53/74/989725374.db2.gz	WDBATMGGOYATHL-SFYZADRCSA-N	-2	0	336.366	-0.180	20	0		EBADRL
CC(C)(CS(=O)(=O)N1C[C@H](C(=O)[O-])[C@@]2(CCOC2)C1)C(=O)[O-]	ZINC001590789319	990612730	/nfs/dbraw/zinc/61/27/30/990612730.db2.gz	RECVHDLEVRGWEY-RNCFNFMXSA-N	-2	0	335.378	-0.150	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1	ZINC001599683737	990952877	/nfs/dbraw/zinc/95/28/77/990952877.db2.gz	XVNUBSIFURNJPM-OAQYLSRUSA-N	-3	0	349.386	-0.277	20	0		EBADRL
COc1ncccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001599736812	991787561	/nfs/dbraw/zinc/78/75/61/991787561.db2.gz	NFYULZOHHKXGDF-UHFFFAOYSA-N	-2	0	343.361	-0.139	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC001598551816	993012245	/nfs/dbraw/zinc/01/22/45/993012245.db2.gz	AORSHDGMTMPUPS-UHFFFAOYSA-N	-2	0	343.317	-0.763	20	0		EBADRL
COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1C(=O)[O-]	ZINC001599610567	993947506	/nfs/dbraw/zinc/94/75/06/993947506.db2.gz	GYGYNWXXTZDEJV-GMSGAONNSA-N	-2	0	345.329	-0.398	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c(CC(=O)[O-])c1	ZINC001599611284	993957644	/nfs/dbraw/zinc/95/76/44/993957644.db2.gz	FUMYINWBTAZJCJ-UHFFFAOYSA-N	-3	0	345.329	-0.008	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c1ccccc1	ZINC001593176339	994055401	/nfs/dbraw/zinc/05/54/01/994055401.db2.gz	TZFTUOHBEBCVLW-DTWKUNHWSA-N	-2	0	328.346	-0.276	20	0		EBADRL
C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)NCC(=O)[O-]	ZINC001593485679	995448607	/nfs/dbraw/zinc/44/86/07/995448607.db2.gz	SSPNZYKKZJAVLP-RXMQYKEDSA-N	-2	0	328.243	-0.424	20	0		EBADRL
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])(C1)C2	ZINC001598727443	995531780	/nfs/dbraw/zinc/53/17/80/995531780.db2.gz	UZZNBUUKUVGSGV-WBIOTGRQSA-N	-2	0	333.362	-0.115	20	0		EBADRL
CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001593874306	996689319	/nfs/dbraw/zinc/68/93/19/996689319.db2.gz	JVKSMQXQYSODJT-VIFPVBQESA-N	-2	0	331.350	-0.016	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)[O-]	ZINC001598867535	996716918	/nfs/dbraw/zinc/71/69/18/996716918.db2.gz	FKGWMSVHNVHHKJ-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(=O)[O-]	ZINC001598867777	996718725	/nfs/dbraw/zinc/71/87/25/996718725.db2.gz	JDHIDUCVHWAXPM-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1cccc(C)c1C(=O)[O-])C(=O)[O-]	ZINC001598868134	996721052	/nfs/dbraw/zinc/72/10/52/996721052.db2.gz	NGTGUDRGRBITKG-MRVPVSSYSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c[nH]1	ZINC001598920060	997547568	/nfs/dbraw/zinc/54/75/68/997547568.db2.gz	QWBXISCQFMCDHZ-NKWVEPMBSA-N	-2	0	332.334	-0.030	20	0		EBADRL
COc1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1C(=O)[O-]	ZINC001599457479	998212019	/nfs/dbraw/zinc/21/20/19/998212019.db2.gz	HRFYRRULIBYYHZ-SNVBAGLBSA-N	-2	0	345.329	-0.133	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NCCC(=O)[O-])c1	ZINC001598962923	998365270	/nfs/dbraw/zinc/36/52/70/998365270.db2.gz	HEPOHXZWDQETAS-UHFFFAOYSA-N	-2	0	331.302	-0.076	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC001599165086	998527838	/nfs/dbraw/zinc/52/78/38/998527838.db2.gz	CTOMXYDVTGKMPT-UWVGGRQHSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001599165090	998528592	/nfs/dbraw/zinc/52/85/92/998528592.db2.gz	CTOMXYDVTGKMPT-VHSXEESVSA-N	-2	0	337.394	-0.015	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCOC1	ZINC001599028344	999032350	/nfs/dbraw/zinc/03/23/50/999032350.db2.gz	LIKDXYBUJYCYPV-XCBNKYQSSA-N	-2	0	333.318	-0.166	20	0		EBADRL
C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001594294777	999134076	/nfs/dbraw/zinc/13/40/76/999134076.db2.gz	ANPWYECZLNGPMO-IUCAKERBSA-N	-2	0	331.350	-0.159	20	0		EBADRL
CO[C@@H](CS(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1)[C@@H]1CCOC1	ZINC001599060937	999264836	/nfs/dbraw/zinc/26/48/36/999264836.db2.gz	YGTWDIGEKRALBB-SCZZXKLOSA-N	-2	0	331.350	-0.032	20	0		EBADRL
COC(=O)Cc1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000290459347	291169557	/nfs/dbraw/zinc/16/95/57/291169557.db2.gz	DIPLYKOIYREHQE-JTQLQIEISA-N	-2	0	345.329	-0.392	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000148601836	377034656	/nfs/dbraw/zinc/03/46/56/377034656.db2.gz	CQRSKOHYEMJZMO-SECBINFHSA-N	-2	0	331.302	-0.321	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000317031782	377174045	/nfs/dbraw/zinc/17/40/45/377174045.db2.gz	SXRDHHUBXLMRJK-NSHDSACASA-N	-2	0	328.346	-0.193	20	0		EBADRL
COC(=O)c1ccc(=NCCCN=c2ccc(C(=O)OC)n[n-]2)[n-]n1	ZINC000603845129	378421782	/nfs/dbraw/zinc/42/17/82/378421782.db2.gz	GIIZEWLEZLMCAE-UHFFFAOYSA-N	-2	0	346.347	-0.402	20	0		EBADRL
COCCCNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000064940754	379038919	/nfs/dbraw/zinc/03/89/19/379038919.db2.gz	IDHANQSLRVHKQB-UHFFFAOYSA-N	-2	0	337.379	-0.025	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000274881426	379720743	/nfs/dbraw/zinc/72/07/43/379720743.db2.gz	CYPOFFIUNFMQMV-RXMQYKEDSA-N	-2	0	337.331	-0.259	20	0		EBADRL
CC(C)Cn1cnc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274937153	379724409	/nfs/dbraw/zinc/72/44/09/379724409.db2.gz	FLGLWRWTBUQCTL-SECBINFHSA-N	-2	0	333.366	-0.007	20	0		EBADRL
CC[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274989483	379729120	/nfs/dbraw/zinc/72/91/20/379729120.db2.gz	YVFFYRZCYYAPNY-ZETCQYMHSA-N	-2	0	328.306	-0.423	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275087346	379735398	/nfs/dbraw/zinc/73/53/98/379735398.db2.gz	JSBXFLDRUPLISN-PELKAZGASA-N	-2	0	337.350	-0.623	20	0		EBADRL
CCn1nccc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275083665	379736794	/nfs/dbraw/zinc/73/67/94/379736794.db2.gz	JCFRROQLBVJPEV-GFCCVEGCSA-N	-2	0	331.350	-0.157	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275134972	379737486	/nfs/dbraw/zinc/73/74/86/379737486.db2.gz	JGHXUKLQQYSALA-LURJTMIESA-N	-2	0	327.265	-0.646	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275202612	379741408	/nfs/dbraw/zinc/74/14/08/379741408.db2.gz	ZBKRAFMNELNWRJ-GFCCVEGCSA-N	-2	0	337.350	-0.479	20	0		EBADRL
Cn1cnc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000547556269	380143430	/nfs/dbraw/zinc/14/34/30/380143430.db2.gz	JZIFMUKDFUSNMP-VIFPVBQESA-N	-2	0	327.318	-0.221	20	0		EBADRL
COCCOCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000547596906	380148758	/nfs/dbraw/zinc/14/87/58/380148758.db2.gz	WTSWWNFLNXFYJZ-ZJUUUORDSA-N	-2	0	339.366	-0.914	20	0		EBADRL
COCCOCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000547596905	380149113	/nfs/dbraw/zinc/14/91/13/380149113.db2.gz	WTSWWNFLNXFYJZ-VHSXEESVSA-N	-2	0	339.366	-0.914	20	0		EBADRL
C[C@@](CNS(=O)(=O)N1CCOC(C)(C)C1)(CC(=O)[O-])C(=O)[O-]	ZINC000548593960	380217689	/nfs/dbraw/zinc/21/76/89/380217689.db2.gz	RTXOJSYWYDVSIE-LBPRGKRZSA-N	-2	0	338.382	-0.503	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000272969114	380542060	/nfs/dbraw/zinc/54/20/60/380542060.db2.gz	QXQVZFQUBIQJNO-VIFPVBQESA-N	-2	0	330.318	-0.618	20	0		EBADRL
CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)ccc1[O-]	ZINC000573249133	380665004	/nfs/dbraw/zinc/66/50/04/380665004.db2.gz	WMKJUJHRLVBGEK-VHSXEESVSA-N	-2	0	344.345	-0.129	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000575023833	380726954	/nfs/dbraw/zinc/72/69/54/380726954.db2.gz	HNTJYFIMWUBUDR-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
CC1(C)CN(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])CCO1	ZINC000578078565	380896903	/nfs/dbraw/zinc/89/69/03/380896903.db2.gz	DTGXOBBSQLGVHP-SECBINFHSA-N	-2	0	338.382	-0.360	20	0		EBADRL
Cc1ncc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)n1C	ZINC000629302676	382105055	/nfs/dbraw/zinc/10/50/55/382105055.db2.gz	FNFNAQBGUXVPIA-GFCCVEGCSA-N	-2	0	331.350	-0.331	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(C)c1	ZINC000274988131	292016497	/nfs/dbraw/zinc/01/64/97/292016497.db2.gz	YTZWXNYERNJDSH-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-]	ZINC000315858547	155175348	/nfs/dbraw/zinc/17/53/48/155175348.db2.gz	MFMDMXIPQZEQSK-UHFFFAOYSA-N	-2	0	327.322	-0.794	20	0		EBADRL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC000262527409	154235377	/nfs/dbraw/zinc/23/53/77/154235377.db2.gz	OXCKEJCSZFREFL-CYBMUJFWSA-N	-2	0	330.362	-0.068	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000262951003	154251157	/nfs/dbraw/zinc/25/11/57/154251157.db2.gz	IUAKQBPUIUMSDD-LLVKDONJSA-N	-2	0	328.346	-0.016	20	0		EBADRL
Cn1cnc(S(=O)(=O)NCC(=O)NC(C)(C)CCC(=O)[O-])c1	ZINC000262934158	154251479	/nfs/dbraw/zinc/25/14/79/154251479.db2.gz	YEGYEUQREZIHRA-UHFFFAOYSA-N	-2	0	332.382	-0.542	20	0		EBADRL
CCn1nccc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275083675	154637299	/nfs/dbraw/zinc/63/72/99/154637299.db2.gz	JCFRROQLBVJPEV-LBPRGKRZSA-N	-2	0	331.350	-0.157	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000287450595	154945073	/nfs/dbraw/zinc/94/50/73/154945073.db2.gz	IATGLVPEOFBYLS-IUCAKERBSA-N	-2	0	331.350	-0.475	20	0		EBADRL
Cc1nc(=NC(=O)C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)[n-]n1C	ZINC000652619384	419241563	/nfs/dbraw/zinc/24/15/63/419241563.db2.gz	JHPREJQBEXAJCW-MRXNPFEDSA-N	-2	0	345.359	-0.357	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)on1	ZINC000611489407	421243757	/nfs/dbraw/zinc/24/37/57/421243757.db2.gz	NTPCTXBEKLKIIX-UHFFFAOYSA-N	-2	0	347.334	-0.064	20	0		EBADRL
O=C([O-])[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)CCS1(=O)=O	ZINC000424242170	265053121	/nfs/dbraw/zinc/05/31/21/265053121.db2.gz	LYALZNBYFGCBFJ-SECBINFHSA-N	-2	0	335.284	-0.006	20	0		EBADRL
O=C([O-])[C@@H]1CN(C(=O)N=c2ccc(C3CC3)n[n-]2)CCS1(=O)=O	ZINC000424380894	265058269	/nfs/dbraw/zinc/05/82/69/265058269.db2.gz	LTLFQZGTSBWHPM-JTQLQIEISA-N	-2	0	340.361	-0.509	20	0		EBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)n1	ZINC000433520823	265192300	/nfs/dbraw/zinc/19/23/00/265192300.db2.gz	JOIMQZQTKFUYRT-UHFFFAOYSA-N	-2	0	340.317	-0.427	20	0		EBADRL
Cc1cc(=NC(=O)COCC(=O)N=c2cc(C)c(C)n[n-]2)[n-]nc1C	ZINC000359502442	301041788	/nfs/dbraw/zinc/04/17/88/301041788.db2.gz	LESHBPCMLXNYHY-UHFFFAOYSA-N	-2	0	344.375	-0.062	20	0		EBADRL
Cn1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000274955476	302919560	/nfs/dbraw/zinc/91/95/60/302919560.db2.gz	IKHOUEGTKSYPKE-RXMQYKEDSA-N	-2	0	325.730	-0.473	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000596031331	545802162	/nfs/dbraw/zinc/80/21/62/545802162.db2.gz	DPLTWDLPXQERIJ-ZCFIWIBFSA-N	-2	0	335.290	-0.419	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2nnn[n-]2)c1	ZINC000681045857	546298060	/nfs/dbraw/zinc/29/80/60/546298060.db2.gz	ZHTDHVNFDHNJKZ-UHFFFAOYSA-N	-2	0	326.338	-0.914	20	0		EBADRL
COCCS(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000684562313	546372915	/nfs/dbraw/zinc/37/29/15/546372915.db2.gz	UBYCMZOFZIWQGQ-LBPRGKRZSA-N	-2	0	345.373	-0.125	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000737714872	582685848	/nfs/dbraw/zinc/68/58/48/582685848.db2.gz	YFDHSKCAAQIJFZ-VHSXEESVSA-N	-2	0	327.314	-0.001	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1-c1nn[nH]n1)C(=O)[O-]	ZINC000738206860	582730734	/nfs/dbraw/zinc/73/07/34/582730734.db2.gz	HQPJOPKLZNJTMU-ZETCQYMHSA-N	-3	0	341.305	-0.927	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000737134869	582992024	/nfs/dbraw/zinc/99/20/24/582992024.db2.gz	FXNFGFHZNQCOQF-YIZRAAEISA-N	-2	0	334.350	-0.904	20	0		EBADRL
CCOCCS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759491004	583213882	/nfs/dbraw/zinc/21/38/82/583213882.db2.gz	QUQISAUBNJILJF-UHFFFAOYSA-N	-2	0	334.316	-0.074	20	0		EBADRL
COC(=O)CC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776549710	583405682	/nfs/dbraw/zinc/40/56/82/583405682.db2.gz	DRVFAYDZYNLUTB-SECBINFHSA-N	-2	0	345.377	-0.096	20	0		EBADRL
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCc1nc(=O)o[n-]1	ZINC000790992680	583548675	/nfs/dbraw/zinc/54/86/75/583548675.db2.gz	GDOSBAKOTLKVMD-UHFFFAOYSA-N	-2	0	347.356	-0.280	20	0		EBADRL
Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000793350437	583565606	/nfs/dbraw/zinc/56/56/06/583565606.db2.gz	NZRZDBDJHIPWDA-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
O=C(Cn1c(=S)[n-]c2ccccc2c1=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820291239	583771004	/nfs/dbraw/zinc/77/10/04/583771004.db2.gz	CPBSKBKHNDWIMP-UHFFFAOYSA-N	-2	0	334.317	-0.542	20	0		EBADRL
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC000823131614	583825476	/nfs/dbraw/zinc/82/54/76/583825476.db2.gz	KFEJTOZVOZJWBH-SNVBAGLBSA-N	-2	0	342.319	-0.730	20	0		EBADRL
C[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H]1CNC(=O)[O-]	ZINC000825914161	583870676	/nfs/dbraw/zinc/87/06/76/583870676.db2.gz	XTNSXDYQJKICRZ-MWLCHTKSSA-N	-2	0	348.363	-0.034	20	0		EBADRL
C[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1CNC(=O)[O-]	ZINC000825914162	583870740	/nfs/dbraw/zinc/87/07/40/583870740.db2.gz	XTNSXDYQJKICRZ-ONGXEEELSA-N	-2	0	348.363	-0.034	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(NC(=O)[O-])CC1	ZINC000827299613	583918382	/nfs/dbraw/zinc/91/83/82/583918382.db2.gz	TWWJWQPJSYEDJC-QMMMGPOBSA-N	-2	0	349.365	-0.825	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)CN(CCOC)C(=O)[O-])cn1	ZINC000827705474	583926370	/nfs/dbraw/zinc/92/63/70/583926370.db2.gz	AONQSLLLRNKVLC-UHFFFAOYSA-N	-2	0	334.354	-0.666	20	0		EBADRL
COC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000828712838	583946113	/nfs/dbraw/zinc/94/61/13/583946113.db2.gz	AIBJBGFLXPYOGG-MRVPVSSYSA-N	-2	0	337.354	-0.679	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828904887	583948313	/nfs/dbraw/zinc/94/83/13/583948313.db2.gz	XXULRMVHUOIVNS-BDAKNGLRSA-N	-2	0	340.423	-0.047	20	0		EBADRL
COc1ccccc1S(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000829644426	583955181	/nfs/dbraw/zinc/95/51/81/583955181.db2.gz	PYNQZOYREMWJJJ-SNVBAGLBSA-N	-2	0	344.345	-0.121	20	0		EBADRL
Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000830612149	583968607	/nfs/dbraw/zinc/96/86/07/583968607.db2.gz	VOFKTIMKDXTIEK-SECBINFHSA-N	-2	0	329.334	-0.426	20	0		EBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)Cc1ccon1	ZINC000831387345	583982348	/nfs/dbraw/zinc/98/23/48/583982348.db2.gz	HUZHWBUUIWGKCF-SECBINFHSA-N	-2	0	333.322	-0.611	20	0		EBADRL
C[C@]1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCOC1	ZINC000833552483	584011783	/nfs/dbraw/zinc/01/17/83/584011783.db2.gz	BGFMVTDZMZVFFT-ZDUSSCGKSA-N	-2	0	334.394	-0.039	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1	ZINC000833700646	584014206	/nfs/dbraw/zinc/01/42/06/584014206.db2.gz	PMLBLUQSKVCTKK-UHFFFAOYSA-N	-2	0	343.361	-0.101	20	0		EBADRL
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C(=O)[O-])c1	ZINC000833751202	584015958	/nfs/dbraw/zinc/01/59/58/584015958.db2.gz	DMGYROIDCDSXAN-UHFFFAOYSA-N	-2	0	330.318	-0.828	20	0		EBADRL
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1(NC(=O)[O-])CC1	ZINC000833870092	584017607	/nfs/dbraw/zinc/01/76/07/584017607.db2.gz	JTBCUDHYIUNPDH-UHFFFAOYSA-N	-2	0	327.337	-0.432	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CN(C(=O)[O-])C2CC2)cc1C(N)=O	ZINC000833950954	584020803	/nfs/dbraw/zinc/02/08/03/584020803.db2.gz	NBNAVLJEHOBLMV-UHFFFAOYSA-N	-2	0	344.349	-0.929	20	0		EBADRL
O=C([O-])Nc1cnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)cn1	ZINC000834276879	584030151	/nfs/dbraw/zinc/03/01/51/584030151.db2.gz	BBYBTSJBOXQRNO-SSDOTTSWSA-N	-2	0	330.322	-0.195	20	0		EBADRL
CCS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849230324	584167113	/nfs/dbraw/zinc/16/71/13/584167113.db2.gz	AYDPWHGVSONZMF-RQJHMYQMSA-N	-2	0	332.300	-0.068	20	0		EBADRL
Cn1ncc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC000852736970	584215370	/nfs/dbraw/zinc/21/53/70/584215370.db2.gz	PTNISHBOILSTHC-RKDXNWHRSA-N	-2	0	335.286	-0.089	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)[O-]	ZINC000013028173	584310866	/nfs/dbraw/zinc/31/08/66/584310866.db2.gz	KNKUYGXDECPKJD-VIFPVBQESA-N	-3	0	331.302	-0.101	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCC2)cc1C(N)=O	ZINC000863952787	584380801	/nfs/dbraw/zinc/38/08/01/584380801.db2.gz	HTQVANDFVJVLSN-UHFFFAOYSA-N	-2	0	343.361	-0.426	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)cc1C(N)=O	ZINC000863952761	584380892	/nfs/dbraw/zinc/38/08/92/584380892.db2.gz	GVTLEFSEGGDCGZ-CYBMUJFWSA-N	-2	0	343.361	-0.570	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cn1	ZINC000863954982	584381117	/nfs/dbraw/zinc/38/11/17/584381117.db2.gz	VXHYINWHEXSJOU-MRVPVSSYSA-N	-2	0	329.334	-0.197	20	0		EBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC000863963445	584381904	/nfs/dbraw/zinc/38/19/04/584381904.db2.gz	WYTTTYFWMGZFFH-UHFFFAOYSA-N	-2	0	339.333	-0.422	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)CC1	ZINC000863965963	584382337	/nfs/dbraw/zinc/38/23/37/584382337.db2.gz	PIZMXTNEBHXKNF-AWEZNQCLSA-N	-2	0	346.405	-0.056	20	0		EBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739169711	599729015	/nfs/dbraw/zinc/72/90/15/599729015.db2.gz	KVRWXYGPSOXVBQ-VHSXEESVSA-N	-2	0	341.345	-0.620	20	0		EBADRL
O=C([O-])Cn1ccc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)n1	ZINC000739919651	599741290	/nfs/dbraw/zinc/74/12/90/599741290.db2.gz	DURLOFUCJBXBHH-UHFFFAOYSA-N	-2	0	330.260	-0.031	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	ZINC000739842654	600178798	/nfs/dbraw/zinc/17/87/98/600178798.db2.gz	NQDDKJSMHBOXPY-SECBINFHSA-N	-2	0	326.330	-0.430	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)cn1	ZINC000324917974	600673063	/nfs/dbraw/zinc/67/30/63/600673063.db2.gz	YXDJINYNGBEKBM-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000740538791	602501255	/nfs/dbraw/zinc/50/12/55/602501255.db2.gz	YXQUMEDVBCHLJM-RYUDHWBXSA-N	-2	0	346.347	-0.022	20	0		EBADRL
CN(C[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1)C(=O)[O-]	ZINC000739639124	602505756	/nfs/dbraw/zinc/50/57/56/602505756.db2.gz	CYMXNNMWFSOAMN-JTQLQIEISA-N	-2	0	348.363	-0.080	20	0		EBADRL
CN(CC1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1)C(=O)[O-]	ZINC000739650207	602513984	/nfs/dbraw/zinc/51/39/84/602513984.db2.gz	MGKNQECNTJSNRN-UHFFFAOYSA-N	-2	0	348.363	-0.080	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])s1	ZINC000739791365	602622022	/nfs/dbraw/zinc/62/20/22/602622022.db2.gz	HISFYJINWRWETJ-UHFFFAOYSA-N	-2	0	336.347	-0.051	20	0		EBADRL
O=C([O-])NCc1nc(C(=O)[N-]S(=O)(=O)N2CCCC2)cs1	ZINC000740683299	602728586	/nfs/dbraw/zinc/72/85/86/602728586.db2.gz	VXBNMYVOJKFBLX-UHFFFAOYSA-N	-2	0	334.379	-0.019	20	0		EBADRL
C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC[C@H]1NC(=O)[O-]	ZINC000739138102	603343865	/nfs/dbraw/zinc/34/38/65/603343865.db2.gz	ROWFKEZLGUTZMI-PSASIEDQSA-N	-2	0	334.336	-0.424	20	0		EBADRL
CC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000916110178	650272619	/nfs/dbraw/zinc/27/26/19/650272619.db2.gz	RANZLTWZGKVKFH-SNVBAGLBSA-N	-2	0	344.345	-0.358	20	0		EBADRL
O=C([O-])CCc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000917058822	650279321	/nfs/dbraw/zinc/27/93/21/650279321.db2.gz	ZNJFSNBPSYWJSV-SNVBAGLBSA-N	-3	0	345.329	-0.090	20	0		EBADRL
COc1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc(C(=O)[O-])c1OC	ZINC000917857654	650284929	/nfs/dbraw/zinc/28/49/29/650284929.db2.gz	TUBSAPYJORSSHN-MRVPVSSYSA-N	-2	0	349.317	-0.874	20	0		EBADRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000917845983	650285232	/nfs/dbraw/zinc/28/52/32/650285232.db2.gz	HYYWNPJRBGMPEE-VIFPVBQESA-N	-2	0	344.345	-0.446	20	0		EBADRL
O=C([O-])c1cc2c(c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1)CCCC2	ZINC000917856974	650285287	/nfs/dbraw/zinc/28/52/87/650285287.db2.gz	BQKCABBMGXSIRK-LLVKDONJSA-N	-2	0	343.357	-0.013	20	0		EBADRL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000917721879	650284398	/nfs/dbraw/zinc/28/43/98/650284398.db2.gz	LDJMIPAJWHXZMR-UHFFFAOYSA-N	-2	0	344.345	-0.574	20	0		EBADRL
C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000921206815	650316535	/nfs/dbraw/zinc/31/65/35/650316535.db2.gz	JXXWPBBNGOMHOL-MRVPVSSYSA-N	-2	0	344.345	-0.358	20	0		EBADRL
Cc1n[nH]c(C(=O)NC[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001023315384	729662605	/nfs/dbraw/zinc/66/26/05/729662605.db2.gz	XODGCZSHHINQCX-SECBINFHSA-N	-2	0	335.368	-0.111	20	0		EBADRL
O=C(NCC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2oc(=O)nc-2[n-]1	ZINC001032125065	730815302	/nfs/dbraw/zinc/81/53/02/730815302.db2.gz	DVYZPLITQWMNPB-UHFFFAOYSA-N	-2	0	345.319	-0.386	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001222968915	811673898	/nfs/dbraw/zinc/67/38/98/811673898.db2.gz	JOUUUHCHYYEILG-ONGXEEELSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001222968912	811674258	/nfs/dbraw/zinc/67/42/58/811674258.db2.gz	JOUUUHCHYYEILG-GXSJLCMTSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1csc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223013703	811677190	/nfs/dbraw/zinc/67/71/90/811677190.db2.gz	RTVNOBSSUOJRJV-MLUIRONXSA-N	-2	0	347.301	-0.491	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(-n2ccnn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001224192870	811749463	/nfs/dbraw/zinc/74/94/63/811749463.db2.gz	SRZDNPMSEAHSEK-WCQYABFASA-N	-2	0	349.299	-0.153	20	0		EBADRL
COC(=O)c1coc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001224254819	811751634	/nfs/dbraw/zinc/75/16/34/811751634.db2.gz	USDQTFXBTYIZOM-CDUCUWFYSA-N	-2	0	331.233	-0.959	20	0		EBADRL
CC(=O)N1CCC(COC(=O)[C@H](O)COP(=O)([O-])[O-])CC1	ZINC001224282484	811753675	/nfs/dbraw/zinc/75/36/75/811753675.db2.gz	BBPHADMTLXJGIF-SNVBAGLBSA-N	-2	0	325.254	-0.742	20	0		EBADRL
CC(C)(C)OC(=O)NCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224337943	811758217	/nfs/dbraw/zinc/75/82/17/811758217.db2.gz	QMJZRTPRYJLKFU-VXNVDRBHSA-N	-2	0	335.309	-0.409	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCCO[C@@H]1CCCCO1)[C@@H](O)C(=O)[O-]	ZINC001224527389	811763517	/nfs/dbraw/zinc/76/35/17/811763517.db2.gz	ZZUJSUGLUDJHIW-MVWJERBFSA-N	-2	0	334.321	-0.001	20	0		EBADRL
CC(=O)N1CCC[C@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])C1	ZINC001225173677	811797205	/nfs/dbraw/zinc/79/72/05/811797205.db2.gz	YSHZAEQYFLJAAF-VHSXEESVSA-N	-2	0	325.254	-0.742	20	0		EBADRL
COC(=O)c1ccncc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225518886	811815755	/nfs/dbraw/zinc/81/57/55/811815755.db2.gz	KILAUVGGSORLLB-XVKPBYJWSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncn(-c2ccccc2)n1)[C@@H](O)C(=O)[O-]	ZINC001226196279	811850814	/nfs/dbraw/zinc/85/08/14/811850814.db2.gz	LTHRHNGFNAEMFR-GXSJLCMTSA-N	-2	0	335.272	-0.291	20	0		EBADRL
COC(=O)c1c[nH]c(=O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226210406	811852262	/nfs/dbraw/zinc/85/22/62/811852262.db2.gz	CRDOWICPEAPXLT-GPXNAGAYSA-N	-2	0	343.244	-0.984	20	0		EBADRL
COC(=O)c1c[nH]c(=O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226210408	811853032	/nfs/dbraw/zinc/85/30/32/811853032.db2.gz	CRDOWICPEAPXLT-RRAGMBSWSA-N	-2	0	343.244	-0.984	20	0		EBADRL
Cn1nc(N)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc21	ZINC001226287729	811857291	/nfs/dbraw/zinc/85/72/91/811857291.db2.gz	JDGFVFBGSRCTNR-GZMMTYOYSA-N	-2	0	337.288	-0.403	20	0		EBADRL
O=C(Oc1[nH]c(=S)nc2c1CCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001226300420	811859272	/nfs/dbraw/zinc/85/92/72/811859272.db2.gz	NJKVTCKUNYGEEX-SSDOTTSWSA-N	-2	0	336.262	-0.370	20	0		EBADRL
CCOC(=O)c1cncnc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226551352	811869676	/nfs/dbraw/zinc/86/96/76/811869676.db2.gz	IRTRVYNNRLZWIP-SSDOTTSWSA-N	-2	0	336.193	-0.971	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2c1CCC2)[C@@H](O)C(=O)[O-]	ZINC001226590662	811872264	/nfs/dbraw/zinc/87/22/64/811872264.db2.gz	AWTSBRUPDFQFKS-JVXZTZIISA-N	-2	0	325.273	-0.282	20	0		EBADRL
O=C(Oc1c(O)ccc2ccc(=O)oc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001226599942	811873831	/nfs/dbraw/zinc/87/38/31/811873831.db2.gz	PTBWIZDOJUTLMS-MRVPVSSYSA-N	-2	0	346.184	-0.126	20	0		EBADRL
COC(=O)Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001226934510	811892733	/nfs/dbraw/zinc/89/27/33/811892733.db2.gz	OLHSSCOWIQXIRW-SNVBAGLBSA-N	-2	0	334.217	-0.222	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2ccc[n+]([O-])c21)[C@H](O)C(=O)[O-]	ZINC001227003130	811896754	/nfs/dbraw/zinc/89/67/54/811896754.db2.gz	FGJLEBFCKUVGQX-RNCFNFMXSA-N	-2	0	335.268	-0.085	20	0		EBADRL
COC(=O)c1c(O)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227152843	811907707	/nfs/dbraw/zinc/90/77/07/811907707.db2.gz	FFFRHGRBSAULFH-KBUNVGBDSA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@@H](O)C(=O)Oc1[nH]c(=O)nc2nc(Br)[n-]c21	ZINC001227594018	811930107	/nfs/dbraw/zinc/93/01/07/811930107.db2.gz	KFHXRYCOJYRYTC-UWTATZPHSA-N	-2	0	347.081	-0.438	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001227736885	811940362	/nfs/dbraw/zinc/94/03/62/811940362.db2.gz	AYSNLTYJDRDBMU-OIBJUYFYSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cccnc21)[C@@H](O)C(=O)[O-]	ZINC001228005486	811956340	/nfs/dbraw/zinc/95/63/40/811956340.db2.gz	SKCUCFXPFFUKEI-MLUIRONXSA-N	-3	0	337.244	-0.828	20	0		EBADRL
CN(C)C(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228343507	811974755	/nfs/dbraw/zinc/97/47/55/811974755.db2.gz	QUKKNZLKKHYWEX-JOYOIKCWSA-N	-2	0	339.300	-0.170	20	0		EBADRL
CN(C)C(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228343493	811975302	/nfs/dbraw/zinc/97/53/02/811975302.db2.gz	QUKKNZLKKHYWEX-BXKDBHETSA-N	-2	0	339.300	-0.170	20	0		EBADRL
CCOC(=O)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229148663	812014429	/nfs/dbraw/zinc/01/44/29/812014429.db2.gz	AVPLWUGHRNCWDQ-WRWORJQWSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1CCNC2=O)[C@@H](O)C(=O)[O-]	ZINC001229521621	812038008	/nfs/dbraw/zinc/03/80/08/812038008.db2.gz	KKDOTGDSSBDTSQ-BXKDBHETSA-N	-2	0	337.284	-0.586	20	0		EBADRL
CC(=O)Nc1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229719173	812050906	/nfs/dbraw/zinc/05/09/06/812050906.db2.gz	AIYCCSGSLDXDCK-PELKAZGASA-N	-2	0	341.272	-0.208	20	0		EBADRL
Cc1ncc2c(c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])COC2	ZINC001229794037	812055791	/nfs/dbraw/zinc/05/57/91/812055791.db2.gz	DVIQWFKNPRNKAA-KCJUWKMLSA-N	-2	0	325.273	-0.138	20	0		EBADRL
COC(=O)c1cccc(O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230288032	812098975	/nfs/dbraw/zinc/09/89/75/812098975.db2.gz	YVIWFXKXFDJIKV-GMSGAONNSA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2c1SCC2)[C@@H](O)C(=O)[O-]	ZINC001230791668	812234796	/nfs/dbraw/zinc/23/47/96/812234796.db2.gz	GMAYYRZOHREEJC-MHTLYPKNSA-N	-2	0	344.301	-0.728	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2c1SCC2)[C@@H](O)C(=O)[O-]	ZINC001230791665	812235620	/nfs/dbraw/zinc/23/56/20/812235620.db2.gz	GMAYYRZOHREEJC-CLZZGJSISA-N	-2	0	344.301	-0.728	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2cc(F)ccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001230882023	812253779	/nfs/dbraw/zinc/25/37/79/812253779.db2.gz	CTCQFXHSIAKRRX-MRVPVSSYSA-N	-3	0	348.179	-0.150	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-c2nn[nH]n2)cc1)[C@H](O)C(=O)[O-]	ZINC001231076932	812271536	/nfs/dbraw/zinc/27/15/36/812271536.db2.gz	OSKQPJGVKJCFSV-SCZZXKLOSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C(Oc1ccc2c(cc[nH]c2=O)c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001233725904	812335469	/nfs/dbraw/zinc/33/54/69/812335469.db2.gz	QHZMQOBHCCKUMB-SNVBAGLBSA-N	-2	0	329.201	-0.096	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-n2cncn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001233920526	812369628	/nfs/dbraw/zinc/36/96/28/812369628.db2.gz	HMKUIVRCUDJNKB-CMPLNLGQSA-N	-2	0	335.272	-0.291	20	0		EBADRL
CS(=O)(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001234544109	812438444	/nfs/dbraw/zinc/43/84/44/812438444.db2.gz	NRRAGRCDLYTUMH-GXSJLCMTSA-N	-2	0	346.313	-0.468	20	0		EBADRL
COCc1ncc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001234881040	812447684	/nfs/dbraw/zinc/44/76/84/812447684.db2.gz	PCBRWLGBYPXYFL-MLUIRONXSA-N	-2	0	332.240	-0.796	20	0		EBADRL
CC(=O)c1c(O)cc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234666826	812447806	/nfs/dbraw/zinc/44/78/06/812447806.db2.gz	CIQYTWHJVMRLRD-CPCISQLKSA-N	-2	0	341.272	-0.260	20	0		EBADRL
CC(=O)c1c(O)cc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234666829	812448060	/nfs/dbraw/zinc/44/80/60/812448060.db2.gz	CIQYTWHJVMRLRD-HQJQHLMTSA-N	-2	0	341.272	-0.260	20	0		EBADRL
O=C([O-])C[C@H](C(=O)N1Cc2ccccc2S1(=O)=O)[C@H](O)C(=O)[O-]	ZINC001250383752	812610074	/nfs/dbraw/zinc/61/00/74/812610074.db2.gz	XHTPATNEAQDSQJ-KWQFWETISA-N	-2	0	343.313	-0.746	20	0		EBADRL
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCCC[P@@](=O)([O-])O	ZINC001182634106	833249836	/nfs/dbraw/zinc/24/98/36/833249836.db2.gz	RFXAANXYENEXTB-VIFPVBQESA-N	-2	0	340.313	-0.054	20	0		EBADRL
O=C([O-])COc1ccc(OCC(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001183910782	833312153	/nfs/dbraw/zinc/31/21/53/833312153.db2.gz	WPIOYRSTOMXEDZ-LBPRGKRZSA-N	-2	0	340.313	-0.046	20	0		EBADRL
NC(=O)[C@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCO1	ZINC001189886886	834206161	/nfs/dbraw/zinc/20/61/61/834206161.db2.gz	IXKHNNWKMXYHCQ-SNVBAGLBSA-N	-2	0	330.233	-0.516	20	0		EBADRL
O=C([O-])CC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCOCC1	ZINC001594973365	950888832	/nfs/dbraw/zinc/88/88/32/950888832.db2.gz	ZZVGWALGNWICFI-SECBINFHSA-N	-2	0	325.325	-0.629	20	0		EBADRL
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001594961913	955020337	/nfs/dbraw/zinc/02/03/37/955020337.db2.gz	OLADYRVUZPNRQZ-ZETCQYMHSA-N	-2	0	341.301	-0.748	20	0		EBADRL
Cc1ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)cc1C(=O)[O-]	ZINC000392160110	972418438	/nfs/dbraw/zinc/41/84/38/972418438.db2.gz	CZPFHGOHOGHQPE-UHFFFAOYSA-N	-2	0	327.318	-0.109	20	0		EBADRL
O=C([O-])C(=O)N1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1	ZINC001605885379	972673519	/nfs/dbraw/zinc/67/35/19/972673519.db2.gz	FXKWALWUIDYOEC-UHFFFAOYSA-N	-2	0	346.299	-0.601	20	0		EBADRL
CC(C)OC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-]	ZINC001591730736	975698034	/nfs/dbraw/zinc/69/80/34/975698034.db2.gz	JCEWQDTTYFZTQX-VIFPVBQESA-N	-2	0	334.350	-0.120	20	0		EBADRL
CC(C)OC[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-]	ZINC001591730850	975701028	/nfs/dbraw/zinc/70/10/28/975701028.db2.gz	LQSNEWDJIWZYBW-LURJTMIESA-N	-2	0	338.363	-0.002	20	0		EBADRL
CC(C)[C@H](NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)C(=O)[O-]	ZINC001591866308	976168999	/nfs/dbraw/zinc/16/89/99/976168999.db2.gz	HBJDYIRTKMYADM-KOLCDFICSA-N	-2	0	325.369	-0.085	20	0		EBADRL
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC001591893185	976263426	/nfs/dbraw/zinc/26/34/26/976263426.db2.gz	PILXKCYLQYZOMW-NSHDSACASA-N	-2	0	328.346	-0.040	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001592359884	977844399	/nfs/dbraw/zinc/84/43/99/977844399.db2.gz	MXLFXLJJKZGLBU-SSDOTTSWSA-N	-2	0	326.334	-0.116	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)Cc1ccccc1)C(=O)[O-]	ZINC001592801157	979463941	/nfs/dbraw/zinc/46/39/41/979463941.db2.gz	YIYLQELYLIXLLA-ADEWGFFLSA-N	-2	0	345.373	-0.317	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O	ZINC001589450678	986840476	/nfs/dbraw/zinc/84/04/76/986840476.db2.gz	DZOHWKLMFDGMAE-YUMQZZPRSA-N	-2	0	334.350	-0.919	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O	ZINC001589454356	986878006	/nfs/dbraw/zinc/87/80/06/986878006.db2.gz	VGDJLAGPAVHXIR-YIZRAAEISA-N	-2	0	341.407	-0.491	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1noc2c1COCC2	ZINC001589455045	986890380	/nfs/dbraw/zinc/89/03/80/986890380.db2.gz	UVSMDHXEVPDOMP-BQBZGAKWSA-N	-2	0	332.334	-0.084	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC001589491828	987060939	/nfs/dbraw/zinc/06/09/39/987060939.db2.gz	NNIDHBSYIYXGHX-ZCFIWIBFSA-N	-2	0	340.313	-0.555	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1	ZINC001589494408	987071659	/nfs/dbraw/zinc/07/16/59/987071659.db2.gz	JQBURYFMGZKPRW-ZETCQYMHSA-N	-2	0	334.375	-0.213	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cn1	ZINC001589659791	987632805	/nfs/dbraw/zinc/63/28/05/987632805.db2.gz	DASUORGQXDBMKG-VIFPVBQESA-N	-2	0	340.336	-0.274	20	0		EBADRL
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1	ZINC001590286556	989700322	/nfs/dbraw/zinc/70/03/22/989700322.db2.gz	NHJWMMGNIDRUCA-OCAPTIKFSA-N	-2	0	336.366	-0.180	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCC(=O)NCCC(=O)[O-]	ZINC001590839627	990699432	/nfs/dbraw/zinc/69/94/32/990699432.db2.gz	BPDFJZLAVRJREL-UHFFFAOYSA-N	-2	0	341.286	-0.459	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1	ZINC001598471482	992032831	/nfs/dbraw/zinc/03/28/31/992032831.db2.gz	PLOAEYKBHXDSMK-SNVBAGLBSA-N	-2	0	338.382	-0.503	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001599781105	992365025	/nfs/dbraw/zinc/36/50/25/992365025.db2.gz	LZRBQUMHAOHASV-VIFPVBQESA-N	-2	0	328.412	-0.182	20	0		EBADRL
CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC001591605427	992848505	/nfs/dbraw/zinc/84/85/05/992848505.db2.gz	MZXQKWDRAOPVNJ-ZCFIWIBFSA-N	-2	0	331.306	-0.813	20	0		EBADRL
CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1=O	ZINC001591605426	992849140	/nfs/dbraw/zinc/84/91/40/992849140.db2.gz	MZXQKWDRAOPVNJ-LURJTMIESA-N	-2	0	331.306	-0.813	20	0		EBADRL
CN1CC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])cnc21	ZINC001598559567	993077014	/nfs/dbraw/zinc/07/70/14/993077014.db2.gz	AFZQKZJLNXWZAT-UHFFFAOYSA-N	-2	0	342.333	-0.996	20	0		EBADRL
CN1C[C@H](C(=O)[O-])N(C(=O)CSc2n[n-]c(=S)s2)CC1=O	ZINC001598565033	993132804	/nfs/dbraw/zinc/13/28/04/993132804.db2.gz	PCYMQUAERXOOKV-RXMQYKEDSA-N	-2	0	348.431	-0.327	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1C(=O)[O-]	ZINC001599617246	994032303	/nfs/dbraw/zinc/03/23/03/994032303.db2.gz	PDTLCKZJGPIMAT-VIFPVBQESA-N	-2	0	333.318	-0.493	20	0		EBADRL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)NCC(F)(F)F	ZINC001593330654	994897672	/nfs/dbraw/zinc/89/76/72/994897672.db2.gz	NJVASUOGUSCRRW-SCSAIBSYSA-N	-2	0	345.255	-0.282	20	0		EBADRL
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(CC(=O)[O-])c1	ZINC001598693452	995099842	/nfs/dbraw/zinc/09/98/42/995099842.db2.gz	DOCRKYKYNLBHBO-SNVBAGLBSA-N	-2	0	345.329	-0.392	20	0		EBADRL
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001599382267	996875671	/nfs/dbraw/zinc/87/56/71/996875671.db2.gz	WTPFIRYTEBHYSI-ZDUSSCGKSA-N	-2	0	345.329	-0.085	20	0		EBADRL
COC[C@@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])C(=O)[O-]	ZINC001599178100	996891500	/nfs/dbraw/zinc/89/15/00/996891500.db2.gz	JHRJTKKRTUZMMS-SNVBAGLBSA-N	-2	0	347.345	-0.300	20	0		EBADRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)NCC[C@H](O)C(=O)[O-]	ZINC001599385752	996942175	/nfs/dbraw/zinc/94/21/75/996942175.db2.gz	VOYHDQHUXHIJGX-YFKPBYRVSA-N	-2	0	339.347	-0.431	20	0		EBADRL
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001599193629	997173731	/nfs/dbraw/zinc/17/37/31/997173731.db2.gz	ALUYBCLRDULBQY-CYBMUJFWSA-N	-2	0	344.345	-0.108	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1cnn(C)c1	ZINC001599028285	999032019	/nfs/dbraw/zinc/03/20/19/999032019.db2.gz	KVANGJKRUPMXCS-NRPADANISA-N	-2	0	333.366	-0.337	20	0		EBADRL
CO[C@H](CS(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1)[C@@H]1CCOC1	ZINC001599060936	999264873	/nfs/dbraw/zinc/26/48/73/999264873.db2.gz	YGTWDIGEKRALBB-PSASIEDQSA-N	-2	0	331.350	-0.032	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001594453725	999655743	/nfs/dbraw/zinc/65/57/43/999655743.db2.gz	IPDIRHSXDYBSGC-UKKRHICBSA-N	-2	0	326.349	-0.123	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])CCCC1	ZINC000290461155	290889826	/nfs/dbraw/zinc/88/98/26/290889826.db2.gz	DMGKTEZANFKRDA-UHFFFAOYSA-N	-2	0	337.350	-0.479	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CCCC1	ZINC000290504483	290893708	/nfs/dbraw/zinc/89/37/08/290893708.db2.gz	HXUNADMSMXVWEK-QMMMGPOBSA-N	-2	0	337.350	-0.433	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000275033712	304073600	/nfs/dbraw/zinc/07/36/00/304073600.db2.gz	UKJSQHUGTOEGQM-QMMMGPOBSA-N	-2	0	345.329	-0.088	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000364388952	304082206	/nfs/dbraw/zinc/08/22/06/304082206.db2.gz	MENRIXDGNQUDEW-JTQLQIEISA-N	-2	0	348.377	-0.765	20	0		EBADRL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F	ZINC000556792227	376141878	/nfs/dbraw/zinc/14/18/78/376141878.db2.gz	MJSMYXVUYQATMA-UHFFFAOYSA-N	-2	0	344.242	-0.278	20	0		EBADRL
CCn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000387714589	377479683	/nfs/dbraw/zinc/47/96/83/377479683.db2.gz	RTKOCEGINKJGIL-DTWKUNHWSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000166493923	379331515	/nfs/dbraw/zinc/33/15/15/379331515.db2.gz	FWDNEXAWPRHRDC-RXMQYKEDSA-N	-2	0	337.331	-0.259	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000274911083	379723295	/nfs/dbraw/zinc/72/32/95/379723295.db2.gz	KSTSDHWMANHRNT-JTQLQIEISA-N	-2	0	342.329	-0.821	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275058645	379733490	/nfs/dbraw/zinc/73/34/90/379733490.db2.gz	YKHQUOBECQRPEE-VIFPVBQESA-N	-2	0	345.329	-0.073	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275134975	379737698	/nfs/dbraw/zinc/73/76/98/379737698.db2.gz	JGHXUKLQQYSALA-ZCFIWIBFSA-N	-2	0	327.265	-0.646	20	0		EBADRL
CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000547910284	380171305	/nfs/dbraw/zinc/17/13/05/380171305.db2.gz	BPWADTTYOKUPPP-MRVPVSSYSA-N	-2	0	342.333	-0.080	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])o1	ZINC000547940340	380173323	/nfs/dbraw/zinc/17/33/23/380173323.db2.gz	YACUDTASRJLIKP-LBPRGKRZSA-N	-2	0	349.317	-0.090	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548218782	380192536	/nfs/dbraw/zinc/19/25/36/380192536.db2.gz	DKACILMPNNSNCT-QMMMGPOBSA-N	-2	0	330.318	-0.761	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000547613905	380150410	/nfs/dbraw/zinc/15/04/10/380150410.db2.gz	CEDOQBLVSZBPQN-GFCCVEGCSA-N	-2	0	349.317	-0.090	20	0		EBADRL
Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000285256336	380234698	/nfs/dbraw/zinc/23/46/98/380234698.db2.gz	UZGZBMNIUNUQKH-BDAKNGLRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
COC(=O)c1ccc(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274903559	380565988	/nfs/dbraw/zinc/56/59/88/380565988.db2.gz	IROLDFRGQHQZHO-SNVBAGLBSA-N	-2	0	345.329	-0.180	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000275057480	380567861	/nfs/dbraw/zinc/56/78/61/380567861.db2.gz	YGNQAUMXWQIYBR-UHFFFAOYSA-N	-2	0	330.318	-0.794	20	0		EBADRL
COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274917671	292001765	/nfs/dbraw/zinc/00/17/65/292001765.db2.gz	MEUBTQSVSMCHQK-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274913778	292010551	/nfs/dbraw/zinc/01/05/51/292010551.db2.gz	LGBPHMAAJVKBDG-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
CCOC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000290481313	286169091	/nfs/dbraw/zinc/16/90/91/286169091.db2.gz	GBFACCULNGIRQM-LURJTMIESA-N	-2	0	338.363	-0.302	20	0		EBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1	ZINC000357104570	157118915	/nfs/dbraw/zinc/11/89/15/157118915.db2.gz	LZTXZOBCTXVKTN-UHFFFAOYSA-N	-2	0	338.345	-0.204	20	0		EBADRL
Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)nn1	ZINC000359557366	157331099	/nfs/dbraw/zinc/33/10/99/157331099.db2.gz	BWEWQOUEIJEPCW-UHFFFAOYSA-N	-2	0	339.333	-0.570	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000274979194	295198746	/nfs/dbraw/zinc/19/87/46/295198746.db2.gz	XMDLYMYIKJCNBE-QMMMGPOBSA-N	-2	0	346.317	-1.000	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C[C@H]1C(=O)[O-]	ZINC000681590727	546307677	/nfs/dbraw/zinc/30/76/77/546307677.db2.gz	OXPSMXQOMHZPMX-GMTAPVOTSA-N	-2	0	335.378	-0.007	20	0		EBADRL
C[C@H](NC(=O)C1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736632086	582947240	/nfs/dbraw/zinc/94/72/40/582947240.db2.gz	SAYPTIURXLDGMO-VIFPVBQESA-N	-2	0	334.394	-0.008	20	0		EBADRL
COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000737578632	583016898	/nfs/dbraw/zinc/01/68/98/583016898.db2.gz	PFCXTAVMJUSWFU-UWVGGRQHSA-N	-2	0	327.314	-0.001	20	0		EBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000738177999	583044374	/nfs/dbraw/zinc/04/43/74/583044374.db2.gz	VQJCWEAMTOFFEK-NXEZZACHSA-N	-2	0	347.370	-0.384	20	0		EBADRL
Cc1cc(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000753771394	583162940	/nfs/dbraw/zinc/16/29/40/583162940.db2.gz	VPNHKESPOHQWJV-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776437609	583404188	/nfs/dbraw/zinc/40/41/88/583404188.db2.gz	XYMQGFYMXKJDQE-SNVBAGLBSA-N	-2	0	343.313	-0.047	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000776441153	583404435	/nfs/dbraw/zinc/40/44/35/583404435.db2.gz	FUTUQLMYHVRGFS-VIFPVBQESA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000797301765	583599924	/nfs/dbraw/zinc/59/99/24/583599924.db2.gz	XHLBVRGUILGPOI-RXMQYKEDSA-N	-2	0	348.299	-0.549	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820894248	583782665	/nfs/dbraw/zinc/78/26/65/583782665.db2.gz	JSHBJXPEKSRNJP-UHFFFAOYSA-N	-2	0	330.318	-0.584	20	0		EBADRL
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000821388950	583790501	/nfs/dbraw/zinc/79/05/01/583790501.db2.gz	CCFKHJCDECTCFM-MRVPVSSYSA-N	-2	0	340.365	-0.399	20	0		EBADRL
CC(C)(C)C(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000823755125	583836839	/nfs/dbraw/zinc/83/68/39/583836839.db2.gz	WVFCMXDLSORCDZ-VIFPVBQESA-N	-2	0	349.409	-0.263	20	0		EBADRL
CC(C)N(C)S(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000824329893	583843851	/nfs/dbraw/zinc/84/38/51/583843851.db2.gz	NCXPDFDATMDLKU-JTQLQIEISA-N	-2	0	337.398	-0.153	20	0		EBADRL
C[C@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000824867498	583851602	/nfs/dbraw/zinc/85/16/02/583851602.db2.gz	CPJWMUUBDHEGOR-ZCFIWIBFSA-N	-2	0	349.390	-0.102	20	0		EBADRL
C[C@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000825220136	583856550	/nfs/dbraw/zinc/85/65/50/583856550.db2.gz	RKENDILWCHOVDY-UWVGGRQHSA-N	-2	0	348.363	-0.034	20	0		EBADRL
CCOCCS(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000827405023	583920886	/nfs/dbraw/zinc/92/08/86/583920886.db2.gz	KMHPBKRKOJPCLU-SNVBAGLBSA-N	-2	0	338.382	-0.372	20	0		EBADRL
CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000828459726	583939680	/nfs/dbraw/zinc/93/96/80/583939680.db2.gz	MMHLUYCBAZDUPA-DTWKUNHWSA-N	-2	0	333.366	-0.947	20	0		EBADRL
CN1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000828459727	583939689	/nfs/dbraw/zinc/93/96/89/583939689.db2.gz	MMHLUYCBAZDUPA-IUCAKERBSA-N	-2	0	333.366	-0.947	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])n[n-]1	ZINC000829701231	583957504	/nfs/dbraw/zinc/95/75/04/583957504.db2.gz	YSDJFRAFFKFXHQ-SSDOTTSWSA-N	-2	0	347.353	-0.694	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-]	ZINC000829833079	583958915	/nfs/dbraw/zinc/95/89/15/583958915.db2.gz	WHNXFYNFSRFFAE-RKDXNWHRSA-N	-2	0	336.366	-0.514	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000830914193	583972255	/nfs/dbraw/zinc/97/22/55/583972255.db2.gz	NRRNEJFEAKNCOL-QMMMGPOBSA-N	-2	0	333.322	-0.525	20	0		EBADRL
Cn1cc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)ccc1=O	ZINC000830990095	583973637	/nfs/dbraw/zinc/97/36/37/583973637.db2.gz	ZVNBFXHNGCGWNE-VIFPVBQESA-N	-2	0	329.334	-0.803	20	0		EBADRL
NC(=O)c1csc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831239923	583979891	/nfs/dbraw/zinc/97/98/91/583979891.db2.gz	JZLYXWCHJHYXNY-SSDOTTSWSA-N	-2	0	347.374	-0.341	20	0		EBADRL
O=C(CO[C@@H]1CCCN(C(=O)[O-])C1)NCCCc1n[nH]c(=O)[n-]1	ZINC000831512443	583984074	/nfs/dbraw/zinc/98/40/74/583984074.db2.gz	ANLKDZBNJAPURX-SECBINFHSA-N	-2	0	327.341	-0.282	20	0		EBADRL
O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831545625	583984515	/nfs/dbraw/zinc/98/45/15/583984515.db2.gz	RIDOVMCNMKHYKJ-NXEZZACHSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1	ZINC000831574172	583986243	/nfs/dbraw/zinc/98/62/43/583986243.db2.gz	RPWYIOOQZLGRJU-MNOVXSKESA-N	-2	0	332.320	-0.216	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1	ZINC000831747930	583991254	/nfs/dbraw/zinc/99/12/54/583991254.db2.gz	OXMYCYKDARZVKE-NXEZZACHSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])NCc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)o1	ZINC000832702223	584000896	/nfs/dbraw/zinc/00/08/96/584000896.db2.gz	LVRJZZZLIWEKKH-UHFFFAOYSA-N	-2	0	333.322	-0.646	20	0		EBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1	ZINC000833276637	584008432	/nfs/dbraw/zinc/00/84/32/584008432.db2.gz	MTLXIZCDBLNQDW-UHFFFAOYSA-N	-2	0	340.317	-0.065	20	0		EBADRL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1	ZINC000834291428	584030880	/nfs/dbraw/zinc/03/08/80/584030880.db2.gz	YUWMUESCUWBDIL-VHSXEESVSA-N	-2	0	336.348	-0.471	20	0		EBADRL
CCNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233064	584167185	/nfs/dbraw/zinc/16/71/85/584167185.db2.gz	WGDHZMZPUDWRIN-RNFRBKRXSA-N	-2	0	347.315	-0.563	20	0		EBADRL
Cn1ncc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC000852736968	584215128	/nfs/dbraw/zinc/21/51/28/584215128.db2.gz	PTNISHBOILSTHC-IUCAKERBSA-N	-2	0	335.286	-0.089	20	0		EBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cncn1	ZINC000852956047	584222070	/nfs/dbraw/zinc/22/20/70/584222070.db2.gz	FOPVYQQCHCQACM-IONNQARKSA-N	-2	0	349.269	-0.599	20	0		EBADRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000013029068	584310826	/nfs/dbraw/zinc/31/08/26/584310826.db2.gz	MRVYCGOFHNPVEV-UHFFFAOYSA-N	-2	0	330.318	-0.828	20	0		EBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)s1	ZINC000863956783	584381147	/nfs/dbraw/zinc/38/11/47/584381147.db2.gz	GZFAUALQEDTEOI-ZCFIWIBFSA-N	-2	0	348.362	-0.588	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863958491	584381295	/nfs/dbraw/zinc/38/12/95/584381295.db2.gz	ADKYFBDKUDUPLY-MRVPVSSYSA-N	-2	0	337.350	-0.735	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863959120	584381457	/nfs/dbraw/zinc/38/14/57/584381457.db2.gz	UHLMVQJPFZOKGA-MRVPVSSYSA-N	-2	0	345.329	-0.229	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863961825	584381704	/nfs/dbraw/zinc/38/17/04/584381704.db2.gz	UWZBIFGWASALDE-UHFFFAOYSA-N	-2	0	347.349	-0.358	20	0		EBADRL
CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863964298	584381874	/nfs/dbraw/zinc/38/18/74/584381874.db2.gz	QSTKGAPVUXDHLP-UHFFFAOYSA-N	-2	0	332.334	-0.225	20	0		EBADRL
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C[C@@H](COC)OC	ZINC000863964136	584381930	/nfs/dbraw/zinc/38/19/30/584381930.db2.gz	FFJISHMGVLEXTB-SECBINFHSA-N	-2	0	325.383	-0.015	20	0		EBADRL
O=C([N-]OC[C@H]1CCOC1)C(F)(F)C(=O)[N-]OC[C@H]1CCOC1	ZINC000865980763	584397531	/nfs/dbraw/zinc/39/75/31/584397531.db2.gz	YHLZJTOEJHIBJO-UWVGGRQHSA-N	-2	0	338.307	-0.210	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])s1	ZINC000740337697	597106868	/nfs/dbraw/zinc/10/68/68/597106868.db2.gz	SYCUDQVIJCQMFI-UHFFFAOYSA-N	-2	0	338.388	-0.530	20	0		EBADRL
Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1n[nH]c(CC(=O)[O-])n1	ZINC000738872603	600180966	/nfs/dbraw/zinc/18/09/66/600180966.db2.gz	IQOAOADIOJLYLN-UHFFFAOYSA-N	-2	0	345.319	-0.022	20	0		EBADRL
Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2n1	ZINC000738793557	600463277	/nfs/dbraw/zinc/46/32/77/600463277.db2.gz	YVGHPKAKSXFSPI-UHFFFAOYSA-N	-2	0	326.334	-0.038	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cn1	ZINC000392122872	600672282	/nfs/dbraw/zinc/67/22/82/600672282.db2.gz	DVGGVDODMGBPPV-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)C2CCC(NC(=O)[O-])CC2)n[n-]1	ZINC000740005565	602064377	/nfs/dbraw/zinc/06/43/77/602064377.db2.gz	NPQZKPGBUJGKDF-UHFFFAOYSA-N	-2	0	331.354	-0.027	20	0		EBADRL
C[C@](CNC(=O)[O-])(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC000738927065	602502851	/nfs/dbraw/zinc/50/28/51/602502851.db2.gz	SYLBHYJBKFQEMK-CQSZACIVSA-N	-2	0	334.336	-0.376	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-]	ZINC000739600770	602622123	/nfs/dbraw/zinc/62/21/23/602622123.db2.gz	ALEZWWYUSTWMJC-UHFFFAOYSA-N	-2	0	344.349	-0.802	20	0		EBADRL
O=C(CNC(=O)C1CC1)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000043832433	649943572	/nfs/dbraw/zinc/94/35/72/649943572.db2.gz	IVVKMSLZHNSZIW-UHFFFAOYSA-N	-2	0	343.343	-0.135	20	0		EBADRL
O=C(COC1CCOCC1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831530492	605280794	/nfs/dbraw/zinc/28/07/94/605280794.db2.gz	ZHGMPXGERNMTAP-JTQLQIEISA-N	-2	0	336.366	-0.620	20	0		EBADRL
COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000650417748	650029424	/nfs/dbraw/zinc/02/94/24/650029424.db2.gz	YKSUATIDTRKHEY-UWVGGRQHSA-N	-2	0	344.345	-0.114	20	0		EBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1	ZINC000912532438	650206771	/nfs/dbraw/zinc/20/67/71/650206771.db2.gz	XHCNSPZLJLDFLT-UHFFFAOYSA-N	-2	0	343.321	-0.263	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)[O-]	ZINC000916110126	650272963	/nfs/dbraw/zinc/27/29/63/650272963.db2.gz	KNKUYGXDECPKJD-SECBINFHSA-N	-3	0	331.302	-0.101	20	0		EBADRL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1n[n-]c2ccccc2c1=O	ZINC001031035332	730666786	/nfs/dbraw/zinc/66/67/86/730666786.db2.gz	OYSIRQBASAJINK-UHFFFAOYSA-N	-2	0	341.331	-0.227	20	0		EBADRL
COC(=O)c1ncccc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001222747153	811658370	/nfs/dbraw/zinc/65/83/70/811658370.db2.gz	LNUHXEACBBIKOC-MRVPVSSYSA-N	-2	0	335.205	-0.618	20	0		EBADRL
COC(=O)c1ccoc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223069079	811681205	/nfs/dbraw/zinc/68/12/05/811681205.db2.gz	ZYIMCGRVUWBNLJ-XVKPBYJWSA-N	-2	0	330.245	-0.354	20	0		EBADRL
Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2c1NC(=O)C2	ZINC001225412484	811809018	/nfs/dbraw/zinc/80/90/18/811809018.db2.gz	YLHUGAPQPXEJMB-SECBINFHSA-N	-2	0	331.217	-0.135	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccnc(C(F)(F)F)n1)[C@@H](O)C(=O)[O-]	ZINC001225833213	811831881	/nfs/dbraw/zinc/83/18/81/811831881.db2.gz	ARBDYYWRUSOFLN-MHTLYPKNSA-N	-2	0	338.194	-0.063	20	0		EBADRL
COCc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])[nH]c(=S)n1	ZINC001225937463	811837337	/nfs/dbraw/zinc/83/73/37/811837337.db2.gz	HAYCXBPMFLTAAV-ZCFIWIBFSA-N	-2	0	340.250	-0.713	20	0		EBADRL
COC(=O)c1sccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226266700	811856125	/nfs/dbraw/zinc/85/61/25/811856125.db2.gz	BMJPGZJHAVXEPE-SVGQVSJJSA-N	-2	0	332.286	-0.024	20	0		EBADRL
CC(=O)Nc1cccnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226311878	811859048	/nfs/dbraw/zinc/85/90/48/811859048.db2.gz	BRFTURCYBMNSHJ-OIBJUYFYSA-N	-2	0	326.261	-0.518	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001226699217	811879899	/nfs/dbraw/zinc/87/98/99/811879899.db2.gz	OXBXMKAJAFQPLV-LDYMZIIASA-N	-2	0	341.272	-0.300	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001227015493	811896618	/nfs/dbraw/zinc/89/66/18/811896618.db2.gz	OOLWBRUGMKDMTH-HQJQHLMTSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COC(=O)c1c(O)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227155324	811907609	/nfs/dbraw/zinc/90/76/09/811907609.db2.gz	YLRIXKVWOIDMBG-SSDOTTSWSA-N	-2	0	336.189	-0.446	20	0		EBADRL
CC(C)N1C(=S)N=NC1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227226421	811912510	/nfs/dbraw/zinc/91/25/10/811912510.db2.gz	PWXSISFVBFOFSO-IYSWYEEDSA-N	-2	0	333.322	-0.411	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cc[nH]c21)[C@H](O)C(=O)[O-]	ZINC001227808137	811942909	/nfs/dbraw/zinc/94/29/09/811942909.db2.gz	FBOSSTMJQUCGGC-VHWMUFPASA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2sccc21)[C@@H](O)C(=O)[O-]	ZINC001227844760	811945465	/nfs/dbraw/zinc/94/54/65/811945465.db2.gz	CMYBTVNOOCFZSA-CAHLUQPWSA-N	-3	0	342.285	-0.161	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2sccc21)[C@H](O)C(=O)[O-]	ZINC001227844785	811945633	/nfs/dbraw/zinc/94/56/33/811945633.db2.gz	CMYBTVNOOCFZSA-VDTYLAMSSA-N	-3	0	342.285	-0.161	20	0		EBADRL
CSc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)[nH]1	ZINC001228095755	811961544	/nfs/dbraw/zinc/96/15/44/811961544.db2.gz	XLJUVHJORMSEJI-VHWMUFPASA-N	-2	0	332.290	-0.654	20	0		EBADRL
COC(=O)Cc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228268724	811972116	/nfs/dbraw/zinc/97/21/16/811972116.db2.gz	LFDVPUABBPHFNS-RNCFNFMXSA-N	-2	0	340.284	-0.156	20	0		EBADRL
CCOc1ncc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228365098	811976225	/nfs/dbraw/zinc/97/62/25/811976225.db2.gz	GRAIRJXUZNJMTM-YLWLKBPMSA-N	-2	0	332.240	-0.544	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2[nH]ccc21)[C@@H](O)C(=O)[O-]	ZINC001228529249	811985927	/nfs/dbraw/zinc/98/59/27/811985927.db2.gz	SGAAEMDKDBTITN-IYSWYEEDSA-N	-2	0	341.301	-0.312	20	0		EBADRL
CCOC(=O)c1cncc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001228559995	811987461	/nfs/dbraw/zinc/98/74/61/811987461.db2.gz	IQSASLMBVOQXSY-MWLCHTKSSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc2c(cc1O)CCC2=O)[C@H](O)C(=O)[O-]	ZINC001228855766	812001004	/nfs/dbraw/zinc/00/10/04/812001004.db2.gz	QGNJPQBFWAYABC-SDBXPKJASA-N	-2	0	338.268	-0.037	20	0		EBADRL
CSc1nc(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228913614	812006653	/nfs/dbraw/zinc/00/66/53/812006653.db2.gz	UKGLCECHSMWKGU-HZGVNTEJSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CCOC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cnc1C	ZINC001229029045	812009574	/nfs/dbraw/zinc/00/95/74/812009574.db2.gz	KNKYATYZWCXEPM-SNVBAGLBSA-N	-2	0	349.232	-0.058	20	0		EBADRL
CCOC(=O)c1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229148661	812013878	/nfs/dbraw/zinc/01/38/78/812013878.db2.gz	AVPLWUGHRNCWDQ-HQJQHLMTSA-N	-2	0	341.272	-0.300	20	0		EBADRL
Nc1nc2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2s1	ZINC001229995784	812067315	/nfs/dbraw/zinc/06/73/15/812067315.db2.gz	YPHUZMIPYKIIQM-RXMQYKEDSA-N	-2	0	335.234	-0.351	20	0		EBADRL
Nc1nc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2s1	ZINC001229994471	812067660	/nfs/dbraw/zinc/06/76/60/812067660.db2.gz	YMCYUMVMZIYDAV-NVNXEXLPSA-N	-2	0	341.301	-0.285	20	0		EBADRL
COC(=O)c1c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccn1C	ZINC001233787268	812345446	/nfs/dbraw/zinc/34/54/46/812345446.db2.gz	GQVKBRPOFQIRKJ-QUBYGPBYSA-N	-2	0	329.261	-0.747	20	0		EBADRL
CCOC(=O)c1cccnc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001234619198	812444409	/nfs/dbraw/zinc/44/44/09/812444409.db2.gz	QBBVOGQSJZRHKV-MRVPVSSYSA-N	-2	0	335.205	-0.366	20	0		EBADRL
C[C@H]1[C@H](NC(=O)C2(C(=O)[O-])CCCCC2)C(=O)N1S(=O)(=O)[O-]	ZINC001180438137	833082484	/nfs/dbraw/zinc/08/24/84/833082484.db2.gz	CUMQKFJXSNLONV-YUMQZZPRSA-N	-2	0	334.350	-0.460	20	0		EBADRL
CC(=O)N[C@H](C(=O)NCCOP(=O)([O-])[O-])[C@@H](C)OC(C)(C)C	ZINC001183960527	833314699	/nfs/dbraw/zinc/31/46/99/833314699.db2.gz	ZOKNRGMYMLFXCK-SCZZXKLOSA-N	-2	0	340.313	-0.080	20	0		EBADRL
CN1C(=O)C[C@H](C(=O)NCCOP(=O)([O-])[O-])[C@H]1c1cccnc1	ZINC001177649488	832798201	/nfs/dbraw/zinc/79/82/01/832798201.db2.gz	XYQJHIHNWQOLPS-CMPLNLGQSA-N	-2	0	343.276	-0.174	20	0		EBADRL
COC(=O)CNC(=O)CNC(=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189898681	834207452	/nfs/dbraw/zinc/20/74/52/834207452.db2.gz	FJUXQHZWYFEBEK-UHFFFAOYSA-N	-2	0	346.232	-0.823	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCc2nnn[n-]2)cc(S(=O)(=O)[O-])c1	ZINC001189933079	834211166	/nfs/dbraw/zinc/21/11/66/834211166.db2.gz	ICFLIFDUMZIJDW-UHFFFAOYSA-N	-3	0	327.278	-0.925	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC[C@H]2CNC(=O)O2)cc(S(=O)(=O)[O-])c1	ZINC001189941207	834211464	/nfs/dbraw/zinc/21/14/64/834211464.db2.gz	DPKFWKMPKOWNJM-QMMMGPOBSA-N	-2	0	344.301	-0.530	20	0		EBADRL
NS(=O)(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)c([O-])cc1Cl	ZINC001191045904	834403852	/nfs/dbraw/zinc/40/38/52/834403852.db2.gz	LGKFQOTWGRTNFQ-UHFFFAOYSA-N	-2	0	347.740	-0.553	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccccc1C(=O)[O-]	ZINC001210966491	837356703	/nfs/dbraw/zinc/35/67/03/837356703.db2.gz	NGZRGQYYALHYKU-UHFFFAOYSA-N	-2	0	341.305	-0.604	20	0		EBADRL
C[C@H](O)[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1	ZINC001570946322	949530714	/nfs/dbraw/zinc/53/07/14/949530714.db2.gz	LMWZKJYWXLAOPY-GZMMTYOYSA-N	-2	0	346.351	-0.803	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)on1	ZINC001595214153	952364715	/nfs/dbraw/zinc/36/47/15/952364715.db2.gz	AIYCOIRHRWZSLG-LURJTMIESA-N	-2	0	343.317	-0.811	20	0		EBADRL
COC(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593829255	955134555	/nfs/dbraw/zinc/13/45/55/955134555.db2.gz	FPZVLDYLDDGNNE-MUWHJKNJSA-N	-2	0	340.254	-0.328	20	0		EBADRL
Cn1nc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1Cl	ZINC001594563515	955815425	/nfs/dbraw/zinc/81/54/25/955815425.db2.gz	SYTFYSPZYQENBV-UHFFFAOYSA-N	-2	0	334.697	-0.122	20	0		EBADRL
Cn1nnnc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594602326	956146121	/nfs/dbraw/zinc/14/61/21/956146121.db2.gz	VIJCEIKONPKIEX-POYBYMJQSA-N	-2	0	336.274	-0.694	20	0		EBADRL
Cc1cc(=NC(=O)COCC(=O)[O-])nc2nc(C(F)(F)F)[n-]n21	ZINC001594316749	958071556	/nfs/dbraw/zinc/07/15/56/958071556.db2.gz	LBOHLNMWDHBLTL-UHFFFAOYSA-N	-2	0	333.226	-0.087	20	0		EBADRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCc1nc(=O)o[n-]1	ZINC000392157694	972417619	/nfs/dbraw/zinc/41/76/19/972417619.db2.gz	AOBMHYNYBHNZGY-UHFFFAOYSA-N	-2	0	327.318	-0.109	20	0		EBADRL
O=C([O-])C1(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)CCOCC1	ZINC001605761044	972423618	/nfs/dbraw/zinc/42/36/18/972423618.db2.gz	DCCGSYWVPBAMMT-JTQLQIEISA-N	-2	0	330.337	-0.932	20	0		EBADRL
O=C([O-])c1c(F)ccc(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1F	ZINC000392300642	972466753	/nfs/dbraw/zinc/46/67/53/972466753.db2.gz	IVNILQKZYMBYGZ-UHFFFAOYSA-N	-2	0	349.271	-0.140	20	0		EBADRL
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001571174025	962078439	/nfs/dbraw/zinc/07/84/39/962078439.db2.gz	CYAGPUQWZDKZHU-ZETCQYMHSA-N	-2	0	327.247	-0.608	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]OCc2cccnc2)CCS(=O)(=O)CC1	ZINC001574633501	962312987	/nfs/dbraw/zinc/31/29/87/962312987.db2.gz	SPBJPYPUCHGVNI-UHFFFAOYSA-N	-2	0	328.346	-0.091	20	0		EBADRL
CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)S(C)(=O)=O	ZINC000315734242	963931257	/nfs/dbraw/zinc/93/12/57/963931257.db2.gz	CYVOCEKMXPYAHF-UHFFFAOYSA-N	-2	0	326.352	-0.526	20	0		EBADRL
COC(=O)C1CC2(C1)CN(C(=O)c1cc(=O)n(C)[n-]1)C[C@@H]2C(=O)[O-]	ZINC001604293108	972918527	/nfs/dbraw/zinc/91/85/27/972918527.db2.gz	UAYGMRQVACNEQE-OSPBMLLASA-N	-2	0	337.332	-0.148	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001591858656	976150898	/nfs/dbraw/zinc/15/08/98/976150898.db2.gz	FNNLLGZVALBPOE-HLTSFMKQSA-N	-2	0	340.298	-0.017	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(C)sc1C(=O)[O-]	ZINC001596968097	986180307	/nfs/dbraw/zinc/18/03/07/986180307.db2.gz	KACCPCDQGYFNKE-UHFFFAOYSA-N	-2	0	329.334	-0.123	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2	ZINC001589450716	986841815	/nfs/dbraw/zinc/84/18/15/986841815.db2.gz	FPAQJAQSQIVFSO-JGVFFNPUSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1	ZINC001589453246	986858573	/nfs/dbraw/zinc/85/85/73/986858573.db2.gz	PFBWXHCJCPKWEU-DTWKUNHWSA-N	-2	0	346.361	-0.045	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC001589454066	986873072	/nfs/dbraw/zinc/87/30/72/986873072.db2.gz	KYCRRMQBPSRDBP-JGVFFNPUSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1	ZINC001589454142	986874480	/nfs/dbraw/zinc/87/44/80/986874480.db2.gz	LYQBGISVWWWDPL-NKWVEPMBSA-N	-2	0	327.322	-0.707	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1	ZINC001589454438	986878863	/nfs/dbraw/zinc/87/88/63/986878863.db2.gz	WBCNRBCWKVZTBO-AXTSPUMRSA-N	-2	0	334.394	-0.167	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2	ZINC001589455261	986894520	/nfs/dbraw/zinc/89/45/20/986894520.db2.gz	XDXULMUHZHQARI-HTQZYQBOSA-N	-2	0	331.350	-0.418	20	0		EBADRL
C[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001594656737	986909609	/nfs/dbraw/zinc/90/96/09/986909609.db2.gz	DELLUQJBGHYAEI-APPZFPTMSA-N	-2	0	338.407	-0.124	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1	ZINC001589492093	987062271	/nfs/dbraw/zinc/06/22/71/987062271.db2.gz	RHBQROVELSJEIU-BYPYZUCNSA-N	-2	0	327.265	-0.446	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC001589494039	987069694	/nfs/dbraw/zinc/06/96/94/987069694.db2.gz	HXKJDONMXIQSHR-SDBXPKJASA-N	-2	0	332.378	-0.398	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1	ZINC001589494413	987071595	/nfs/dbraw/zinc/07/15/95/987071595.db2.gz	JRGKLHOAMUPODK-SSDOTTSWSA-N	-2	0	331.350	-0.260	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CN(C(=O)OC(C)(C)C)C1	ZINC001589496398	987077770	/nfs/dbraw/zinc/07/77/70/987077770.db2.gz	WCQLNSYKLFVFFF-ZETCQYMHSA-N	-2	0	336.366	-0.228	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1	ZINC001589657268	987629681	/nfs/dbraw/zinc/62/96/81/987629681.db2.gz	WXZVYNPMGZJOQV-MRVPVSSYSA-N	-2	0	338.320	-0.426	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)NCCCC(=O)[O-])cn1	ZINC001589660683	987635873	/nfs/dbraw/zinc/63/58/73/987635873.db2.gz	MSZPICZRQJEACJ-UHFFFAOYSA-N	-2	0	326.309	-0.378	20	0		EBADRL
CCn1cc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC001597884166	989718498	/nfs/dbraw/zinc/71/84/98/989718498.db2.gz	CIARSEMVSZALBG-UHFFFAOYSA-N	-2	0	344.393	-0.397	20	0		EBADRL
C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H](O)C(=O)[O-])C1CCCCC1	ZINC001599744496	991910365	/nfs/dbraw/zinc/91/03/65/991910365.db2.gz	ZUNKSCWJBZBATF-UGZDLDLSSA-N	-2	0	328.412	-0.303	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cn1	ZINC001599761437	992127560	/nfs/dbraw/zinc/12/75/60/992127560.db2.gz	ZSLXAJCLDMSZJX-BDAKNGLRSA-N	-2	0	329.334	-0.887	20	0		EBADRL
C[C@@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001593133457	993894655	/nfs/dbraw/zinc/89/46/55/993894655.db2.gz	ANLXXGXMYJZVLO-SECBINFHSA-N	-2	0	344.345	-0.168	20	0		EBADRL
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001598695233	995126151	/nfs/dbraw/zinc/12/61/51/995126151.db2.gz	QRAGMZXMMISJEB-ZCFIWIBFSA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001598699226	995194374	/nfs/dbraw/zinc/19/43/74/995194374.db2.gz	UWISLBWPUMKNAU-YFKPBYRVSA-N	-2	0	328.249	-0.152	20	0		EBADRL
C[C@@](O)(CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC001593416781	995200359	/nfs/dbraw/zinc/20/03/59/995200359.db2.gz	DTCNLNXKVHYWCX-LLVKDONJSA-N	-2	0	339.272	-0.223	20	0		EBADRL
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])(C1)C2	ZINC001598727440	995531129	/nfs/dbraw/zinc/53/11/29/995531129.db2.gz	UZZNBUUKUVGSGV-JFGCWXGISA-N	-2	0	333.362	-0.115	20	0		EBADRL
C[C@@]1(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCC(=O)NC1	ZINC001593755001	996401254	/nfs/dbraw/zinc/40/12/54/996401254.db2.gz	JIPOSBSIYGDVHD-LLVKDONJSA-N	-2	0	347.374	-0.438	20	0		EBADRL
COCC1(C(=O)[O-])CCN(S(=O)(=O)N(C)CCC(=O)[O-])CC1	ZINC001599194108	997182209	/nfs/dbraw/zinc/18/22/09/997182209.db2.gz	IDDNRNBCTACRMG-UHFFFAOYSA-N	-2	0	338.382	-0.549	20	0		EBADRL
COCc1nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)co1	ZINC001599298793	997195216	/nfs/dbraw/zinc/19/52/16/997195216.db2.gz	BCJDVKPUBLHJFD-UHFFFAOYSA-N	-2	0	347.349	-0.408	20	0		EBADRL
COC1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1	ZINC001599124924	997824515	/nfs/dbraw/zinc/82/45/15/997824515.db2.gz	VUWPDECGUPOIBV-UHFFFAOYSA-N	-2	0	333.366	-0.238	20	0		EBADRL
C[C@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CS2	ZINC001594086066	998008067	/nfs/dbraw/zinc/00/80/67/998008067.db2.gz	VCUHIWALNVWKQI-CPCISQLKSA-N	-2	0	336.391	-0.639	20	0		EBADRL
CO[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@](C)(C(=O)[O-])C1	ZINC001599136210	998048937	/nfs/dbraw/zinc/04/89/37/998048937.db2.gz	ARSBPYWDPDMBSH-KRTXAFLBSA-N	-2	0	332.334	-0.034	20	0		EBADRL
COC[C@@](C)([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC001599157314	998394948	/nfs/dbraw/zinc/39/49/48/998394948.db2.gz	ZASXBSBTNWBPKL-SNVBAGLBSA-N	-2	0	338.363	-0.302	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1	ZINC001598990371	998731440	/nfs/dbraw/zinc/73/14/40/998731440.db2.gz	FUMQJTKCDYNJNG-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
COC(CN(CCC(=O)[O-])C(=O)c1cnc([O-])n(C)c1=O)OC	ZINC001599045263	999146008	/nfs/dbraw/zinc/14/60/08/999146008.db2.gz	GWUZVWLIUXKZSI-UHFFFAOYSA-N	-2	0	329.309	-0.978	20	0		EBADRL
CO[C@@H](CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1)[C@@H]1CCOC1	ZINC001599060593	999262332	/nfs/dbraw/zinc/26/23/32/999262332.db2.gz	VHHKBAHILZAAFQ-SFYZADRCSA-N	-2	0	334.354	-0.775	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)C[C@@H](C(=O)[O-])O1	ZINC001594393427	999482669	/nfs/dbraw/zinc/48/26/69/999482669.db2.gz	NYSXHLJKQFTIBH-NAKRPEOUSA-N	-2	0	342.348	-0.744	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@H]2c2nnn[n-]2)cc1=O	ZINC001412427737	1129526445	/nfs/dbraw/zinc/52/64/45/1129526445.db2.gz	OKURNNJTESWDBS-NSHDSACASA-N	-2	0	335.368	-0.512	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC000275015493	304065891	/nfs/dbraw/zinc/06/58/91/304065891.db2.gz	QQHXFFPKDXUQNP-QMMMGPOBSA-N	-2	0	333.322	-0.996	20	0		EBADRL
Cc1ncc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C#N	ZINC000320664160	375893751	/nfs/dbraw/zinc/89/37/51/375893751.db2.gz	YEABZSFQJMEXKL-JTQLQIEISA-N	-2	0	327.318	-0.142	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274955504	379726945	/nfs/dbraw/zinc/72/69/45/379726945.db2.gz	ILMGAULYHKHAIX-SSDOTTSWSA-N	-2	0	349.317	-0.172	20	0		EBADRL
COc1cc(OC)cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275211050	379743093	/nfs/dbraw/zinc/74/30/93/379743093.db2.gz	HRMDGHKOHXGAFT-SNVBAGLBSA-N	-2	0	333.318	-0.090	20	0		EBADRL
COC(=O)c1c(C)cccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000614366826	379923797	/nfs/dbraw/zinc/92/37/97/379923797.db2.gz	KVFRPZVODCRJGM-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
COC(=O)c1nscc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547547409	380143516	/nfs/dbraw/zinc/14/35/16/380143516.db2.gz	AEMXVUMIJFURNR-SCSAIBSYSA-N	-2	0	338.319	-0.864	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000547884707	380168553	/nfs/dbraw/zinc/16/85/53/380168553.db2.gz	MLGBXJIOYFGZNE-SSDOTTSWSA-N	-2	0	348.333	-0.735	20	0		EBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C(=O)[O-]	ZINC000548250251	380193670	/nfs/dbraw/zinc/19/36/70/380193670.db2.gz	LBBLZJKBMWVHJU-WDEREUQCSA-N	-2	0	335.378	-0.150	20	0		EBADRL
CCn1cncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000548249999	380193820	/nfs/dbraw/zinc/19/38/20/380193820.db2.gz	JCMPIMIIPCJDDB-BDAKNGLRSA-N	-2	0	331.350	-0.301	20	0		EBADRL
CCn1cncc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000548250002	380193892	/nfs/dbraw/zinc/19/38/92/380193892.db2.gz	JCMPIMIIPCJDDB-RKDXNWHRSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COCCN(CCOC)C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000551593416	380267407	/nfs/dbraw/zinc/26/74/07/380267407.db2.gz	XJGXXXLIYFOCFO-GHMZBOCLSA-N	-2	0	332.353	-0.192	20	0		EBADRL
CCc1oc(C(=O)OC)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000548528052	380211740	/nfs/dbraw/zinc/21/17/40/380211740.db2.gz	AZRYCZPSOSJIDP-UHFFFAOYSA-N	-2	0	349.317	-0.212	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)N1CCc2ccccc2C1	ZINC000315948516	380595713	/nfs/dbraw/zinc/59/57/13/380595713.db2.gz	ZSRFMPVWVBJDKF-UHFFFAOYSA-N	-2	0	328.346	-0.239	20	0		EBADRL
Cc1cc(C(=O)Nc2cnn(CC(N)=O)c2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000353837186	382179211	/nfs/dbraw/zinc/17/92/11/382179211.db2.gz	SFCWZJOCBSXFFI-UHFFFAOYSA-N	-2	0	343.303	-0.321	20	0		EBADRL
C[C@](O)(CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000262781623	154247304	/nfs/dbraw/zinc/24/73/04/154247304.db2.gz	JDZIYWAJWYYBFY-ABAIWWIYSA-N	-2	0	335.316	-0.342	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000274919321	154628297	/nfs/dbraw/zinc/62/82/97/154628297.db2.gz	AUUHAYHRHTVPRT-ZCFIWIBFSA-N	-2	0	343.317	-0.690	20	0		EBADRL
Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274941705	154629865	/nfs/dbraw/zinc/62/98/65/154629865.db2.gz	RCOCVBVPDAFSDO-SSDOTTSWSA-N	-2	0	344.301	-0.662	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)cc1C(=O)[O-]	ZINC000344361131	156221496	/nfs/dbraw/zinc/22/14/96/156221496.db2.gz	OPYJEZCVLPKERT-UHFFFAOYSA-N	-2	0	341.349	-0.404	20	0		EBADRL
Cc1nc(=NC(=O)C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[n-]n1C	ZINC000652619383	419241496	/nfs/dbraw/zinc/24/14/96/419241496.db2.gz	JHPREJQBEXAJCW-INIZCTEOSA-N	-2	0	345.359	-0.357	20	0		EBADRL
CC(C)(CCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424403562	265061412	/nfs/dbraw/zinc/06/14/12/265061412.db2.gz	JRONPLBCOWFNLO-MRVPVSSYSA-N	-2	0	336.366	-0.620	20	0		EBADRL
Cn1nncc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000682832929	546340687	/nfs/dbraw/zinc/34/06/87/546340687.db2.gz	QIOPXZOAKCZUFZ-UHFFFAOYSA-N	-2	0	339.333	-0.570	20	0		EBADRL
CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000736376502	582931785	/nfs/dbraw/zinc/93/17/85/582931785.db2.gz	VKYXEAVBMDIJIC-SECBINFHSA-N	-2	0	346.365	-0.779	20	0		EBADRL
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000751263282	583143250	/nfs/dbraw/zinc/14/32/50/583143250.db2.gz	XMUVNSYVICHPBH-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
O=C(CCCC(=O)OCc1n[nH]c(=O)[n-]1)OCc1n[nH]c(=O)[n-]1	ZINC000774923969	583392542	/nfs/dbraw/zinc/39/25/42/583392542.db2.gz	NKCNAWOQKXQPSE-UHFFFAOYSA-N	-2	0	326.269	-0.709	20	0		EBADRL
Cn1c(Cl)ncc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000776437288	583404127	/nfs/dbraw/zinc/40/41/27/583404127.db2.gz	GOKCUQOJKCSMNR-YFKPBYRVSA-N	-2	0	325.730	-0.330	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000776437620	583404131	/nfs/dbraw/zinc/40/41/31/583404131.db2.gz	ZDAXUXXJVPSFII-SSDOTTSWSA-N	-2	0	329.290	-0.181	20	0		EBADRL
CN(C1CCOCC1)S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000788445287	583531203	/nfs/dbraw/zinc/53/12/03/583531203.db2.gz	CXBLHCWUBOWCFQ-SNVBAGLBSA-N	-2	0	338.382	-0.360	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000821126942	583785213	/nfs/dbraw/zinc/78/52/13/583785213.db2.gz	AONLUXQNGGHGSQ-UHFFFAOYSA-N	-2	0	349.390	-0.115	20	0		EBADRL
C[C@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000825064836	583854754	/nfs/dbraw/zinc/85/47/54/583854754.db2.gz	GNUXODUJXCMLNI-IUCAKERBSA-N	-2	0	349.409	-0.265	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ncccc1C(=O)N(C)C	ZINC000827303863	583918550	/nfs/dbraw/zinc/91/85/50/583918550.db2.gz	JVFUHXVADNEVAJ-QMMMGPOBSA-N	-2	0	343.361	-0.301	20	0		EBADRL
CCOCCS(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000827405020	583920850	/nfs/dbraw/zinc/92/08/50/583920850.db2.gz	KMHPBKRKOJPCLU-JTQLQIEISA-N	-2	0	338.382	-0.372	20	0		EBADRL
CC[C@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1	ZINC000828629002	583943690	/nfs/dbraw/zinc/94/36/90/583943690.db2.gz	YJOABMOJKBOZOR-GFCCVEGCSA-N	-2	0	332.382	-0.542	20	0		EBADRL
CC[C@@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000828700465	583945788	/nfs/dbraw/zinc/94/57/88/583945788.db2.gz	MNCZUKRHGRXKGF-GFCCVEGCSA-N	-2	0	342.333	-0.032	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000828964323	583949179	/nfs/dbraw/zinc/94/91/79/583949179.db2.gz	SAFZDJLDQBGMSN-QMMMGPOBSA-N	-2	0	343.427	-0.685	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000829001567	583949923	/nfs/dbraw/zinc/94/99/23/583949923.db2.gz	BDXXBWPMCKHUJA-LLVKDONJSA-N	-2	0	342.345	-0.813	20	0		EBADRL
COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000829284267	583952484	/nfs/dbraw/zinc/95/24/84/583952484.db2.gz	HODDVEHZESANOZ-SECBINFHSA-N	-2	0	329.334	-0.098	20	0		EBADRL
COc1ncc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000829661000	583955396	/nfs/dbraw/zinc/95/53/96/583955396.db2.gz	VGBCFXMRHUNINM-MRVPVSSYSA-N	-2	0	330.322	-0.703	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000830857112	583971608	/nfs/dbraw/zinc/97/16/08/583971608.db2.gz	QITGBRMNFVCOEO-SECBINFHSA-N	-2	0	346.365	-0.779	20	0		EBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC000831192361	583978912	/nfs/dbraw/zinc/97/89/12/583978912.db2.gz	ILNNPFGMIBDABE-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000831192170	583978934	/nfs/dbraw/zinc/97/89/34/583978934.db2.gz	DJMLWNCRJZZVNB-UHFFFAOYSA-N	-2	0	343.321	-0.711	20	0		EBADRL
NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831222426	583979638	/nfs/dbraw/zinc/97/96/38/583979638.db2.gz	HFRDPSISARUFPG-JTQLQIEISA-N	-2	0	341.345	-0.403	20	0		EBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)N1CCCCC1	ZINC000831387933	583982362	/nfs/dbraw/zinc/98/23/62/583982362.db2.gz	QYMCVCRRZWFRDT-JTQLQIEISA-N	-2	0	335.382	-0.398	20	0		EBADRL
O=C(CO[C@H]1CCCN(C(=O)[O-])C1)NCCCc1n[nH]c(=O)[n-]1	ZINC000831512444	583984145	/nfs/dbraw/zinc/98/41/45/583984145.db2.gz	ANLKDZBNJAPURX-VIFPVBQESA-N	-2	0	327.341	-0.282	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1	ZINC000831574171	583986225	/nfs/dbraw/zinc/98/62/25/583986225.db2.gz	RPWYIOOQZLGRJU-GHMZBOCLSA-N	-2	0	332.320	-0.216	20	0		EBADRL
O=C([O-])N1CC(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000831852960	583992876	/nfs/dbraw/zinc/99/28/76/583992876.db2.gz	YIZSAHKLVCQUEK-UHFFFAOYSA-N	-2	0	341.305	-0.924	20	0		EBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)n1	ZINC000833277022	584008457	/nfs/dbraw/zinc/00/84/57/584008457.db2.gz	YOQWNTRVZRACRG-UHFFFAOYSA-N	-2	0	338.301	-0.166	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)C1	ZINC000834050835	584025451	/nfs/dbraw/zinc/02/54/51/584025451.db2.gz	GWMBILXAEWTYDX-MRVPVSSYSA-N	-2	0	349.752	-0.081	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000834243699	584029976	/nfs/dbraw/zinc/02/99/76/584029976.db2.gz	ZCFXASQLAIAEHJ-UHFFFAOYSA-N	-2	0	337.741	-0.176	20	0		EBADRL
CCO[N-]C(=O)CNc1ncc(C)c(NCC(=O)[N-]OCC)n1	ZINC000845713502	584115109	/nfs/dbraw/zinc/11/51/09/584115109.db2.gz	LXTUMYCVWVZBLP-UHFFFAOYSA-N	-2	0	326.357	-0.256	20	0		EBADRL
CN(C)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233073	584167087	/nfs/dbraw/zinc/16/70/87/584167087.db2.gz	WGUHPBCCMRIKDG-RQJHMYQMSA-N	-2	0	347.315	-0.611	20	0		EBADRL
O=C([O-])CCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851702970	584200749	/nfs/dbraw/zinc/20/07/49/584200749.db2.gz	NVPZAONXIIZNFF-MUWHJKNJSA-N	-2	0	340.254	-0.026	20	0		EBADRL
O=C([O-])CCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851702971	584200858	/nfs/dbraw/zinc/20/08/58/584200858.db2.gz	NVPZAONXIIZNFF-RCOVLWMOSA-N	-2	0	340.254	-0.026	20	0		EBADRL
CS(=O)(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000852736777	584215292	/nfs/dbraw/zinc/21/52/92/584215292.db2.gz	OJRYSHZEZPWHIL-HTQZYQBOSA-N	-2	0	346.327	-0.373	20	0		EBADRL
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000863953327	584380789	/nfs/dbraw/zinc/38/07/89/584380789.db2.gz	SFMIDGCOPPCZKT-UHFFFAOYSA-N	-2	0	345.377	-0.180	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1C(N)=O	ZINC000863953663	584380887	/nfs/dbraw/zinc/38/08/87/584380887.db2.gz	ZPLLLHZBLKXYDD-VIFPVBQESA-N	-2	0	345.377	-0.324	20	0		EBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)s1	ZINC000863956780	584381099	/nfs/dbraw/zinc/38/10/99/584381099.db2.gz	GZFAUALQEDTEOI-LURJTMIESA-N	-2	0	348.362	-0.588	20	0		EBADRL
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCOCCOC	ZINC000863955881	584381107	/nfs/dbraw/zinc/38/11/07/584381107.db2.gz	CFJODFNGOLMAEF-UHFFFAOYSA-N	-2	0	325.383	-0.014	20	0		EBADRL
COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863959021	584381544	/nfs/dbraw/zinc/38/15/44/584381544.db2.gz	QSCHFIYCWPXQQT-BQBZGAKWSA-N	-2	0	327.380	-0.552	20	0		EBADRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CC1	ZINC000863963778	584381969	/nfs/dbraw/zinc/38/19/69/584381969.db2.gz	GWDZVKBKYXOQBN-MWLCHTKSSA-N	-2	0	343.361	-0.240	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1)OC	ZINC000863964480	584382129	/nfs/dbraw/zinc/38/21/29/584382129.db2.gz	KGUHASHKSAVGGX-VIFPVBQESA-N	-2	0	332.334	-0.499	20	0		EBADRL
O=C([O-])CCS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000738597567	599874731	/nfs/dbraw/zinc/87/47/31/599874731.db2.gz	ZLHAIFNPWXCJPD-UHFFFAOYSA-N	-2	0	330.318	-0.283	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C(N)=O	ZINC000314584459	600529143	/nfs/dbraw/zinc/52/91/43/600529143.db2.gz	PYGJVUXRISVVKY-UHFFFAOYSA-N	-2	0	327.322	-0.794	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)CC2CCN(C(=O)[O-])CC2)n[n-]1	ZINC000740007348	602029750	/nfs/dbraw/zinc/02/97/50/602029750.db2.gz	UWRIAJGSFSQYDU-UHFFFAOYSA-N	-2	0	331.354	-0.073	20	0		EBADRL
CC(C)N(CCCNC(=O)CCn1cc[nH]c(=O)c1=O)C(=O)[O-]	ZINC000738848919	602406572	/nfs/dbraw/zinc/40/65/72/602406572.db2.gz	FACNEGANXQLKAV-UHFFFAOYSA-N	-2	0	326.353	-0.179	20	0		EBADRL
C[C@@](CNC(=O)[O-])(NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC000738927058	602502988	/nfs/dbraw/zinc/50/29/88/602502988.db2.gz	SYLBHYJBKFQEMK-AWEZNQCLSA-N	-2	0	334.336	-0.376	20	0		EBADRL
O=C([O-])NC[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000740634244	602506679	/nfs/dbraw/zinc/50/66/79/602506679.db2.gz	MOZMKBZHDVNRPV-VIFPVBQESA-N	-2	0	334.336	-0.423	20	0		EBADRL
CCS(=O)(=O)[N-]C(=O)c1nnn(C2CCN(C(=O)[O-])CC2)c1C	ZINC000739519186	602686195	/nfs/dbraw/zinc/68/61/95/602686195.db2.gz	UOPIAASKKZFRTP-UHFFFAOYSA-N	-2	0	345.381	-0.019	20	0		EBADRL
O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740626515	602778216	/nfs/dbraw/zinc/77/82/16/602778216.db2.gz	YMVQGSJDQARBOR-PSASIEDQSA-N	-2	0	334.336	-0.376	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000740008973	602907848	/nfs/dbraw/zinc/90/78/48/602907848.db2.gz	PUNXAVJQCNVMLD-RXMQYKEDSA-N	-2	0	337.383	-0.464	20	0		EBADRL
CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000739299397	603144848	/nfs/dbraw/zinc/14/48/48/603144848.db2.gz	GQUIBEQSHUQSGQ-SNVBAGLBSA-N	-2	0	349.409	-0.309	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CN1Cc2ccccc2C1=O	ZINC000739692581	650037618	/nfs/dbraw/zinc/03/76/18/650037618.db2.gz	RWCFLSRKVKIBJJ-UHFFFAOYSA-N	-2	0	340.357	-0.047	20	0		EBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000912557560	650208896	/nfs/dbraw/zinc/20/88/96/650208896.db2.gz	DDAIQIVPDIVGAM-SSDOTTSWSA-N	-2	0	349.321	-0.817	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC3(C2)CCCN(Cc2n[nH]c(=O)[n-]2)C3)c1[O-]	ZINC000981719395	806248416	/nfs/dbraw/zinc/24/84/16/806248416.db2.gz	DBHIGGUUMBBANJ-UHFFFAOYSA-N	-2	0	347.379	-0.014	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccsc1C(=O)[O-]	ZINC001215386328	810325386	/nfs/dbraw/zinc/32/53/86/810325386.db2.gz	CCOGQMHZYISWBI-UHFFFAOYSA-N	-2	0	347.334	-0.543	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)c1cccc(O)c1)[C@@H](O)C(=O)[O-]	ZINC001222222650	811610030	/nfs/dbraw/zinc/61/00/30/811610030.db2.gz	NGYHYIDZBCHHCG-BXKDBHETSA-N	-2	0	326.257	-0.346	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001222968914	811674169	/nfs/dbraw/zinc/67/41/69/811674169.db2.gz	JOUUUHCHYYEILG-MWLCHTKSSA-N	-2	0	341.272	-0.552	20	0		EBADRL
Cn1nnc2cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21	ZINC001223037647	811677597	/nfs/dbraw/zinc/67/75/97/811677597.db2.gz	OUGIJXBCTINNDS-PELKAZGASA-N	-2	0	337.288	-0.452	20	0		EBADRL
NC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001223105625	811682632	/nfs/dbraw/zinc/68/26/32/811682632.db2.gz	IYOLJDFITBIYES-MWLCHTKSSA-N	-2	0	325.273	-0.635	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(-n2cncn2)cc1)[C@H](O)C(=O)[O-]	ZINC001223383773	811701430	/nfs/dbraw/zinc/70/14/30/811701430.db2.gz	FKJADLUVNKSMBN-YPMHNXCESA-N	-2	0	349.299	-0.153	20	0		EBADRL
COC(=O)c1cccnc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223436363	811705461	/nfs/dbraw/zinc/70/54/61/811705461.db2.gz	ABCQBPCDMDQOGH-KWQFWETISA-N	-2	0	341.272	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)Nc1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001224459462	811761917	/nfs/dbraw/zinc/76/19/17/811761917.db2.gz	BTTPJDOZHHRGBT-JOYOIKCWSA-N	-2	0	325.273	-0.295	20	0		EBADRL
NC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001225318445	811802433	/nfs/dbraw/zinc/80/24/33/811802433.db2.gz	APACXLWLWQOEGK-CABZTGNLSA-N	-2	0	325.273	-0.844	20	0		EBADRL
CNC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001225420209	811808706	/nfs/dbraw/zinc/80/87/06/811808706.db2.gz	VJBFPGSUPNAJCY-ONGXEEELSA-N	-2	0	325.273	-0.512	20	0		EBADRL
Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2c1NC(=O)C2	ZINC001225412448	811808997	/nfs/dbraw/zinc/80/89/97/811808997.db2.gz	XWZXJQRMLOPSLT-RNCFNFMXSA-N	-2	0	337.284	-0.069	20	0		EBADRL
O=C(Oc1nccc(C(F)(F)F)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225711419	811825809	/nfs/dbraw/zinc/82/58/09/811825809.db2.gz	WQILYTNSOZPQPD-SCSAIBSYSA-N	-2	0	332.127	-0.129	20	0		EBADRL
COC(=O)c1cc(O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225973327	811840721	/nfs/dbraw/zinc/84/07/21/811840721.db2.gz	KFJASYSSORCACV-KCJUWKMLSA-N	-2	0	342.256	-0.379	20	0		EBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001225981767	811841532	/nfs/dbraw/zinc/84/15/32/811841532.db2.gz	OXKVGQHNORPHIH-GXSJLCMTSA-N	-2	0	346.313	-0.468	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncn(-c2ccccc2)n1)[C@H](O)C(=O)[O-]	ZINC001226196285	811850929	/nfs/dbraw/zinc/85/09/29/811850929.db2.gz	LTHRHNGFNAEMFR-ONGXEEELSA-N	-2	0	335.272	-0.291	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncn(-c2ccccc2)n1)[C@@H](O)C(=O)[O-]	ZINC001226196283	811851452	/nfs/dbraw/zinc/85/14/52/811851452.db2.gz	LTHRHNGFNAEMFR-MWLCHTKSSA-N	-2	0	335.272	-0.291	20	0		EBADRL
Cn1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC001226242221	811854496	/nfs/dbraw/zinc/85/44/96/811854496.db2.gz	KUTBXTHXCYAKSE-RNHFCUEFSA-N	-2	0	340.210	-0.119	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226227779	811854659	/nfs/dbraw/zinc/85/46/59/811854659.db2.gz	WVFGFQQQEMPZBT-SPGJFGJESA-N	-2	0	340.210	-0.119	20	0		EBADRL
Cn1nc(N)c2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc21	ZINC001226287731	811857275	/nfs/dbraw/zinc/85/72/75/811857275.db2.gz	JDGFVFBGSRCTNR-KWQFWETISA-N	-2	0	337.288	-0.403	20	0		EBADRL
CC(=O)Nc1cccnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226311882	811860287	/nfs/dbraw/zinc/86/02/87/811860287.db2.gz	BRFTURCYBMNSHJ-XVKPBYJWSA-N	-2	0	326.261	-0.518	20	0		EBADRL
CCOC(=O)c1cncnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226551357	811869180	/nfs/dbraw/zinc/86/91/80/811869180.db2.gz	ISRLMWIRRNMNHY-RCOVLWMOSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc2ncnc-2c(S)[n-]1)[C@H](O)C(=O)[O-]	ZINC001226785088	811884714	/nfs/dbraw/zinc/88/47/14/811884714.db2.gz	JMWVUJKUNTYTLW-DZSWIPIPSA-N	-3	0	342.289	-0.917	20	0		EBADRL
COC(=O)c1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226948063	811891888	/nfs/dbraw/zinc/89/18/88/811891888.db2.gz	CPSCFZHGMMODJF-LHLIQPBNSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F	ZINC001226947785	811892651	/nfs/dbraw/zinc/89/26/51/811892651.db2.gz	WACXACTYKGSDMF-SECBINFHSA-N	-2	0	338.180	-0.012	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2[nH]ccc21)[C@@H](O)C(=O)[O-]	ZINC001227274943	811914159	/nfs/dbraw/zinc/91/41/59/811914159.db2.gz	QUFZMQKCHAMGFY-IYSWYEEDSA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C(Oc1[nH]c(=S)nc2nc[nH]c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001227615724	811930610	/nfs/dbraw/zinc/93/06/10/811930610.db2.gz	DNWWQONKCHVTRL-GSVOUGTGSA-N	-2	0	336.222	-0.983	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cc[nH]c21)[C@@H](O)C(=O)[O-]	ZINC001227808135	811942477	/nfs/dbraw/zinc/94/24/77/811942477.db2.gz	FBOSSTMJQUCGGC-RNHFCUEFSA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2sccc21)[C@@H](O)C(=O)[O-]	ZINC001227844783	811945828	/nfs/dbraw/zinc/94/58/28/811945828.db2.gz	CMYBTVNOOCFZSA-IYSWYEEDSA-N	-3	0	342.285	-0.161	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(Br)nn1)[C@H](O)C(=O)[O-]	ZINC001228282155	811974019	/nfs/dbraw/zinc/97/40/19/811974019.db2.gz	HRBZDLHCFLEJGC-VHWMUFPASA-N	-2	0	349.093	-0.319	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1C	ZINC001228708061	811996045	/nfs/dbraw/zinc/99/60/45/811996045.db2.gz	LCIMBCFCQJQFGZ-LDYMZIIASA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C(Oc1ccc2c(n1)CCCC2=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228751654	811997258	/nfs/dbraw/zinc/99/72/58/811997258.db2.gz	BCLXFZZJBFGIKS-SNVBAGLBSA-N	-2	0	331.217	-0.024	20	0		EBADRL
CCOC(=O)c1cnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001229855903	812059699	/nfs/dbraw/zinc/05/96/99/812059699.db2.gz	GEEAVOAWKBIXTP-APPZFPTMSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C(Oc1cccn2c(=O)ccnc12)[C@H](O)COP(=O)([O-])[O-]	ZINC001229930660	812063711	/nfs/dbraw/zinc/06/37/11/812063711.db2.gz	REQKJGZGCALZFM-SSDOTTSWSA-N	-2	0	330.189	-0.930	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccn2c(=O)ccnc12)[C@H](O)C(=O)[O-]	ZINC001229928195	812064016	/nfs/dbraw/zinc/06/40/16/812064016.db2.gz	BQNKSWKXSVTESY-HQJQHLMTSA-N	-2	0	336.256	-0.864	20	0		EBADRL
CCOC(=O)c1cnn(C)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230370373	812108512	/nfs/dbraw/zinc/10/85/12/812108512.db2.gz	SZJTWDICFJBHLW-HZGVNTEJSA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc(-c2nn[nH]n2)c1)[C@H](O)C(=O)[O-]	ZINC001231121920	812274540	/nfs/dbraw/zinc/27/45/40/812274540.db2.gz	PRTIGZFUWAHNNA-WPRPVWTQSA-N	-2	0	336.260	-0.692	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001233496260	812312923	/nfs/dbraw/zinc/31/29/23/812312923.db2.gz	ZUSCTIZJORVBOF-LDYMZIIASA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C(Oc1nc(Cl)nc2cc[nH]c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001234070907	812383266	/nfs/dbraw/zinc/38/32/66/812383266.db2.gz	TZQJIWSNBRRBBB-RXMQYKEDSA-N	-2	0	337.612	-0.013	20	0		EBADRL
COc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)n1	ZINC001234255633	812403777	/nfs/dbraw/zinc/40/37/77/812403777.db2.gz	LKBQXLDNPCVSGZ-QUBYGPBYSA-N	-2	0	329.261	-0.459	20	0		EBADRL
COC(=O)c1ccc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001234419753	812425043	/nfs/dbraw/zinc/42/50/43/812425043.db2.gz	FVQCKTCJWLZXQW-XCBNKYQSSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)S1	ZINC001260177931	812828515	/nfs/dbraw/zinc/82/85/15/812828515.db2.gz	QFHPTRDGECVRMC-YFKPBYRVSA-N	-2	0	348.753	-0.635	20	0		EBADRL
O=C(N=c1ncnc2[nH][nH]cc1-2)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148915253	830554968	/nfs/dbraw/zinc/55/49/68/830554968.db2.gz	NMSFWONFSAVSFQ-UHFFFAOYSA-N	-2	0	335.301	-0.069	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@@H]1CC(=O)N(c2nccs2)C1	ZINC001177336257	832775151	/nfs/dbraw/zinc/77/51/51/832775151.db2.gz	YQJCLLKJZQZREL-SSDOTTSWSA-N	-2	0	335.278	-0.279	20	0		EBADRL
Cn1ccc(C(=O)NC(=N)SCCS(=O)(=O)[O-])c1CC(=O)[O-]	ZINC001177371035	832777758	/nfs/dbraw/zinc/77/77/58/832777758.db2.gz	UHDMCWYRCUULPJ-UHFFFAOYSA-N	-2	0	349.390	-0.062	20	0		EBADRL
Nc1cn(C(=O)c2ccccc2OP(=O)([O-])[O-])c(N)nc1=O	ZINC001189904539	834207442	/nfs/dbraw/zinc/20/74/42/834207442.db2.gz	FNFJLLSVWVMOOV-UHFFFAOYSA-N	-2	0	326.205	-0.190	20	0		EBADRL
COC(=O)c1cncc(S(=O)(=O)NCCOP(=O)([O-])[O-])c1	ZINC001201861616	836206634	/nfs/dbraw/zinc/20/66/34/836206634.db2.gz	AXTAOWKDYJMKCB-UHFFFAOYSA-N	-2	0	340.250	-0.744	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc2c(c1)OCO2)[C@@H](O)C(=O)[O-]	ZINC001206272359	836635138	/nfs/dbraw/zinc/63/51/38/836635138.db2.gz	HEWXOUPVQTVSII-QPUJVOFHSA-N	-2	0	326.257	-0.005	20	0		EBADRL
O=C(OC[C@H]1COc2ccccc2O1)[C@H](O)COP(=O)([O-])[O-]	ZINC001206346084	836641749	/nfs/dbraw/zinc/64/17/49/836641749.db2.gz	KKPZYTMUWSRJTI-RKDXNWHRSA-N	-2	0	334.217	-0.160	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OC[C@H]1COc2ccccc2O1)[C@@H](O)C(=O)[O-]	ZINC001206345676	836642008	/nfs/dbraw/zinc/64/20/08/836642008.db2.gz	GSMLRYIBOSCGPP-VYUIOLGVSA-N	-2	0	340.284	-0.094	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc([S-])c1	ZINC001210945033	837354586	/nfs/dbraw/zinc/35/45/86/837354586.db2.gz	HDHWVBCNGIDBCQ-UHFFFAOYSA-N	-2	0	329.363	-0.014	20	0		EBADRL
O=C([O-])[C@@H]1CC(C(=O)NCc2nc(=O)o[n-]2)=NN1c1ccccc1	ZINC001611344559	971001857	/nfs/dbraw/zinc/00/18/57/971001857.db2.gz	SBUYNPGAHCZWFN-JTQLQIEISA-N	-2	0	331.288	-0.301	20	0		EBADRL
C[C@H](O)[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1	ZINC001570946324	949529348	/nfs/dbraw/zinc/52/93/48/949529348.db2.gz	LMWZKJYWXLAOPY-KWQFWETISA-N	-2	0	346.351	-0.803	20	0		EBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001594895720	954563533	/nfs/dbraw/zinc/56/35/33/954563533.db2.gz	HFPXSLQNIQJRLH-IYSWYEEDSA-N	-3	0	337.258	-0.394	20	0		EBADRL
O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001594718768	956946997	/nfs/dbraw/zinc/94/69/97/956946997.db2.gz	JYLCHEXSQVEWQA-LLVKDONJSA-N	-2	0	327.300	-0.157	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCc1cn(CC(=O)[O-])nn1	ZINC001588786321	961344973	/nfs/dbraw/zinc/34/49/73/961344973.db2.gz	PHYGZOOSRSRZJA-UHFFFAOYSA-N	-2	0	338.242	-0.137	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCCOCCOCC(=O)[O-]	ZINC001588786832	961348980	/nfs/dbraw/zinc/34/89/80/961348980.db2.gz	WFEHYHAVBTUAJQ-UHFFFAOYSA-N	-2	0	344.286	-0.323	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@](O)(C(=O)[O-])C1	ZINC001571179719	962139219	/nfs/dbraw/zinc/13/92/19/962139219.db2.gz	QXUOFBSPWLMGJN-ZDUSSCGKSA-N	-2	0	328.346	-0.280	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)c1[O-]	ZINC001571200108	962356093	/nfs/dbraw/zinc/35/60/93/962356093.db2.gz	GKLUZUOJVSFQGC-SECBINFHSA-N	-2	0	332.320	-0.079	20	0		EBADRL
COC[C@]1(C(=O)[O-])CN(S(=O)(=O)c2ccccc2[O-])CCO1	ZINC001574143278	962599533	/nfs/dbraw/zinc/59/95/33/962599533.db2.gz	OZCNXLFWQMQKNV-ZDUSSCGKSA-N	-2	0	331.346	-0.117	20	0		EBADRL
COC(=O)CCCO[N-]C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1	ZINC001604304644	972957064	/nfs/dbraw/zinc/95/70/64/972957064.db2.gz	UKNPHHZGFGJZGS-UHFFFAOYSA-N	-2	0	337.350	-0.733	20	0		EBADRL
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001591703341	975553823	/nfs/dbraw/zinc/55/38/23/975553823.db2.gz	CYHHEEAVPLECIC-VIFPVBQESA-N	-2	0	330.341	-0.194	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001591858657	976150782	/nfs/dbraw/zinc/15/07/82/976150782.db2.gz	FNNLLGZVALBPOE-VGMNWLOBSA-N	-2	0	340.298	-0.017	20	0		EBADRL
C[C@@H](CN(C)C(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC001592564532	978459198	/nfs/dbraw/zinc/45/91/98/978459198.db2.gz	ZFPBSLOSBHYOBL-QMMMGPOBSA-N	-2	0	340.336	-0.180	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1	ZINC001589452335	986848300	/nfs/dbraw/zinc/84/83/00/986848300.db2.gz	LBAUUGIGKPEYCU-SFYZADRCSA-N	-2	0	341.349	-0.778	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC001589454068	986873157	/nfs/dbraw/zinc/87/31/57/986873157.db2.gz	KYCRRMQBPSRDBP-YUMQZZPRSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC001589492807	987065165	/nfs/dbraw/zinc/06/51/65/987065165.db2.gz	YSVMJAIHBUYOAX-ZCFIWIBFSA-N	-2	0	328.302	-0.450	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)COc2ccccc21	ZINC001589495648	987075288	/nfs/dbraw/zinc/07/52/88/987075288.db2.gz	QBETUAMOVWIXBK-QMMMGPOBSA-N	-2	0	342.329	-0.669	20	0		EBADRL
CCn1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O	ZINC001597966652	990007162	/nfs/dbraw/zinc/00/71/62/990007162.db2.gz	XKCIQZGJZYMHPI-ZETCQYMHSA-N	-2	0	341.324	-0.477	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)[O-]	ZINC001590798258	990620025	/nfs/dbraw/zinc/62/00/25/990620025.db2.gz	OXLAPMVQFPPYOK-PBINXNQUSA-N	-2	0	347.389	-0.215	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)c1cnn2ccncc12)C(=O)[O-]	ZINC001590799070	990626214	/nfs/dbraw/zinc/62/62/14/990626214.db2.gz	KTQVULMINMWPKW-UHFFFAOYSA-N	-2	0	326.334	-0.100	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1	ZINC001599683736	990952718	/nfs/dbraw/zinc/95/27/18/990952718.db2.gz	XVNUBSIFURNJPM-NRFANRHFSA-N	-3	0	349.386	-0.277	20	0		EBADRL
CC(C)C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001591143744	991872094	/nfs/dbraw/zinc/87/20/94/991872094.db2.gz	CYUFAOUCGLDYLF-NXEZZACHSA-N	-2	0	330.337	-0.839	20	0		EBADRL
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])co1	ZINC001599764905	992171003	/nfs/dbraw/zinc/17/10/03/992171003.db2.gz	DMYKSKFWAWYWEM-UHFFFAOYSA-N	-2	0	325.320	-0.783	20	0		EBADRL
CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC001591594393	992815894	/nfs/dbraw/zinc/81/58/94/992815894.db2.gz	YGIMOANYXSREKN-VHSXEESVSA-N	-2	0	325.369	-0.100	20	0		EBADRL
COc1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c(OC)n1	ZINC001599589837	993664442	/nfs/dbraw/zinc/66/44/42/993664442.db2.gz	SRUCQSAEKPEJRZ-UHFFFAOYSA-N	-2	0	327.293	-0.050	20	0		EBADRL
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001598695601	995131900	/nfs/dbraw/zinc/13/19/00/995131900.db2.gz	WTTZEFZNDNCITR-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001598695779	995134706	/nfs/dbraw/zinc/13/47/06/995134706.db2.gz	ZNYXGPMDQBIUGE-VIFPVBQESA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)C12CC(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])(C1)C2	ZINC001598727441	995531640	/nfs/dbraw/zinc/53/16/40/995531640.db2.gz	UZZNBUUKUVGSGV-QGAWUEONSA-N	-2	0	333.362	-0.115	20	0		EBADRL
COC(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1	ZINC001598879951	996798502	/nfs/dbraw/zinc/79/85/02/996798502.db2.gz	MLFRJTCIYHDXSI-UHFFFAOYSA-N	-2	0	336.366	-0.224	20	0		EBADRL
COC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(=O)[O-]	ZINC001599177383	996875926	/nfs/dbraw/zinc/87/59/26/996875926.db2.gz	LADIEPPVTRIPEC-MRVPVSSYSA-N	-2	0	333.318	-0.229	20	0		EBADRL
CC1(Cn2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])nn2)COC1	ZINC001594043874	997682951	/nfs/dbraw/zinc/68/29/51/997682951.db2.gz	TUIQATBBHPAFDU-UHFFFAOYSA-N	-2	0	346.365	-0.761	20	0		EBADRL
COc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc2c1OCCO2	ZINC001599355479	998171479	/nfs/dbraw/zinc/17/14/79/998171479.db2.gz	WDLIZTMHILXKQP-UHFFFAOYSA-N	-2	0	331.302	-0.389	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)on1	ZINC001598956090	998243628	/nfs/dbraw/zinc/24/36/28/998243628.db2.gz	ZDVXAPVBMVHBNT-CWKFCGSDSA-N	-2	0	330.318	-0.151	20	0		EBADRL
COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1	ZINC001598985521	998693315	/nfs/dbraw/zinc/69/33/15/998693315.db2.gz	RRQPQNLFESZXNJ-QMMMGPOBSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@](C)(CO)C(=O)[O-])c(F)c1	ZINC001598987647	998708805	/nfs/dbraw/zinc/70/88/05/998708805.db2.gz	CVGCWTZYZKLSEW-LBPRGKRZSA-N	-2	0	335.309	-0.274	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1cnn(C)c1	ZINC001599028288	999032070	/nfs/dbraw/zinc/03/20/70/999032070.db2.gz	KVANGJKRUPMXCS-WEDXCCLWSA-N	-2	0	333.366	-0.337	20	0		EBADRL
C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC001594473406	999707174	/nfs/dbraw/zinc/70/71/74/999707174.db2.gz	LXTIBHKFGFIWRE-UWVGGRQHSA-N	-2	0	329.353	-0.280	20	0		EBADRL
C[C@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@H]1C(=O)[O-]	ZINC001594473407	999707276	/nfs/dbraw/zinc/70/72/76/999707276.db2.gz	LXTIBHKFGFIWRE-VHSXEESVSA-N	-2	0	329.353	-0.280	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC1(C(=O)[O-])CC1	ZINC000621571674	379325779	/nfs/dbraw/zinc/32/57/79/379325779.db2.gz	JCQJSXGIYRMBMT-QMMMGPOBSA-N	-2	0	345.377	-0.061	20	0		EBADRL
O=C([O-])CCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000270414585	379450447	/nfs/dbraw/zinc/45/04/47/379450447.db2.gz	LRYZDLOZRWGOCV-UHFFFAOYSA-N	-2	0	328.306	-0.421	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-]	ZINC000275154750	379740138	/nfs/dbraw/zinc/74/01/38/379740138.db2.gz	ZDAXUXXJVPSFII-ZETCQYMHSA-N	-2	0	329.290	-0.181	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cn1	ZINC000547558888	380145738	/nfs/dbraw/zinc/14/57/38/380145738.db2.gz	STTXKJNLFJGKGC-UHFFFAOYSA-N	-2	0	332.290	-0.972	20	0		EBADRL
CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000547881120	380168536	/nfs/dbraw/zinc/16/85/36/380168536.db2.gz	DVLIWLXGDTXJPI-ZCFIWIBFSA-N	-2	0	349.317	-0.165	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547934392	380172996	/nfs/dbraw/zinc/17/29/96/380172996.db2.gz	BPWOQADFJGRZKH-HQJQHLMTSA-N	-2	0	325.339	-0.720	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C[C@@H]1C(=O)[O-]	ZINC000548249674	380194188	/nfs/dbraw/zinc/19/41/88/380194188.db2.gz	DHIWKRZEIDMBBM-AXFHLTTASA-N	-2	0	335.378	-0.007	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262447	380195170	/nfs/dbraw/zinc/19/51/70/380195170.db2.gz	RZGMQSOWCCCFNG-GFCCVEGCSA-N	-2	0	333.366	-0.119	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000287415793	380351982	/nfs/dbraw/zinc/35/19/82/380351982.db2.gz	FPCJYEZISDSHPG-SSDOTTSWSA-N	-2	0	325.339	-0.720	20	0		EBADRL
CN1C(=O)Cc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21	ZINC000275030426	380567113	/nfs/dbraw/zinc/56/71/13/380567113.db2.gz	UCPMBLPIKHXULI-UHFFFAOYSA-N	-2	0	342.329	-0.635	20	0		EBADRL
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc21	ZINC000275005595	380567497	/nfs/dbraw/zinc/56/74/97/380567497.db2.gz	OWPQJBLXIMQNSC-SSDOTTSWSA-N	-2	0	342.329	-0.098	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275147100	380568677	/nfs/dbraw/zinc/56/86/77/380568677.db2.gz	RBBCFKYPZHESKQ-RKDXNWHRSA-N	-2	0	337.350	-0.623	20	0		EBADRL
C[C@@H]1CCCc2nc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cn21	ZINC000569321329	380638861	/nfs/dbraw/zinc/63/88/61/380638861.db2.gz	XICRXACIMODLIJ-MRVPVSSYSA-N	-2	0	331.350	-0.060	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000319635851	381618463	/nfs/dbraw/zinc/61/84/63/381618463.db2.gz	BKEUDNRHFFIDQW-JTQLQIEISA-N	-2	0	344.345	-0.310	20	0		EBADRL
CCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000262494475	154233747	/nfs/dbraw/zinc/23/37/47/154233747.db2.gz	XZZSJHMVMGWFIV-UHFFFAOYSA-N	-2	0	342.333	-0.079	20	0		EBADRL
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275070934	154636980	/nfs/dbraw/zinc/63/69/80/154636980.db2.gz	GYLRNVOJFZEYBJ-RKDXNWHRSA-N	-2	0	331.350	-0.177	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC	ZINC000530540953	418958214	/nfs/dbraw/zinc/95/82/14/418958214.db2.gz	PTSVRKBVWBADKC-LURJTMIESA-N	-2	0	338.363	-0.302	20	0		EBADRL
O=C([O-])[C@H]1CN(c2cc(N3CCO[C@@H](C(=O)[O-])C3)ncn2)CCO1	ZINC000662883447	421105650	/nfs/dbraw/zinc/10/56/50/421105650.db2.gz	KFVJRULPNJBQHG-NXEZZACHSA-N	-2	0	338.320	-0.944	20	0		EBADRL
Cc1c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cnn1C	ZINC000291840378	300986050	/nfs/dbraw/zinc/98/60/50/300986050.db2.gz	HFZYLUNNHFEUFA-IUCAKERBSA-N	-2	0	331.350	-0.475	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1C(N)=O	ZINC000738296925	582619905	/nfs/dbraw/zinc/61/99/05/582619905.db2.gz	YYLKXLWHCZAUBM-UHFFFAOYSA-N	-2	0	329.334	-0.443	20	0		EBADRL
CC(C)CN1C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1=O	ZINC000736432389	582934023	/nfs/dbraw/zinc/93/40/23/582934023.db2.gz	MJLNFGDSONWBDX-SNVBAGLBSA-N	-2	0	334.394	-0.198	20	0		EBADRL
C[C@@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736715132	582951074	/nfs/dbraw/zinc/95/10/74/582951074.db2.gz	NCSMDBXBEKZMRI-SSDOTTSWSA-N	-2	0	336.395	-0.394	20	0		EBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])cc1	ZINC000738177142	583044528	/nfs/dbraw/zinc/04/45/28/583044528.db2.gz	MDBHGEXVNAENKY-UHFFFAOYSA-N	-2	0	336.347	-0.837	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000838847391	583057942	/nfs/dbraw/zinc/05/79/42/583057942.db2.gz	VEWRQNXHCHVTTA-UHFFFAOYSA-N	-2	0	348.299	-0.547	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759512444	583214285	/nfs/dbraw/zinc/21/42/85/583214285.db2.gz	QLUFBSYQPRAPMV-LURJTMIESA-N	-2	0	334.316	-0.076	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000776438269	583404106	/nfs/dbraw/zinc/40/41/06/583404106.db2.gz	STVZKEHOSHKWBI-LURJTMIESA-N	-2	0	339.757	-0.022	20	0		EBADRL
Cn1cnc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1Cl	ZINC000776437191	583404121	/nfs/dbraw/zinc/40/41/21/583404121.db2.gz	BAGBRGUZXOGKCC-RXMQYKEDSA-N	-2	0	325.730	-0.330	20	0		EBADRL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000776646279	583408114	/nfs/dbraw/zinc/40/81/14/583408114.db2.gz	WXDNRXQQZWGOML-UHFFFAOYSA-N	-2	0	349.321	-0.945	20	0		EBADRL
CCN(C)S(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000826992424	583913669	/nfs/dbraw/zinc/91/36/69/583913669.db2.gz	MLLYCCCWEPPWQN-QMMMGPOBSA-N	-2	0	325.412	-0.215	20	0		EBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000827523929	583922772	/nfs/dbraw/zinc/92/27/72/583922772.db2.gz	AOZMCWYKMBXUPB-YFKPBYRVSA-N	-2	0	335.363	-0.302	20	0		EBADRL
CCc1ncncc1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000827642927	583925482	/nfs/dbraw/zinc/92/54/82/583925482.db2.gz	NXWDLGMHIUFHDE-QMMMGPOBSA-N	-2	0	328.350	-0.149	20	0		EBADRL
CN(CC(C)(C)CNC(=O)[O-])C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000828138011	583934148	/nfs/dbraw/zinc/93/41/48/583934148.db2.gz	PWSXCLBIVVHHHJ-UHFFFAOYSA-N	-2	0	336.352	-0.177	20	0		EBADRL
CN(C[C@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000828197674	583935695	/nfs/dbraw/zinc/93/56/95/583935695.db2.gz	DFQHRBKHOCGZHO-SECBINFHSA-N	-2	0	334.336	-0.328	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000828670025	583944697	/nfs/dbraw/zinc/94/46/97/583944697.db2.gz	AYUKNHHKSMYSCL-LLVKDONJSA-N	-2	0	340.329	-0.522	20	0		EBADRL
CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000829669823	583955644	/nfs/dbraw/zinc/95/56/44/583955644.db2.gz	PZTUXZBUNRHNCL-QMMMGPOBSA-N	-2	0	342.395	-0.991	20	0		EBADRL
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000830846552	583971397	/nfs/dbraw/zinc/97/13/97/583971397.db2.gz	PFSCESRTBNYKQU-VIFPVBQESA-N	-2	0	330.366	-0.151	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000831192585	583978908	/nfs/dbraw/zinc/97/89/08/583978908.db2.gz	PJYWQVIXJPCBHC-UHFFFAOYSA-N	-2	0	342.333	-0.106	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1	ZINC000831192973	583978927	/nfs/dbraw/zinc/97/89/27/583978927.db2.gz	XQTHYVBZPGRPSJ-UHFFFAOYSA-N	-2	0	343.321	-0.862	20	0		EBADRL
NC(=O)NCCCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831208106	583979440	/nfs/dbraw/zinc/97/94/40/583979440.db2.gz	KPOLBODANNQPEX-QMMMGPOBSA-N	-2	0	336.370	-0.977	20	0		EBADRL
NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)s1	ZINC000831222634	583979689	/nfs/dbraw/zinc/97/96/89/583979689.db2.gz	NSSNWDRLEDOHHE-LURJTMIESA-N	-2	0	347.374	-0.341	20	0		EBADRL
O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000831403554	583982322	/nfs/dbraw/zinc/98/23/22/583982322.db2.gz	YIRYUDBRJIEXPD-IUCAKERBSA-N	-2	0	342.381	-0.415	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)CCCn2cccn2)C1	ZINC000831428669	583982561	/nfs/dbraw/zinc/98/25/61/583982561.db2.gz	JNXQHEAVIPBAPN-JTQLQIEISA-N	-2	0	330.366	-0.138	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)C1	ZINC000831574174	583986249	/nfs/dbraw/zinc/98/62/49/583986249.db2.gz	RPWYIOOQZLGRJU-WDEREUQCSA-N	-2	0	332.320	-0.216	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1	ZINC000831747931	583991138	/nfs/dbraw/zinc/99/11/38/583991138.db2.gz	OXMYCYKDARZVKE-UWVGGRQHSA-N	-2	0	336.366	-0.620	20	0		EBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-])s1	ZINC000833397592	584009945	/nfs/dbraw/zinc/00/99/45/584009945.db2.gz	DYYIKSCSBAJHGM-LURJTMIESA-N	-2	0	349.390	-0.155	20	0		EBADRL
CCc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000833683839	584013641	/nfs/dbraw/zinc/01/36/41/584013641.db2.gz	WEMINEMXSIJXCW-UHFFFAOYSA-N	-2	0	334.306	-0.981	20	0		EBADRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)[N-]S(=O)(=O)N2CCOCC2)CC1	ZINC000834050987	584025496	/nfs/dbraw/zinc/02/54/96/584025496.db2.gz	NNZQNSCRUNEDFR-SNVBAGLBSA-N	-2	0	347.393	-0.540	20	0		EBADRL
O=C([O-])N1CCN(C(=O)[C@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC000834114552	584026560	/nfs/dbraw/zinc/02/65/60/584026560.db2.gz	DBGWQEUHDFVGTN-JTQLQIEISA-N	-2	0	338.368	-0.456	20	0		EBADRL
CCS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849230323	584167104	/nfs/dbraw/zinc/16/71/04/584167104.db2.gz	AYDPWHGVSONZMF-RNFRBKRXSA-N	-2	0	332.300	-0.068	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000863953466	584380814	/nfs/dbraw/zinc/38/08/14/584380814.db2.gz	VWIFQUQVBKEXEP-UHFFFAOYSA-N	-2	0	345.329	-0.246	20	0		EBADRL
COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1	ZINC000863954054	584380884	/nfs/dbraw/zinc/38/08/84/584380884.db2.gz	JXZYZYIZJNNEKH-UHFFFAOYSA-N	-2	0	345.329	-0.480	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1	ZINC000863954935	584381101	/nfs/dbraw/zinc/38/11/01/584381101.db2.gz	SPSZHQQEHGQYBO-UHFFFAOYSA-N	-2	0	332.359	-0.093	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)cn1	ZINC000863960863	584381769	/nfs/dbraw/zinc/38/17/69/584381769.db2.gz	BPQPNNMJSPBMCT-QMMMGPOBSA-N	-2	0	329.334	-0.339	20	0		EBADRL
O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1	ZINC000863962761	584381947	/nfs/dbraw/zinc/38/19/47/584381947.db2.gz	WOCUQCPAKKARPV-DTWKUNHWSA-N	-2	0	343.361	-0.029	20	0		EBADRL
CCc1nc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cn1CC1CC1	ZINC000863965678	584382375	/nfs/dbraw/zinc/38/23/75/584382375.db2.gz	ZAQMWCUXBVUKIK-UHFFFAOYSA-N	-2	0	345.377	-0.238	20	0		EBADRL
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCCNC(=O)[O-]	ZINC000740028316	602450263	/nfs/dbraw/zinc/45/02/63/602450263.db2.gz	NMHHWGUOFFPDTL-UHFFFAOYSA-N	-2	0	332.320	-0.126	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000740010389	602501289	/nfs/dbraw/zinc/50/12/89/602501289.db2.gz	BZUSCZXTLNDRDO-JGVFFNPUSA-N	-2	0	330.370	-0.511	20	0		EBADRL
C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738963647	602510710	/nfs/dbraw/zinc/51/07/10/602510710.db2.gz	DDCJQOKQLIFCLC-VHSXEESVSA-N	-2	0	348.363	-0.034	20	0		EBADRL
O=C([O-])NCc1nc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cs1	ZINC000740682574	602714189	/nfs/dbraw/zinc/71/41/89/602714189.db2.gz	UJJKRZXFYDZVMW-SSDOTTSWSA-N	-2	0	339.337	-0.363	20	0		EBADRL
O=C([O-])NCc1nc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cs1	ZINC000740682577	602714265	/nfs/dbraw/zinc/71/42/65/602714265.db2.gz	UJJKRZXFYDZVMW-ZETCQYMHSA-N	-2	0	339.337	-0.363	20	0		EBADRL
O=C([O-])N1CCc2c(cccc2NC(=O)C(=O)NCc2nnn[n-]2)C1	ZINC000740452998	602763854	/nfs/dbraw/zinc/76/38/54/602763854.db2.gz	WTHYQDIUJUXXSC-UHFFFAOYSA-N	-2	0	345.319	-0.509	20	0		EBADRL
C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000738995312	602950113	/nfs/dbraw/zinc/95/01/13/602950113.db2.gz	SYLILLCADBRQTP-QMMMGPOBSA-N	-2	0	343.361	-0.151	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)[O-]	ZINC000739469504	603073768	/nfs/dbraw/zinc/07/37/68/603073768.db2.gz	QHXJPBNSAXKKPT-SFYZADRCSA-N	-2	0	337.354	-0.969	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)[O-]	ZINC000739469502	603073786	/nfs/dbraw/zinc/07/37/86/603073786.db2.gz	QHXJPBNSAXKKPT-HTQZYQBOSA-N	-2	0	337.354	-0.969	20	0		EBADRL
O=C(CN1CCN(C(=O)[O-])CC1=O)[N-]S(=O)(=O)c1cccs1	ZINC000740367968	603144436	/nfs/dbraw/zinc/14/44/36/603144436.db2.gz	GHEXIXQGTRXEAC-UHFFFAOYSA-N	-2	0	347.374	-0.625	20	0		EBADRL
CCNC(=O)N[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000064940077	649964328	/nfs/dbraw/zinc/96/43/28/649964328.db2.gz	UHNMHHZZOZCPSU-UHFFFAOYSA-N	-2	0	345.333	-0.332	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2oc(=O)ccc2c1	ZINC000320842169	649995459	/nfs/dbraw/zinc/99/54/59/649995459.db2.gz	OQQCWXAPGAJAJU-UHFFFAOYSA-N	-2	0	341.297	-0.047	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000916110367	650272783	/nfs/dbraw/zinc/27/27/83/650272783.db2.gz	YHLDJQFTRLEBTG-MRVPVSSYSA-N	-3	0	335.265	-0.270	20	0		EBADRL
COc1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc(C(=O)[O-])c1OC	ZINC000917857663	650285120	/nfs/dbraw/zinc/28/51/20/650285120.db2.gz	TUBSAPYJORSSHN-QMMMGPOBSA-N	-2	0	349.317	-0.874	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@H]2C)c1[O-]	ZINC000965916993	724540078	/nfs/dbraw/zinc/54/00/78/724540078.db2.gz	NVNRQPVTSSEJHQ-APPZFPTMSA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cn1nnc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc21	ZINC000739062192	719419926	/nfs/dbraw/zinc/41/99/26/719419926.db2.gz	JKJPUXYGDGWFKS-UHFFFAOYSA-N	-2	0	326.334	-0.107	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)Cc2n[nH]c(=O)[n-]2)c1[O-]	ZINC000960554896	722838644	/nfs/dbraw/zinc/83/86/44/722838644.db2.gz	JQHCCHOOSVMTKG-SECBINFHSA-N	-2	0	335.368	-0.016	20	0		EBADRL
O=S(=O)([O-])c1cc(O)c(OC2CC(O)C2)c(S(=O)(=O)[O-])c1	ZINC001218259050	810484611	/nfs/dbraw/zinc/48/46/11/810484611.db2.gz	TWTLPSKUZSORNK-UHFFFAOYSA-N	-2	0	340.331	-0.212	20	0		EBADRL
CCc1nc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1)CNC2	ZINC001218416244	810490732	/nfs/dbraw/zinc/49/07/32/810490732.db2.gz	GPQDLOVCOGCQLO-UPONEAKYSA-N	-2	0	339.304	-0.916	20	0		EBADRL
NNCc1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001218418295	810491878	/nfs/dbraw/zinc/49/18/78/810491878.db2.gz	QHRWOKDSROADOT-KWQFWETISA-N	-2	0	346.723	-0.255	20	0		EBADRL
CCc1nc2c(c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1)CNC2	ZINC001218441514	810493118	/nfs/dbraw/zinc/49/31/18/810493118.db2.gz	WVWORMFVYBWWMX-MRVPVSSYSA-N	-2	0	333.237	-0.982	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCC3(CN(Cc4n[nH]c(=O)[n-]4)C3)CC2)c1[O-]	ZINC001035686897	810987593	/nfs/dbraw/zinc/98/75/93/810987593.db2.gz	SZUBSQWZGLRFMQ-UHFFFAOYSA-N	-2	0	347.379	-0.014	20	0		EBADRL
CC(=O)Nc1nc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cs1	ZINC001222880999	811664210	/nfs/dbraw/zinc/66/42/10/811664210.db2.gz	UIWXWTOYXXUOTG-SSDOTTSWSA-N	-2	0	340.250	-0.385	20	0		EBADRL
COC(=O)c1csc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223013699	811676570	/nfs/dbraw/zinc/67/65/70/811676570.db2.gz	RTVNOBSSUOJRJV-ANLVUFKYSA-N	-2	0	347.301	-0.491	20	0		EBADRL
Cn1nnc2cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21	ZINC001223037648	811677480	/nfs/dbraw/zinc/67/74/80/811677480.db2.gz	OUGIJXBCTINNDS-PRHODGIISA-N	-2	0	337.288	-0.452	20	0		EBADRL
CCOC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])o1	ZINC001223084820	811682441	/nfs/dbraw/zinc/68/24/41/811682441.db2.gz	JTBKYQDYLFJKFR-MRVPVSSYSA-N	-2	0	338.205	-0.030	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1cccc2c1OCO2)[C@H](O)C(=O)[O-]	ZINC001223268183	811694705	/nfs/dbraw/zinc/69/47/05/811694705.db2.gz	YWVYBFDMRHURLP-KCJUWKMLSA-N	-2	0	326.257	-0.005	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1cccc2c1OCO2)[C@@H](O)C(=O)[O-]	ZINC001223268188	811695041	/nfs/dbraw/zinc/69/50/41/811695041.db2.gz	YWVYBFDMRHURLP-LDYMZIIASA-N	-2	0	326.257	-0.005	20	0		EBADRL
NC(=O)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223724147	811726767	/nfs/dbraw/zinc/72/67/67/811726767.db2.gz	OGYQARSHSMUXDC-ONGXEEELSA-N	-2	0	325.273	-0.635	20	0		EBADRL
COc1cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)n1	ZINC001224117173	811745289	/nfs/dbraw/zinc/74/52/89/811745289.db2.gz	LZPNUWBIMLSVCN-SKDRFNHKSA-N	-2	0	327.289	-0.022	20	0		EBADRL
CCOC(=O)c1cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])ccn1	ZINC001224131593	811745816	/nfs/dbraw/zinc/74/58/16/811745816.db2.gz	ZOIYTVONGUVUJI-SNVBAGLBSA-N	-2	0	349.232	-0.228	20	0		EBADRL
CC(C)(C)OC(=O)NCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224337941	811756904	/nfs/dbraw/zinc/75/69/04/811756904.db2.gz	QMJZRTPRYJLKFU-CBAPKCEASA-N	-2	0	335.309	-0.409	20	0		EBADRL
COc1ccccc1NC(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001224460761	811761746	/nfs/dbraw/zinc/76/17/46/811761746.db2.gz	PQNODVYIKIMBOR-SECBINFHSA-N	-2	0	349.232	-0.353	20	0		EBADRL
CC(C)(C)OC(=O)NCCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224658247	811770774	/nfs/dbraw/zinc/77/07/74/811770774.db2.gz	YBKJEJWZLUJADO-WCBMZHEXSA-N	-2	0	349.336	-0.019	20	0		EBADRL
CN(C)Cc1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225281863	811800974	/nfs/dbraw/zinc/80/09/74/811800974.db2.gz	LCFCPBKLQOZVSR-PELKAZGASA-N	-2	0	326.305	-0.415	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2[nH]c(=O)ccc2c1)[C@H](O)C(=O)[O-]	ZINC001225402186	811808216	/nfs/dbraw/zinc/80/82/16/811808216.db2.gz	JFLWRQDOGBAKCD-ZANVPECISA-N	-2	0	335.268	-0.030	20	0		EBADRL
COCc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[nH]c(=S)n1	ZINC001225936625	811837902	/nfs/dbraw/zinc/83/79/02/811837902.db2.gz	BNTGLGGSIMMNIB-MUWHJKNJSA-N	-2	0	346.317	-0.647	20	0		EBADRL
CCOC(=O)c1ccncc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226693078	811878316	/nfs/dbraw/zinc/87/83/16/811878316.db2.gz	VXACFRPKCMVJGZ-MRVPVSSYSA-N	-2	0	335.205	-0.366	20	0		EBADRL
CC(C)N1C(=S)N=NC1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227223628	811911381	/nfs/dbraw/zinc/91/13/81/811911381.db2.gz	CIEQXFUKXGQYRS-RXMQYKEDSA-N	-2	0	327.255	-0.477	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001227736891	811940108	/nfs/dbraw/zinc/94/01/08/811940108.db2.gz	AYSNLTYJDRDBMU-XCBNKYQSSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)Cc1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228269205	811973052	/nfs/dbraw/zinc/97/30/52/811973052.db2.gz	UXEUGFCZYYMNGV-SECBINFHSA-N	-2	0	334.217	-0.222	20	0		EBADRL
CCOc1ncc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001228365095	811976130	/nfs/dbraw/zinc/97/61/30/811976130.db2.gz	GRAIRJXUZNJMTM-SVGQVSJJSA-N	-2	0	332.240	-0.544	20	0		EBADRL
CCOC(=O)c1cnoc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228720191	811996073	/nfs/dbraw/zinc/99/60/73/811996073.db2.gz	XXGVUVIKMUQRDP-SVGQVSJJSA-N	-2	0	331.233	-0.707	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc2c(cc1O)CCC2=O)[C@@H](O)C(=O)[O-]	ZINC001228855764	812000783	/nfs/dbraw/zinc/00/07/83/812000783.db2.gz	QGNJPQBFWAYABC-ISVAXAHUSA-N	-2	0	338.268	-0.037	20	0		EBADRL
CNC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229317028	812025989	/nfs/dbraw/zinc/02/59/89/812025989.db2.gz	CXAWYKKDHCWCAB-LDYMZIIASA-N	-2	0	325.273	-0.512	20	0		EBADRL
COCC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001229740519	812053160	/nfs/dbraw/zinc/05/31/60/812053160.db2.gz	IBTRHVQWAWXBRN-GXFFZTMASA-N	-2	0	340.284	-0.043	20	0		EBADRL
Nc1nc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc2s1	ZINC001229994473	812067306	/nfs/dbraw/zinc/06/73/06/812067306.db2.gz	YMCYUMVMZIYDAV-SPGJFGJESA-N	-2	0	341.301	-0.285	20	0		EBADRL
CCn1nc(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C	ZINC001233660351	812327690	/nfs/dbraw/zinc/32/76/90/812327690.db2.gz	OVWVTGVADIFNJV-KWQFWETISA-N	-2	0	342.304	-0.144	20	0		EBADRL
CNC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001233983696	812373415	/nfs/dbraw/zinc/37/34/15/812373415.db2.gz	XZGFLMWMPLZIGC-ONGXEEELSA-N	-2	0	325.273	-0.512	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccnc(-c2ccccn2)n1)[C@H](O)C(=O)[O-]	ZINC001233992110	812373637	/nfs/dbraw/zinc/37/36/37/812373637.db2.gz	PHTFFIJLJQEEGR-PELKAZGASA-N	-2	0	347.283	-0.020	20	0		EBADRL
COC(=O)c1cc(C)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001234002240	812374831	/nfs/dbraw/zinc/37/48/31/812374831.db2.gz	ADMDJLPAQSJSDE-KCJUWKMLSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccnc(-c2ccccn2)n1)[C@H](O)C(=O)[O-]	ZINC001233992113	812375736	/nfs/dbraw/zinc/37/57/36/812375736.db2.gz	PHTFFIJLJQEEGR-UFBFGSQYSA-N	-2	0	347.283	-0.020	20	0		EBADRL
CCOC(=O)c1cccnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234618255	812444419	/nfs/dbraw/zinc/44/44/19/812444419.db2.gz	ITDVQQKZJMOKHH-PSASIEDQSA-N	-2	0	341.272	-0.300	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001234649572	812447081	/nfs/dbraw/zinc/44/70/81/812447081.db2.gz	QBLSEZQKZNGIOF-KCJUWKMLSA-N	-2	0	326.261	-0.518	20	0		EBADRL
Cc1[nH]nc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@@]3(C)C2)c1[O-]	ZINC001091600957	818014558	/nfs/dbraw/zinc/01/45/58/818014558.db2.gz	DWLODBPYJFFHBG-PSLIRLAXSA-N	-2	0	347.379	-0.158	20	0		EBADRL
CO[N-]C(=O)CNC(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC001157836988	831596657	/nfs/dbraw/zinc/59/66/57/831596657.db2.gz	SMGGXYYPXRCOLQ-UHFFFAOYSA-N	-2	0	336.373	-0.131	20	0		EBADRL
O=P([O-])([O-])OCCNc1nc2nc[nH]c2c(N2CCOCC2)n1	ZINC001168590202	832428067	/nfs/dbraw/zinc/42/80/67/832428067.db2.gz	VOTIUXYOLLNAGL-UHFFFAOYSA-N	-2	0	344.268	-0.289	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(C(=O)[O-])cc1	ZINC001176711545	832687572	/nfs/dbraw/zinc/68/75/72/832687572.db2.gz	MZPXSECJIAYKSZ-UHFFFAOYSA-N	-2	0	341.305	-0.604	20	0		EBADRL
Nc1cn(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)nc1N	ZINC001189916003	834208057	/nfs/dbraw/zinc/20/80/57/834208057.db2.gz	ZWYJTWDPNNXKSJ-UHFFFAOYSA-N	-2	0	326.290	-0.319	20	0		EBADRL
O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ncc[nH]3)ccc21	ZINC001190728454	834327913	/nfs/dbraw/zinc/32/79/13/834327913.db2.gz	XZRHUFXXOFYMRD-UHFFFAOYSA-N	-2	0	328.331	-0.357	20	0		EBADRL
COc1ccc(C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001204807148	836530802	/nfs/dbraw/zinc/53/08/02/836530802.db2.gz	YLQOHRLUZNATDZ-LLVKDONJSA-N	-2	0	334.217	-0.109	20	0		EBADRL
CO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)o1	ZINC001213912652	837897006	/nfs/dbraw/zinc/89/70/06/837897006.db2.gz	IROSFOMGRBUJRZ-UHFFFAOYSA-N	-2	0	326.714	-0.325	20	0		EBADRL
COc1cc(OC)nc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000323016679	970958534	/nfs/dbraw/zinc/95/85/34/970958534.db2.gz	HMCGGGCCORLKCL-UHFFFAOYSA-N	-2	0	343.321	-0.424	20	0		EBADRL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1	ZINC001595168271	952212748	/nfs/dbraw/zinc/21/27/48/952212748.db2.gz	AOGIUAMHABUVHA-BDAKNGLRSA-N	-2	0	345.381	-0.517	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)on1	ZINC001595214154	952365005	/nfs/dbraw/zinc/36/50/05/952365005.db2.gz	AIYCOIRHRWZSLG-ZCFIWIBFSA-N	-2	0	343.317	-0.811	20	0		EBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1nnc[nH]1	ZINC001594888367	954484417	/nfs/dbraw/zinc/48/44/17/954484417.db2.gz	CCOVJRZSPDPWOQ-IMTBSYHQSA-N	-2	0	349.269	-0.530	20	0		EBADRL
COC(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593829254	955134349	/nfs/dbraw/zinc/13/43/49/955134349.db2.gz	FPZVLDYLDDGNNE-IMTBSYHQSA-N	-2	0	340.254	-0.328	20	0		EBADRL
CC(=O)NCCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@H](C)C(=O)[O-]	ZINC001588508013	958746092	/nfs/dbraw/zinc/74/60/92/958746092.db2.gz	YMOYZNNUYOSFAD-ZCFIWIBFSA-N	-2	0	331.354	-0.960	20	0		EBADRL
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001594480871	959629047	/nfs/dbraw/zinc/62/90/47/959629047.db2.gz	XQVJYLGFTKZXJX-UHFFFAOYSA-N	-2	0	342.333	-0.229	20	0		EBADRL
CC(C)CN(Cc1nnn[n-]1)C(=O)c1cccn(CC(=O)[O-])c1=O	ZINC001588870273	962051838	/nfs/dbraw/zinc/05/18/38/962051838.db2.gz	DIPAHQBFTLUASK-UHFFFAOYSA-N	-2	0	334.336	-0.256	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n[nH]1	ZINC001604375821	973092556	/nfs/dbraw/zinc/09/25/56/973092556.db2.gz	AJQBWUGXPNFEHG-YUMQZZPRSA-N	-2	0	331.350	-0.072	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC001606273056	973647998	/nfs/dbraw/zinc/64/79/98/973647998.db2.gz	QTTUZSHQWMHTJA-UHFFFAOYSA-N	-2	0	327.265	-0.946	20	0		EBADRL
Cn1cnc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC001605519413	973700899	/nfs/dbraw/zinc/70/08/99/973700899.db2.gz	HJBGYTVCTYIGQV-NKWVEPMBSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([O-])[C@H](Cc1ccncc1)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001605680217	974093401	/nfs/dbraw/zinc/09/34/01/974093401.db2.gz	IGDZMVBIDJEDBM-JTQLQIEISA-N	-2	0	335.320	-0.323	20	0		EBADRL
CCc1c(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cnn1C	ZINC001603966805	974442269	/nfs/dbraw/zinc/44/22/69/974442269.db2.gz	WBUDCJOAOXNBAH-UHFFFAOYSA-N	-2	0	328.306	-0.213	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001591858658	976150745	/nfs/dbraw/zinc/15/07/45/976150745.db2.gz	FNNLLGZVALBPOE-YIZRAAEISA-N	-2	0	340.298	-0.017	20	0		EBADRL
C[C@](CCF)(NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC001592497568	978300196	/nfs/dbraw/zinc/30/01/96/978300196.db2.gz	ANAMSOGREXVJHN-GFCCVEGCSA-N	-2	0	334.325	-0.028	20	0		EBADRL
C[C@H](O)[C@@H](NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-]	ZINC001599905003	984910690	/nfs/dbraw/zinc/91/06/90/984910690.db2.gz	NJZFEYWZWDAJNL-AJAUBTJJSA-N	-2	0	339.272	-0.225	20	0		EBADRL
CC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001589105516	985332184	/nfs/dbraw/zinc/33/21/84/985332184.db2.gz	LQOKRWSQMFBGAZ-MRVPVSSYSA-N	-2	0	328.346	-0.145	20	0		EBADRL
CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC001589165940	985509195	/nfs/dbraw/zinc/50/91/95/985509195.db2.gz	JRBJNQMWYGAXGW-LLVKDONJSA-N	-2	0	334.394	-0.008	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])n1nnnc1C(C)(C)C	ZINC001589424036	986686562	/nfs/dbraw/zinc/68/65/62/986686562.db2.gz	QOYQLNRDYYWNPP-RNFRBKRXSA-N	-2	0	333.370	-0.549	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C	ZINC001589450255	986839571	/nfs/dbraw/zinc/83/95/71/986839571.db2.gz	CCIRVXJUKXNWKL-BQBZGAKWSA-N	-2	0	331.350	-0.707	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O	ZINC001589450676	986840643	/nfs/dbraw/zinc/84/06/43/986840643.db2.gz	DZOHWKLMFDGMAE-JGVFFNPUSA-N	-2	0	334.350	-0.919	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O	ZINC001589454678	986882595	/nfs/dbraw/zinc/88/25/95/986882595.db2.gz	XFFQUPIFPHXIKI-UWVGGRQHSA-N	-2	0	330.362	-0.206	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1noc2c1COCC2	ZINC001589455046	986890146	/nfs/dbraw/zinc/89/01/46/986890146.db2.gz	UVSMDHXEVPDOMP-NKWVEPMBSA-N	-2	0	332.334	-0.084	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1	ZINC001589492588	987064084	/nfs/dbraw/zinc/06/40/84/987064084.db2.gz	UYTCVGOXAQSDQG-SECBINFHSA-N	-2	0	334.394	-0.008	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1	ZINC001589493000	987066732	/nfs/dbraw/zinc/06/67/32/987066732.db2.gz	BAZSXIYGEQHHIL-SECBINFHSA-N	-2	0	334.394	-0.008	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC001589493008	987067194	/nfs/dbraw/zinc/06/71/94/987067194.db2.gz	BCOMLYSQSUFFLX-XCBNKYQSSA-N	-2	0	327.314	-0.313	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1	ZINC001589496518	987078700	/nfs/dbraw/zinc/07/87/00/987078700.db2.gz	XPVQUJGIWRNLIV-ZETCQYMHSA-N	-2	0	334.375	-0.261	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC001589496641	987079830	/nfs/dbraw/zinc/07/98/30/987079830.db2.gz	ZOAVSQROBWVLRV-IWSPIJDZSA-N	-2	0	346.361	-0.919	20	0		EBADRL
CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])cc1	ZINC001589643994	987576016	/nfs/dbraw/zinc/57/60/16/987576016.db2.gz	KDLVEJLJCHTZPV-JTQLQIEISA-N	-2	0	331.346	-0.227	20	0		EBADRL
CN(C)S(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001598267785	991119174	/nfs/dbraw/zinc/11/91/74/991119174.db2.gz	XNTWOEHABVAZJG-ZETCQYMHSA-N	-2	0	339.370	-0.723	20	0		EBADRL
COc1cc[nH]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1	ZINC001599722840	991569192	/nfs/dbraw/zinc/56/91/92/991569192.db2.gz	VCYFMYBHKUDPEG-UHFFFAOYSA-N	-2	0	325.306	-0.116	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)cn1	ZINC001599761307	992125301	/nfs/dbraw/zinc/12/53/01/992125301.db2.gz	VNANRHYQKOGWSF-ZDUSSCGKSA-N	-2	0	343.361	-0.326	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001599762097	992136533	/nfs/dbraw/zinc/13/65/33/992136533.db2.gz	JJBXOVWCGHLJLG-UHFFFAOYSA-N	-2	0	341.389	-0.100	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1=O	ZINC001598551880	993013319	/nfs/dbraw/zinc/01/33/19/993013319.db2.gz	CKCSOOHMFOJWNK-UHFFFAOYSA-N	-2	0	331.281	-0.389	20	0		EBADRL
CN1C(=O)C[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])[C@@H]1c1cccnc1	ZINC001598553055	993025734	/nfs/dbraw/zinc/02/57/34/993025734.db2.gz	GOKSIEMAQXWBQH-SKDRFNHKSA-N	-2	0	341.345	-0.868	20	0		EBADRL
C[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC001593778863	996487622	/nfs/dbraw/zinc/48/76/22/996487622.db2.gz	OZOUTKXPZSOEAI-GFCCVEGCSA-N	-2	0	331.350	-0.157	20	0		EBADRL
COCc1cc(C(=O)[O-])cc(S(=O)(=O)NCCOCC(=O)[O-])c1	ZINC001599279654	996873040	/nfs/dbraw/zinc/87/30/40/996873040.db2.gz	NQRJCFJRCMAZAV-UHFFFAOYSA-N	-2	0	347.345	-0.089	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-]	ZINC001599502929	997158190	/nfs/dbraw/zinc/15/81/90/997158190.db2.gz	CRFNWSNHYWMJJM-MRVPVSSYSA-N	-2	0	333.318	-0.493	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c[nH]1	ZINC001598920061	997547946	/nfs/dbraw/zinc/54/79/46/997547946.db2.gz	QWBXISCQFMCDHZ-RNFRBKRXSA-N	-2	0	332.334	-0.030	20	0		EBADRL
CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-]	ZINC001599138526	998086134	/nfs/dbraw/zinc/08/61/34/998086134.db2.gz	KUNFZXRSAULGRE-GWOFURMSSA-N	-2	0	337.394	-0.017	20	0		EBADRL
CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-]	ZINC001599138527	998086305	/nfs/dbraw/zinc/08/63/05/998086305.db2.gz	KUNFZXRSAULGRE-LMLFDSFASA-N	-2	0	337.394	-0.017	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccn1)OC	ZINC001599165599	998536967	/nfs/dbraw/zinc/53/69/67/998536967.db2.gz	HZQZNSRNZIJVKI-VIFPVBQESA-N	-2	0	332.334	-0.499	20	0		EBADRL
COC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001599167900	998569301	/nfs/dbraw/zinc/56/93/01/998569301.db2.gz	WCCXYNCIJKEYSF-RYUDHWBXSA-N	-2	0	335.316	-0.078	20	0		EBADRL
C[C@@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC001594432246	999608523	/nfs/dbraw/zinc/60/85/23/999608523.db2.gz	QWJAZPWBSYWCEF-PSASIEDQSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC[C@@H](NC(=O)c1nc[n-]c(=O)c1Br)c1nnn[n-]1	ZINC001412600424	1129571986	/nfs/dbraw/zinc/57/19/86/1129571986.db2.gz	DGLKJQTXOHYPAC-SCSAIBSYSA-N	-2	0	344.129	-0.425	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000275298462	304066058	/nfs/dbraw/zinc/06/60/58/304066058.db2.gz	VFFOTUPJXLLGJA-UHFFFAOYSA-N	-2	0	327.265	-0.692	20	0		EBADRL
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000261622041	304188254	/nfs/dbraw/zinc/18/82/54/304188254.db2.gz	CFZQTBGRHQJTCO-MRVPVSSYSA-N	-2	0	340.317	-0.326	20	0		EBADRL
CC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)[C@H](CC)CN1Cc1n[nH]c(=O)[n-]1	ZINC000091622474	377016280	/nfs/dbraw/zinc/01/62/80/377016280.db2.gz	CZOQIURMDBTVIG-NXEZZACHSA-N	-2	0	336.400	-0.616	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000274903606	379723550	/nfs/dbraw/zinc/72/35/50/379723550.db2.gz	IVPQJQXFSNPPDQ-LURJTMIESA-N	-2	0	335.290	-0.419	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275082413	379735427	/nfs/dbraw/zinc/73/54/27/379735427.db2.gz	IXKWHGWBLHSRFU-HRDYMLBCSA-N	-2	0	337.350	-0.767	20	0		EBADRL
C[C@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275079199	379736163	/nfs/dbraw/zinc/73/61/63/379736163.db2.gz	YJWUXLQZRGLRFS-ZCFIWIBFSA-N	-2	0	342.333	-0.032	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000539190642	379991937	/nfs/dbraw/zinc/99/19/37/379991937.db2.gz	GXPVZJDVUHTWGT-UHFFFAOYSA-N	-2	0	343.321	-0.181	20	0		EBADRL
Cc1nc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1C	ZINC000547596319	380148870	/nfs/dbraw/zinc/14/88/70/380148870.db2.gz	RVIFSRRZBBETRC-LBPRGKRZSA-N	-2	0	331.350	-0.331	20	0		EBADRL
CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000547776814	380163425	/nfs/dbraw/zinc/16/34/25/380163425.db2.gz	LDNUJECUVXGSJA-UHFFFAOYSA-N	-2	0	330.318	-0.794	20	0		EBADRL
Cc1cc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)on1	ZINC000547925081	380170893	/nfs/dbraw/zinc/17/08/93/380170893.db2.gz	PHIOSOTWTUGXQR-VHSXEESVSA-N	-2	0	332.334	-0.080	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000548203695	380189014	/nfs/dbraw/zinc/18/90/14/380189014.db2.gz	WAUGIEMDVPCVLT-LURJTMIESA-N	-2	0	335.290	-0.338	20	0		EBADRL
O=C([O-])[C@H]1CN(S(=O)(=O)CC2CCOCC2)CC[C@@H]1C(=O)[O-]	ZINC000548250250	380193469	/nfs/dbraw/zinc/19/34/69/380193469.db2.gz	LBBLZJKBMWVHJU-QWRGUYRKSA-N	-2	0	335.378	-0.150	20	0		EBADRL
CCc1noc2ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000548534072	380213292	/nfs/dbraw/zinc/21/32/92/380213292.db2.gz	PGYBBXGTESAKTK-VIFPVBQESA-N	-2	0	343.317	-0.009	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000548530879	380213439	/nfs/dbraw/zinc/21/34/39/380213439.db2.gz	WAUGIEMDVPCVLT-ZCFIWIBFSA-N	-2	0	335.290	-0.338	20	0		EBADRL
Cc1nc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1C	ZINC000275097965	380568827	/nfs/dbraw/zinc/56/88/27/380568827.db2.gz	LBXCZDUFEDVCOW-DTWKUNHWSA-N	-2	0	331.350	-0.475	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275147099	380569102	/nfs/dbraw/zinc/56/91/02/380569102.db2.gz	RBBCFKYPZHESKQ-IUCAKERBSA-N	-2	0	337.350	-0.623	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000275278225	380570743	/nfs/dbraw/zinc/57/07/43/380570743.db2.gz	NWWKMLUMWHROQJ-MRVPVSSYSA-N	-2	0	333.318	-0.090	20	0		EBADRL
Cn1ncc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1C(=O)[O-]	ZINC000536685155	381568602	/nfs/dbraw/zinc/56/86/02/381568602.db2.gz	OUSGIHUJVMRIOA-UHFFFAOYSA-N	-2	0	349.332	-0.105	20	0		EBADRL
C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CCO1	ZINC000571805767	381620237	/nfs/dbraw/zinc/62/02/37/381620237.db2.gz	FOCWAVFOEPPLDS-GWOFURMSSA-N	-2	0	335.378	-0.009	20	0		EBADRL
Cc1ncc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)n1C	ZINC000629302692	382104170	/nfs/dbraw/zinc/10/41/70/382104170.db2.gz	FNFNAQBGUXVPIA-LBPRGKRZSA-N	-2	0	331.350	-0.331	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000261612925	154193365	/nfs/dbraw/zinc/19/33/65/154193365.db2.gz	AOLHKWIANJTBSK-ZCFIWIBFSA-N	-2	0	340.317	-0.469	20	0		EBADRL
C[C@@](O)(CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000262567588	154237667	/nfs/dbraw/zinc/23/76/67/154237667.db2.gz	YFMDBEMVUUZOPI-GFCCVEGCSA-N	-2	0	334.325	-0.237	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000274926363	154628866	/nfs/dbraw/zinc/62/88/66/154628866.db2.gz	CAAUZAAZVGPUNC-ZETCQYMHSA-N	-2	0	331.302	-0.131	20	0		EBADRL
COc1cncc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000281746522	154786444	/nfs/dbraw/zinc/78/64/44/154786444.db2.gz	FILQZEQBIRCDNH-MNOVXSKESA-N	-2	0	344.345	-0.114	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)no1	ZINC000343124116	156101886	/nfs/dbraw/zinc/10/18/86/156101886.db2.gz	OHQSNUUBZVWQTF-UHFFFAOYSA-N	-2	0	347.334	-0.064	20	0		EBADRL
COc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1Cl	ZINC000650387897	419012020	/nfs/dbraw/zinc/01/20/20/419012020.db2.gz	GOSHHOOJEDGQAO-SSDOTTSWSA-N	-2	0	338.725	-0.050	20	0		EBADRL
COC1(C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])CCC1	ZINC000652108526	419210188	/nfs/dbraw/zinc/21/01/88/419210188.db2.gz	QJUDAFBZPDHHCK-SECBINFHSA-N	-2	0	325.321	-0.372	20	0		EBADRL
COC(=O)c1cc(C)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000274919190	419325240	/nfs/dbraw/zinc/32/52/40/419325240.db2.gz	ASLXZSDQGXBFBI-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
CNC(=O)c1ccc(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000520235376	419553920	/nfs/dbraw/zinc/55/39/20/419553920.db2.gz	ZBZPUUXPQNUCDX-JTQLQIEISA-N	-2	0	344.345	-0.607	20	0		EBADRL
O=C([O-])c1cccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1	ZINC000424242970	265054576	/nfs/dbraw/zinc/05/45/76/265054576.db2.gz	MPDZVIWODPOJGI-JTQLQIEISA-N	-2	0	327.314	-0.291	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1C	ZINC000596033422	545801633	/nfs/dbraw/zinc/80/16/33/545801633.db2.gz	VJHKLDNKLUXYOP-SSDOTTSWSA-N	-2	0	349.317	-0.029	20	0		EBADRL
Cc1c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])coc1C(=O)N(C)C	ZINC000650413674	582548397	/nfs/dbraw/zinc/54/83/97/582548397.db2.gz	ZOKWWKPRURGFSJ-UHFFFAOYSA-N	-2	0	348.333	-0.550	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1	ZINC000737681423	582603328	/nfs/dbraw/zinc/60/33/28/582603328.db2.gz	JLEWMYFXCYRLGW-LURJTMIESA-N	-2	0	331.302	-0.077	20	0		EBADRL
COC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000737637705	583023975	/nfs/dbraw/zinc/02/39/75/583023975.db2.gz	GPSGBQAYACQPBR-UHFFFAOYSA-N	-2	0	330.318	-0.064	20	0		EBADRL
COc1ncc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000738145702	583043543	/nfs/dbraw/zinc/04/35/43/583043543.db2.gz	MYIGQFDCSQFEOC-UHFFFAOYSA-N	-2	0	344.349	-0.744	20	0		EBADRL
Cn1c(=O)c2ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc2[n-]c1=S	ZINC000769746028	583327216	/nfs/dbraw/zinc/32/72/16/583327216.db2.gz	WNQVGQVKQDVTCP-CQSZACIVSA-N	-2	0	337.357	-0.212	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000776441150	583404118	/nfs/dbraw/zinc/40/41/18/583404118.db2.gz	FUTUQLMYHVRGFS-SECBINFHSA-N	-2	0	349.292	-0.182	20	0		EBADRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnn2cc(Br)cnc12	ZINC000816730732	583720169	/nfs/dbraw/zinc/72/01/69/583720169.db2.gz	MZOXTYVDEQGUFT-UHFFFAOYSA-N	-2	0	340.097	-0.122	20	0		EBADRL
O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000826833405	583911110	/nfs/dbraw/zinc/91/11/10/583911110.db2.gz	CPMMZLJCGSNBLE-JTQLQIEISA-N	-2	0	343.303	-0.243	20	0		EBADRL
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000827327518	583919126	/nfs/dbraw/zinc/91/91/26/583919126.db2.gz	JUUNEQFZSRZEEN-QMMMGPOBSA-N	-2	0	337.354	-0.679	20	0		EBADRL
CCc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cnn1C	ZINC000827552590	583923589	/nfs/dbraw/zinc/92/35/89/583923589.db2.gz	XEFQXSYCJPKIMI-QMMMGPOBSA-N	-2	0	330.366	-0.206	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)[C@]2(F)CCN(C(=O)[O-])C2)cn1	ZINC000827707564	583926707	/nfs/dbraw/zinc/92/67/07/583926707.db2.gz	TWEXYYPOPQPKCI-NSHDSACASA-N	-2	0	334.329	-0.200	20	0		EBADRL
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000828459725	583939744	/nfs/dbraw/zinc/93/97/44/583939744.db2.gz	MMHLUYCBAZDUPA-BDAKNGLRSA-N	-2	0	333.366	-0.947	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@]1(F)CCN(C(=O)[O-])C1	ZINC000828963712	583949000	/nfs/dbraw/zinc/94/90/00/583949000.db2.gz	BJDSTSDZGRBABI-SNVBAGLBSA-N	-2	0	327.334	-0.982	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000831710194	583990395	/nfs/dbraw/zinc/99/03/95/583990395.db2.gz	QFOOFYWWRYQRBV-UHFFFAOYSA-N	-2	0	346.361	-0.297	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000831767870	583991417	/nfs/dbraw/zinc/99/14/17/583991417.db2.gz	UELFFNQHEKNLKD-QWRGUYRKSA-N	-2	0	337.394	-0.014	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)C1CC1	ZINC000833692685	584014026	/nfs/dbraw/zinc/01/40/26/584014026.db2.gz	ULHNICYKSYXWLS-UHFFFAOYSA-N	-2	0	347.393	-0.988	20	0		EBADRL
C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(=O)N(C)C)cc1	ZINC000833894923	584019246	/nfs/dbraw/zinc/01/92/46/584019246.db2.gz	KIRATVOAQOZTRY-MRVPVSSYSA-N	-2	0	343.361	-0.151	20	0		EBADRL
CCO[N-]C(=O)CNc1nc(C)nc(NCC(=O)[N-]OCC)n1	ZINC000845714370	584115222	/nfs/dbraw/zinc/11/52/22/584115222.db2.gz	UMRUBNKQSQBOPB-UHFFFAOYSA-N	-2	0	327.345	-0.861	20	0		EBADRL
CNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849231836	584167078	/nfs/dbraw/zinc/16/70/78/584167078.db2.gz	HYKNZCNARWJYBE-WDSKDSINSA-N	-2	0	333.288	-0.953	20	0		EBADRL
CCNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233063	584167095	/nfs/dbraw/zinc/16/70/95/584167095.db2.gz	WGDHZMZPUDWRIN-NKWVEPMBSA-N	-2	0	347.315	-0.563	20	0		EBADRL
Cn1nncc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851700570	584200402	/nfs/dbraw/zinc/20/04/02/584200402.db2.gz	CAFASJPXBFYZQP-POYBYMJQSA-N	-2	0	349.269	-0.449	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851704087	584200875	/nfs/dbraw/zinc/20/08/75/584200875.db2.gz	SGZIWWKCJYJCAG-XVMARJQXSA-N	-2	0	340.254	-0.170	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000013028176	584310881	/nfs/dbraw/zinc/31/08/81/584310881.db2.gz	YHLDJQFTRLEBTG-QMMMGPOBSA-N	-3	0	335.265	-0.270	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c(C)nn1C	ZINC000863959579	584381503	/nfs/dbraw/zinc/38/15/03/584381503.db2.gz	JIWJYMWCNOYBFD-UHFFFAOYSA-N	-2	0	343.361	-0.037	20	0		EBADRL
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863961235	584381689	/nfs/dbraw/zinc/38/16/89/584381689.db2.gz	IKQBMEPGJQFKNW-MRVPVSSYSA-N	-2	0	341.407	-0.018	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)OC	ZINC000863964151	584381867	/nfs/dbraw/zinc/38/18/67/584381867.db2.gz	FRLYYJOQCREHQD-IUCAKERBSA-N	-2	0	325.383	-0.159	20	0		EBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000863964349	584381872	/nfs/dbraw/zinc/38/18/72/584381872.db2.gz	RMQYQUALFLHXPM-MRVPVSSYSA-N	-2	0	331.350	-0.240	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1)OC	ZINC000863964479	584382138	/nfs/dbraw/zinc/38/21/38/584382138.db2.gz	KGUHASHKSAVGGX-SECBINFHSA-N	-2	0	332.334	-0.499	20	0		EBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-]	ZINC000739808897	600093786	/nfs/dbraw/zinc/09/37/86/600093786.db2.gz	KSRFZFYIHYRSIE-UHFFFAOYSA-N	-2	0	334.281	-0.997	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1	ZINC000739825591	600243392	/nfs/dbraw/zinc/24/33/92/600243392.db2.gz	KECNEHWEXRXPDF-NSHDSACASA-N	-2	0	329.330	-0.002	20	0		EBADRL
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740316020	600377443	/nfs/dbraw/zinc/37/74/43/600377443.db2.gz	KYOFZXWPXZQSMW-WDEREUQCSA-N	-2	0	338.341	-0.502	20	0		EBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1ccc(Br)cn1	ZINC000739932782	600441101	/nfs/dbraw/zinc/44/11/01/600441101.db2.gz	VDKNPJCAAGJNCB-UHFFFAOYSA-N	-2	0	338.139	-0.083	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1	ZINC000739695744	600462968	/nfs/dbraw/zinc/46/29/68/600462968.db2.gz	NDUHJQNKJFWLBC-LLVKDONJSA-N	-2	0	346.405	-0.054	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@]12CCC(=O)N1CCS2	ZINC000739695075	600464710	/nfs/dbraw/zinc/46/47/10/600464710.db2.gz	BPBOOCAYMYEPKM-LLVKDONJSA-N	-2	0	336.391	-0.637	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000740014780	602500591	/nfs/dbraw/zinc/50/05/91/602500591.db2.gz	BZUSCZXTLNDRDO-HTQZYQBOSA-N	-2	0	330.370	-0.511	20	0		EBADRL
COC1(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CCN(C(=O)[O-])CC1	ZINC000739798819	602501338	/nfs/dbraw/zinc/50/13/38/602501338.db2.gz	KYPWGDSCBZKQQL-SECBINFHSA-N	-2	0	340.340	-0.741	20	0		EBADRL
CN(C(=O)[O-])[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000739581074	602510667	/nfs/dbraw/zinc/51/06/67/602510667.db2.gz	AAHBASAQVYQILL-SECBINFHSA-N	-2	0	334.336	-0.328	20	0		EBADRL
O=C([O-])N1CCc2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc21	ZINC000740451955	602763903	/nfs/dbraw/zinc/76/39/03/602763903.db2.gz	CZQKFICHIUBJGM-UHFFFAOYSA-N	-2	0	331.292	-0.505	20	0		EBADRL
O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740626523	602778099	/nfs/dbraw/zinc/77/80/99/602778099.db2.gz	YMVQGSJDQARBOR-WPRPVWTQSA-N	-2	0	334.336	-0.376	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000740009185	602999485	/nfs/dbraw/zinc/99/94/85/602999485.db2.gz	SRTCYHDTJANJRH-JGVFFNPUSA-N	-2	0	326.396	-0.389	20	0		EBADRL
CC(=O)N[C@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000060631459	649961590	/nfs/dbraw/zinc/96/15/90/649961590.db2.gz	ZJRJXJLRTLKRHM-SECBINFHSA-N	-2	0	331.332	-0.137	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@@H]2C)c1[O-]	ZINC000941964253	653008922	/nfs/dbraw/zinc/00/89/22/653008922.db2.gz	PZLKYQSGAHHHRW-IONNQARKSA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@@H]2C)c1[O-]	ZINC000965916995	724540099	/nfs/dbraw/zinc/54/00/99/724540099.db2.gz	NVNRQPVTSSEJHQ-IONNQARKSA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cn1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1	ZINC000398096115	719415684	/nfs/dbraw/zinc/41/56/84/719415684.db2.gz	QTMQKSWPPBVKAF-UHFFFAOYSA-N	-2	0	333.276	-0.335	20	0		EBADRL
COC(=O)c1ncccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001222747449	811658283	/nfs/dbraw/zinc/65/82/83/811658283.db2.gz	VCVOFDZBOMNBDM-KCJUWKMLSA-N	-2	0	341.272	-0.552	20	0		EBADRL
CC(=O)Nc1nc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cs1	ZINC001222879423	811663978	/nfs/dbraw/zinc/66/39/78/811663978.db2.gz	CUEZAKYSZUNGSX-CBAPKCEASA-N	-2	0	346.317	-0.319	20	0		EBADRL
CCOC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])nc1	ZINC001222979167	811674325	/nfs/dbraw/zinc/67/43/25/811674325.db2.gz	PGQHMZTVLMOTFR-SNVBAGLBSA-N	-2	0	349.232	-0.228	20	0		EBADRL
COc1ccnc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C	ZINC001223623006	811718434	/nfs/dbraw/zinc/71/84/34/811718434.db2.gz	AXWJLEDONTYPJH-UFBFGSQYSA-N	-2	0	327.289	-0.022	20	0		EBADRL
CCOC(=O)/C=C(/COC(=O)[C@H](O)COP(=O)([O-])[O-])OCC	ZINC001225029003	811788561	/nfs/dbraw/zinc/78/85/61/811788561.db2.gz	LGJCAVKKAPICFB-BZJXQOFCSA-N	-2	0	342.237	-0.517	20	0		EBADRL
CCOC(=O)/C=C(/COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])OCC	ZINC001225029629	811788963	/nfs/dbraw/zinc/78/89/63/811788963.db2.gz	UYYAMUYBQZXJNV-ZGYDDTJLSA-N	-2	0	348.304	-0.451	20	0		EBADRL
CCn1c(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1=O	ZINC001225440854	811810219	/nfs/dbraw/zinc/81/02/19/811810219.db2.gz	AILXQGCQAGIYSJ-BXKDBHETSA-N	-2	0	327.289	-0.382	20	0		EBADRL
CC(=O)c1c(O)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225675052	811823041	/nfs/dbraw/zinc/82/30/41/811823041.db2.gz	QTBXTGGKWGMNNT-JVXZTZIISA-N	-2	0	342.256	-0.258	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nccc(C(F)(F)F)n1)[C@H](O)C(=O)[O-]	ZINC001225709634	811825289	/nfs/dbraw/zinc/82/52/89/811825289.db2.gz	AVCIFEBUPFSEFJ-FFWSUHOLSA-N	-2	0	338.194	-0.063	20	0		EBADRL
Cn1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1C(F)(F)F	ZINC001226243108	811854114	/nfs/dbraw/zinc/85/41/14/811854114.db2.gz	SZHUDOQDNQZIEY-SCSAIBSYSA-N	-2	0	334.143	-0.186	20	0		EBADRL
Cn1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC001226242222	811854623	/nfs/dbraw/zinc/85/46/23/811854623.db2.gz	KUTBXTHXCYAKSE-SPGJFGJESA-N	-2	0	340.210	-0.119	20	0		EBADRL
COC(=O)c1cncc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001226323457	811860145	/nfs/dbraw/zinc/86/01/45/811860145.db2.gz	WMSSCPLNBJJJFI-SCZZXKLOSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2ccc(F)cc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001226407121	811864367	/nfs/dbraw/zinc/86/43/67/811864367.db2.gz	KIIPMCNIBPWRDL-MRVPVSSYSA-N	-3	0	348.179	-0.150	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncncc1Br)[C@H](O)C(=O)[O-]	ZINC001226567733	811871156	/nfs/dbraw/zinc/87/11/56/811871156.db2.gz	INXLUMIURJAHJA-FBCQKBJTSA-N	-2	0	349.093	-0.319	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001226699213	811880338	/nfs/dbraw/zinc/88/03/38/811880338.db2.gz	OXBXMKAJAFQPLV-KCJUWKMLSA-N	-2	0	341.272	-0.300	20	0		EBADRL
Cn1c(=O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2ccccc21	ZINC001227094161	811902783	/nfs/dbraw/zinc/90/27/83/811902783.db2.gz	YQISEYDHXBZOOI-LKFCYVNXSA-N	-2	0	349.295	-0.020	20	0		EBADRL
CC(C)N1C(=S)N=NC1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227226424	811912432	/nfs/dbraw/zinc/91/24/32/811912432.db2.gz	PWXSISFVBFOFSO-VDTYLAMSSA-N	-2	0	333.322	-0.411	20	0		EBADRL
COc1cnnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl	ZINC001227257811	811913093	/nfs/dbraw/zinc/91/30/93/811913093.db2.gz	LEDZXMUXDHXRCV-RNHFCUEFSA-N	-2	0	334.668	-0.420	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ncsc21)[C@H](O)C(=O)[O-]	ZINC001227612718	811930015	/nfs/dbraw/zinc/93/00/15/811930015.db2.gz	ZPBKYBMEZJOQIZ-UCORVYFPSA-N	-3	0	343.273	-0.766	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)C(=O)NCC2)[C@H](O)C(=O)[O-]	ZINC001227958780	811952660	/nfs/dbraw/zinc/95/26/60/811952660.db2.gz	ROJAOUNKVUNVQW-PWSUYJOCSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2[nH]cnc21)[C@@H](O)C(=O)[O-]	ZINC001228506899	811984363	/nfs/dbraw/zinc/98/43/63/811984363.db2.gz	ACQFAULBBQZORD-AWFVSMACSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2[nH]cnc21)[C@@H](O)C(=O)[O-]	ZINC001228506900	811984660	/nfs/dbraw/zinc/98/46/60/811984660.db2.gz	ACQFAULBBQZORD-BBIVZNJYSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(-c2ccncc2)n1)[C@@H](O)C(=O)[O-]	ZINC001228700129	811994648	/nfs/dbraw/zinc/99/46/48/811994648.db2.gz	ODBRTOVGYKATJE-IONNQARKSA-N	-2	0	336.260	-0.692	20	0		EBADRL
COC(=O)c1ccc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228788243	811996526	/nfs/dbraw/zinc/99/65/26/811996526.db2.gz	OYGMTDBKMSIKEI-SCZZXKLOSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cn2nc(Cl)ccc2n1)[C@@H](O)C(=O)[O-]	ZINC001228840385	811999312	/nfs/dbraw/zinc/99/93/12/811999312.db2.gz	LABZWMPHVYBPIA-GPXNAGAYSA-N	-2	0	343.679	-0.176	20	0		EBADRL
CSc1cc(C)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001229076447	812010057	/nfs/dbraw/zinc/01/00/57/812010057.db2.gz	UNVWHRIQVDIVNZ-HZGVNTEJSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001229101948	812011299	/nfs/dbraw/zinc/01/12/99/812011299.db2.gz	BAQAZTZVGWGUCJ-GZMMTYOYSA-N	-2	0	326.261	-0.518	20	0		EBADRL
CSc1cc(C)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001229076452	812011792	/nfs/dbraw/zinc/01/17/92/812011792.db2.gz	UNVWHRIQVDIVNZ-RCOVLWMOSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CCOC(=O)c1ncccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229149586	812014027	/nfs/dbraw/zinc/01/40/27/812014027.db2.gz	KHMOKWIRZICLRX-SSDOTTSWSA-N	-2	0	335.205	-0.366	20	0		EBADRL
CNC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229317024	812026338	/nfs/dbraw/zinc/02/63/38/812026338.db2.gz	CXAWYKKDHCWCAB-KCJUWKMLSA-N	-2	0	325.273	-0.512	20	0		EBADRL
COc1cnc(SC)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230034362	812069438	/nfs/dbraw/zinc/06/94/38/812069438.db2.gz	HKTYMZMNWAYUMI-XNCJUZBTSA-N	-2	0	346.317	-0.351	20	0		EBADRL
C[C@H](O)C(=O)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230147663	812080907	/nfs/dbraw/zinc/08/09/07/812080907.db2.gz	ZKEUCVRETQKMQG-BYPYZUCNSA-N	-2	0	342.303	-0.828	20	0		EBADRL
CC(=O)N1CCc2c1cccc2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001230484381	812169877	/nfs/dbraw/zinc/16/98/77/812169877.db2.gz	FPEUUSAZBOQKNS-LLVKDONJSA-N	-2	0	345.244	-0.029	20	0		EBADRL
O=C(Oc1ccc(-c2nn[nH]n2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001231077358	812271324	/nfs/dbraw/zinc/27/13/24/812271324.db2.gz	SPKLVSBEZYQYNO-MRVPVSSYSA-N	-2	0	330.193	-0.758	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-c2nn[nH]n2)cc1)[C@H](O)C(=O)[O-]	ZINC001231076935	812271428	/nfs/dbraw/zinc/27/14/28/812271428.db2.gz	OSKQPJGVKJCFSV-WPRPVWTQSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c2cc(=O)ccc1-2)[C@@H](O)C(=O)[O-]	ZINC001231116358	812274614	/nfs/dbraw/zinc/27/46/14/812274614.db2.gz	MZLYLXZVNWSJDF-LDYMZIIASA-N	-2	0	336.256	-0.223	20	0		EBADRL
CCOc1cc(Cl)nnc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233687533	812329068	/nfs/dbraw/zinc/32/90/68/812329068.db2.gz	YWBBAQMAYAESMG-RXMQYKEDSA-N	-2	0	342.628	-0.096	20	0		EBADRL
COC(=O)C(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001234444306	812426525	/nfs/dbraw/zinc/42/65/25/812426525.db2.gz	MSNHQBBKJLXXEP-SECBINFHSA-N	-2	0	348.200	-0.582	20	0		EBADRL
CS(=O)(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001234544112	812438233	/nfs/dbraw/zinc/43/82/33/812438233.db2.gz	NRRAGRCDLYTUMH-ONGXEEELSA-N	-2	0	346.313	-0.468	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc1O	ZINC001260401281	812831397	/nfs/dbraw/zinc/83/13/97/812831397.db2.gz	GNXZUDQNNKRIPJ-UHFFFAOYSA-N	-3	0	341.234	-0.522	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@@H]1[C@@H](O)CCN1Cc1ccccc1	ZINC001143675664	830155629	/nfs/dbraw/zinc/15/56/29/830155629.db2.gz	JPWWBYFWOABQSZ-STQMWFEESA-N	-2	0	344.304	-0.153	20	0		EBADRL
O=P([O-])([O-])OCCNc1nc(N2CCOCC2)nc2c1CCN2	ZINC001157787282	831593114	/nfs/dbraw/zinc/59/31/14/831593114.db2.gz	GYHZAPHBPUTMOC-UHFFFAOYSA-N	-2	0	345.296	-0.198	20	0		EBADRL
CS(=O)(=O)CCn1cc(NCCOP(=O)([O-])[O-])ccc1=O	ZINC001168592492	832427756	/nfs/dbraw/zinc/42/77/56/832427756.db2.gz	RVTMJLCTDZHVSF-UHFFFAOYSA-N	-2	0	340.294	-0.586	20	0		EBADRL
CNS(=O)(=O)c1ccc(C(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001188121146	834008625	/nfs/dbraw/zinc/00/86/25/834008625.db2.gz	FVRUIWZVIUJAPE-UHFFFAOYSA-N	-2	0	338.278	-0.566	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2cc(F)c([O-])cc2F)C(=O)N1S(=O)(=O)[O-]	ZINC001192877538	834750403	/nfs/dbraw/zinc/75/04/03/834750403.db2.gz	SIKPSMQQPRLCML-IGJIYHIXSA-N	-2	0	336.272	-0.198	20	0		EBADRL
Cn1c(=O)c2ccc(C(=O)NCc3nc(=O)o[n-]3)cc2[n-]c1=S	ZINC001320120214	838234794	/nfs/dbraw/zinc/23/47/94/838234794.db2.gz	NEBCLPIIFBOZMF-UHFFFAOYSA-N	-2	0	333.329	-0.172	20	0		EBADRL
CO[C@@](C)(C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001327946543	840555288	/nfs/dbraw/zinc/55/52/88/840555288.db2.gz	SIUXXYPGJZWCFH-BJOHPYRUSA-N	-2	0	342.348	-0.600	20	0		EBADRL
O=C([O-])[C@H]1CC(C(=O)NCc2nc(=O)o[n-]2)=NN1c1ccccc1	ZINC001611344560	971002099	/nfs/dbraw/zinc/00/20/99/971002099.db2.gz	SBUYNPGAHCZWFN-SNVBAGLBSA-N	-2	0	331.288	-0.301	20	0		EBADRL
CC(=O)NCCN(C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001573528421	946662638	/nfs/dbraw/zinc/66/26/38/946662638.db2.gz	BPPZPDGECQEMFC-UHFFFAOYSA-N	-2	0	331.340	-0.817	20	0		EBADRL
O=c1cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)nc2c(-c3nnn[n-]3)c[n-]n21	ZINC001570946094	949519753	/nfs/dbraw/zinc/51/97/53/949519753.db2.gz	JKEJSVWITXDQJW-WPOCWEFISA-N	-2	0	346.376	-0.680	20	0		EBADRL
CC(C)n1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)n1	ZINC001574473227	949562293	/nfs/dbraw/zinc/56/22/93/949562293.db2.gz	YSPARYYROURIKI-UHFFFAOYSA-N	-2	0	325.314	-0.172	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2ccc(F)cn2)cn1	ZINC001595267026	949760134	/nfs/dbraw/zinc/76/01/34/949760134.db2.gz	YUQRDVPQMKSJRI-UHFFFAOYSA-N	-2	0	326.265	-0.172	20	0		EBADRL
O=C([O-])[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001595286227	950032787	/nfs/dbraw/zinc/03/27/87/950032787.db2.gz	VSHBVQNGIZVXBB-GWCFXTLKSA-N	-2	0	344.327	-0.595	20	0		EBADRL
O=C([O-])CC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCOCC1	ZINC001594973366	950890348	/nfs/dbraw/zinc/89/03/48/950890348.db2.gz	ZZVGWALGNWICFI-VIFPVBQESA-N	-2	0	325.325	-0.629	20	0		EBADRL
O=C([O-])Cn1cccc(C(=O)NCc2nnc([O-])n2C2CC2)c1=O	ZINC001595156332	952169469	/nfs/dbraw/zinc/16/94/69/952169469.db2.gz	JSQYIEQHOMYYII-UHFFFAOYSA-N	-2	0	333.304	-0.505	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCCC(=O)[O-]	ZINC001593688933	954011850	/nfs/dbraw/zinc/01/18/50/954011850.db2.gz	CCOINIVXGRCQFV-UHFFFAOYSA-N	-2	0	343.361	-0.157	20	0		EBADRL
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c([O-])c(F)c1	ZINC001594960022	955006042	/nfs/dbraw/zinc/00/60/42/955006042.db2.gz	MRGIKJJCIXSFGX-VIFPVBQESA-N	-2	0	335.284	-0.006	20	0		EBADRL
Cn1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)n1	ZINC001594546750	955690259	/nfs/dbraw/zinc/69/02/59/955690259.db2.gz	YETDGYOTSFHIJZ-UHFFFAOYSA-N	-2	0	334.697	-0.122	20	0		EBADRL
Cn1cnnc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594559213	955792977	/nfs/dbraw/zinc/79/29/77/955792977.db2.gz	ATDUPJQUONZFSZ-IONNQARKSA-N	-2	0	335.286	-0.089	20	0		EBADRL
C[C@](O)(CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-]	ZINC001589140380	956264094	/nfs/dbraw/zinc/26/40/94/956264094.db2.gz	JVVMUPRIWCLUJJ-AWEZNQCLSA-N	-2	0	337.357	-0.363	20	0		EBADRL
O=C([O-])C1(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCOCC1	ZINC001594714429	956909556	/nfs/dbraw/zinc/90/95/56/956909556.db2.gz	GRKLJBXFZHCDFM-UHFFFAOYSA-N	-2	0	335.320	-0.931	20	0		EBADRL
Cc1cc(C(=O)[O-])cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1	ZINC001594286189	957781365	/nfs/dbraw/zinc/78/13/65/957781365.db2.gz	NJMUCVVDUSHILU-UHFFFAOYSA-N	-2	0	328.346	-0.111	20	0		EBADRL
O=C([O-])c1ccccc1CC(=O)N1CCC(O)(c2nnn[n-]2)CC1	ZINC001574810974	957876830	/nfs/dbraw/zinc/87/68/30/957876830.db2.gz	RJTRNLGMMDMYLN-UHFFFAOYSA-N	-2	0	331.332	-0.049	20	0		EBADRL
CC(C)CN(Cc1nnn[n-]1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001573523322	959135093	/nfs/dbraw/zinc/13/50/93/959135093.db2.gz	YEJLALYVTQRIGB-JTQLQIEISA-N	-2	0	338.368	-0.493	20	0		EBADRL
Cn1ncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC001574467889	961595507	/nfs/dbraw/zinc/59/55/07/961595507.db2.gz	XARNHRIBECFOSL-SVRRBLITSA-N	-2	0	349.269	-0.449	20	0		EBADRL
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1=O	ZINC001604203280	972666063	/nfs/dbraw/zinc/66/60/63/972666063.db2.gz	QVNDTYIMCFCBSB-LURJTMIESA-N	-2	0	331.306	-0.954	20	0		EBADRL
Cc1n[nH]nc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001605394389	973370468	/nfs/dbraw/zinc/37/04/68/973370468.db2.gz	JSSZCHPNPXUHDT-SVRRBLITSA-N	-2	0	349.269	-0.151	20	0		EBADRL
Cc1n[nH]nc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001605394390	973370590	/nfs/dbraw/zinc/37/05/90/973370590.db2.gz	JSSZCHPNPXUHDT-XPUUQOCRSA-N	-2	0	349.269	-0.151	20	0		EBADRL
CC(C)[C@H](NC=O)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC001591892961	976260958	/nfs/dbraw/zinc/26/09/58/976260958.db2.gz	HJBZLYROWJRWLL-NSHDSACASA-N	-2	0	343.361	-0.072	20	0		EBADRL
C[C@H](CS(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)[O-])CC2=O)C1)C(=O)[O-]	ZINC001592798236	979445548	/nfs/dbraw/zinc/44/55/48/979445548.db2.gz	MWSSDHPSPCMVJI-KXUCPTDWSA-N	-2	0	348.377	-0.956	20	0		EBADRL
C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1ccccc1F	ZINC001574643194	983265142	/nfs/dbraw/zinc/26/51/42/983265142.db2.gz	WCRGCIQNGZBSJT-FHZGZLOMSA-N	-2	0	340.354	-0.438	20	0		EBADRL
CCN1CCO[C@H](C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1	ZINC001596442578	984138103	/nfs/dbraw/zinc/13/81/03/984138103.db2.gz	NGGWYNAQOYVPEE-SLMGRZLQSA-N	-2	0	340.376	-0.269	20	0		EBADRL
CCN1CCO[C@H](C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1	ZINC001596442576	984138301	/nfs/dbraw/zinc/13/83/01/984138301.db2.gz	NGGWYNAQOYVPEE-QNGPIJNLSA-N	-2	0	340.376	-0.269	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@@H](C(=O)[O-])O1	ZINC001599908677	984956579	/nfs/dbraw/zinc/95/65/79/984956579.db2.gz	BZMRQVPNWQAHKZ-UWVGGRQHSA-N	-2	0	342.348	-0.600	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)nc1	ZINC001596726327	984982801	/nfs/dbraw/zinc/98/28/01/984982801.db2.gz	MVCSCQVNVQGTQK-UHFFFAOYSA-N	-2	0	342.329	-0.072	20	0		EBADRL
C[C@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C[C@@H](C(=O)[O-])O1	ZINC001599924975	985187514	/nfs/dbraw/zinc/18/75/14/985187514.db2.gz	XCPQSBUZJAYGNF-WPRPVWTQSA-N	-2	0	343.361	-0.233	20	0		EBADRL
CC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001589105518	985332199	/nfs/dbraw/zinc/33/21/99/985332199.db2.gz	LQOKRWSQMFBGAZ-QMMMGPOBSA-N	-2	0	328.346	-0.145	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)NCc1cc(C(=O)[O-])c(C)o1	ZINC001596969407	986192002	/nfs/dbraw/zinc/19/20/02/986192002.db2.gz	ZWKDWJLOFVMHRM-UHFFFAOYSA-N	-2	0	327.293	-0.914	20	0		EBADRL
CCO[N-]C(=O)CNS(=O)(=O)c1ccc(OC)cc1C(=O)[O-]	ZINC001596969332	986192384	/nfs/dbraw/zinc/19/23/84/986192384.db2.gz	YTCZJBCUKYWQDH-UHFFFAOYSA-N	-2	0	332.334	-0.261	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1noc2c1COCC2	ZINC001589455048	986890217	/nfs/dbraw/zinc/89/02/17/986890217.db2.gz	UVSMDHXEVPDOMP-RQJHMYQMSA-N	-2	0	332.334	-0.084	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1	ZINC001589490342	987054187	/nfs/dbraw/zinc/05/41/87/987054187.db2.gz	ALEXLZDOLIDIJT-ZETCQYMHSA-N	-2	0	325.306	-0.805	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(Cn2cncn2)c1	ZINC001589490657	987055179	/nfs/dbraw/zinc/05/51/79/987055179.db2.gz	CXQUUKSOHRRTHU-SECBINFHSA-N	-2	0	338.345	-0.141	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC001589493589	987068823	/nfs/dbraw/zinc/06/88/23/987068823.db2.gz	DHSZLHLGHIWURY-NGJCXOISSA-N	-2	0	346.283	-0.637	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21	ZINC001589493993	987070047	/nfs/dbraw/zinc/07/00/47/987070047.db2.gz	GSAGBWFCKPEJAN-UTINFBMNSA-N	-2	0	332.378	-0.400	20	0		EBADRL
CCC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-]	ZINC001594696688	987123835	/nfs/dbraw/zinc/12/38/35/987123835.db2.gz	WUGNMPMPBVMTNO-JTQLQIEISA-N	-2	0	330.318	-0.120	20	0		EBADRL
CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@@]1(C(=O)[O-])CCOC1	ZINC001597245658	987224703	/nfs/dbraw/zinc/22/47/03/987224703.db2.gz	KUAJTIKKKSDUBJ-JTQLQIEISA-N	-2	0	328.412	-0.180	20	0		EBADRL
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1	ZINC001597246701	987229150	/nfs/dbraw/zinc/22/91/50/987229150.db2.gz	XTBOLSSEZXIRRJ-SNVBAGLBSA-N	-2	0	328.412	-0.038	20	0		EBADRL
CC[C@@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC001597285416	987360204	/nfs/dbraw/zinc/36/02/04/987360204.db2.gz	MXHUCEGTJHVWGF-MRVPVSSYSA-N	-2	0	326.309	-0.379	20	0		EBADRL
C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)N(C)CCC(=O)[O-])C(=O)[O-]	ZINC001599847488	988957529	/nfs/dbraw/zinc/95/75/29/988957529.db2.gz	VFVBMVUXUYYHCD-SCZZXKLOSA-N	-2	0	340.398	-0.116	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)N2CCSC[C@@H]2c2nnn[n-]2)O[C@H]1C(=O)[O-]	ZINC001599873804	989391284	/nfs/dbraw/zinc/39/12/84/989391284.db2.gz	INSXBLNVYBQDIQ-FNCVBFRFSA-N	-2	0	327.366	-0.306	20	0		EBADRL
CCn1[n-]nnc1=NC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001597982306	990050593	/nfs/dbraw/zinc/05/05/93/990050593.db2.gz	MFOFSQKPUVWQSY-CQSZACIVSA-N	-2	0	338.368	-0.271	20	0		EBADRL
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1nc(CC(=O)[O-])cs1	ZINC001598040335	990269026	/nfs/dbraw/zinc/26/90/26/990269026.db2.gz	MLYYSYVPEFZABG-UHFFFAOYSA-N	-2	0	348.344	-0.182	20	0		EBADRL
CC(C)(CCNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(=O)[O-]	ZINC001590670760	990375206	/nfs/dbraw/zinc/37/52/06/990375206.db2.gz	GPKUWPKNVIWXFE-VIFPVBQESA-N	-2	0	330.337	-0.694	20	0		EBADRL
CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)S(C)(=O)=O	ZINC001590689468	990404917	/nfs/dbraw/zinc/40/49/17/990404917.db2.gz	KQCOBTUWAAVFIJ-UHFFFAOYSA-N	-2	0	340.379	-0.136	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001590798312	990620741	/nfs/dbraw/zinc/62/07/41/990620741.db2.gz	RIUNOLHFWNQPON-QMMMGPOBSA-N	-2	0	341.407	-0.632	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1	ZINC001599683323	990947125	/nfs/dbraw/zinc/94/71/25/990947125.db2.gz	LTKVDJQBAYHUBC-ZEDNOMKYSA-N	-3	0	349.386	-0.278	20	0		EBADRL
CS(=O)(=O)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599747133	991943399	/nfs/dbraw/zinc/94/33/99/991943399.db2.gz	FTXCPFHVVLMHLQ-UHFFFAOYSA-N	-2	0	335.359	-0.625	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(CC(=O)[O-])c1	ZINC001599757177	992069334	/nfs/dbraw/zinc/06/93/34/992069334.db2.gz	ISWODJWNIXXXET-UHFFFAOYSA-N	-2	0	328.346	-0.491	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)cn1	ZINC001599760854	992120127	/nfs/dbraw/zinc/12/01/27/992120127.db2.gz	PUKWKQYCOKMNGE-GFCCVEGCSA-N	-2	0	329.334	-0.573	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)cn1	ZINC001599761305	992125237	/nfs/dbraw/zinc/12/52/37/992125237.db2.gz	VNANRHYQKOGWSF-CYBMUJFWSA-N	-2	0	343.361	-0.326	20	0		EBADRL
C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-]	ZINC001593176342	994055296	/nfs/dbraw/zinc/05/52/96/994055296.db2.gz	TZFTUOHBEBCVLW-RKDXNWHRSA-N	-2	0	328.346	-0.276	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-]	ZINC001598692076	995081073	/nfs/dbraw/zinc/08/10/73/995081073.db2.gz	NQSHPKIRKZSMPT-MRVPVSSYSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)C(=O)[O-]	ZINC001599177385	996875348	/nfs/dbraw/zinc/87/53/48/996875348.db2.gz	LADIEPPVTRIPEC-QMMMGPOBSA-N	-2	0	333.318	-0.229	20	0		EBADRL
COC[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-]	ZINC001599178584	996901308	/nfs/dbraw/zinc/90/13/08/996901308.db2.gz	WUFVBHRAPHOIBQ-RXMQYKEDSA-N	-2	0	338.725	-0.189	20	0		EBADRL
COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H](CO)C(=O)[O-]	ZINC001599385757	996941888	/nfs/dbraw/zinc/94/18/88/996941888.db2.gz	VVLKZQCVWGTVPL-SCSAIBSYSA-N	-2	0	325.320	-0.821	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]N1CC(=O)N(C)C1=O	ZINC001599503133	997161899	/nfs/dbraw/zinc/16/18/99/997161899.db2.gz	YZOFUMMYLWUELG-UHFFFAOYSA-N	-2	0	343.317	-0.519	20	0		EBADRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N(C)CC(=O)[O-])c1	ZINC001598920578	997554730	/nfs/dbraw/zinc/55/47/30/997554730.db2.gz	AEEQAKXQPLCMLN-UHFFFAOYSA-N	-2	0	331.302	-0.124	20	0		EBADRL
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001599232608	997888668	/nfs/dbraw/zinc/88/86/68/997888668.db2.gz	OSSAIYQHMSXZMK-MRVPVSSYSA-N	-2	0	332.334	-0.110	20	0		EBADRL
COCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC001599252571	998257846	/nfs/dbraw/zinc/25/78/46/998257846.db2.gz	PQBMETUQNIKVBG-UHFFFAOYSA-N	-2	0	339.304	-0.866	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC001599165093	998528139	/nfs/dbraw/zinc/52/81/39/998528139.db2.gz	CTOMXYDVTGKMPT-ZJUUUORDSA-N	-2	0	337.394	-0.015	20	0		EBADRL
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001594209048	998808499	/nfs/dbraw/zinc/80/84/99/998808499.db2.gz	BNGUGRHBTXJBEB-FCHSOHFDSA-N	-2	0	326.349	-0.121	20	0		EBADRL
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001594209644	998811906	/nfs/dbraw/zinc/81/19/06/998811906.db2.gz	FXKQRCAYEBICEP-YTWAJWBKSA-N	-2	0	342.348	-0.744	20	0		EBADRL
[NH3+][C@@H](CSSC[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-])C(=O)[O-]	ZINC000001737856	1131391016	/nfs/dbraw/zinc/39/10/16/1131391016.db2.gz	NMOJCHKNRDYDHV-IMJSIDKUSA-N	-2	0	336.313	-0.089	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000372311031	304073713	/nfs/dbraw/zinc/07/37/13/304073713.db2.gz	XKJXFKYXZGZVII-QMMMGPOBSA-N	-2	0	331.350	-0.327	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000317442402	377217894	/nfs/dbraw/zinc/21/78/94/377217894.db2.gz	LZWVXUSKWQOPKR-RKDXNWHRSA-N	-2	0	337.350	-0.623	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274868357	379718791	/nfs/dbraw/zinc/71/87/91/379718791.db2.gz	ABIBENPTDFHGNU-ZETCQYMHSA-N	-2	0	335.290	-0.419	20	0		EBADRL
COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274914676	379722345	/nfs/dbraw/zinc/72/23/45/379722345.db2.gz	LKKBMPCTLOSHKQ-JTQLQIEISA-N	-2	0	345.329	-0.180	20	0		EBADRL
Cc1nn(C)c2ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000274941713	379725267	/nfs/dbraw/zinc/72/52/67/379725267.db2.gz	RCRMPRKTSHGMDX-SECBINFHSA-N	-2	0	342.333	-0.517	20	0		EBADRL
NC(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275036944	379732342	/nfs/dbraw/zinc/73/23/42/379732342.db2.gz	UYTWZWZRGRHTLB-MRVPVSSYSA-N	-2	0	330.318	-0.761	20	0		EBADRL
C[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275079198	379736382	/nfs/dbraw/zinc/73/63/82/379736382.db2.gz	YJWUXLQZRGLRFS-LURJTMIESA-N	-2	0	342.333	-0.032	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])C[C@H](C)O1	ZINC000547935387	380172728	/nfs/dbraw/zinc/17/27/28/380172728.db2.gz	BYNWLVKNDMKYEF-SBMIAAHKSA-N	-2	0	338.382	-0.504	20	0		EBADRL
COC(=O)Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548202934	380188291	/nfs/dbraw/zinc/18/82/91/380188291.db2.gz	DAMPONMLHOTCJG-SNVBAGLBSA-N	-2	0	345.329	-0.392	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000547609490	380150597	/nfs/dbraw/zinc/15/05/97/380150597.db2.gz	KVCMWCQYXVWUQN-GFCCVEGCSA-N	-2	0	348.333	-0.355	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000548589133	380218228	/nfs/dbraw/zinc/21/82/28/380218228.db2.gz	DATYDYULSSZTOB-LBPRGKRZSA-N	-2	0	331.350	-0.184	20	0		EBADRL
Cc1cnn(C)c1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000551914370	380276389	/nfs/dbraw/zinc/27/63/89/380276389.db2.gz	VLCWAFBRHIJEBU-GFCCVEGCSA-N	-2	0	331.350	-0.331	20	0		EBADRL
Cn1ncc(Cl)c1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000566655651	380483480	/nfs/dbraw/zinc/48/34/80/380483480.db2.gz	DTIHWITXJVVLRT-SNVBAGLBSA-N	-2	0	339.757	-0.083	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275102496	380569393	/nfs/dbraw/zinc/56/93/93/380569393.db2.gz	LSKZDQQCAVCHFF-NXEZZACHSA-N	-2	0	345.377	-0.167	20	0		EBADRL
C[C@@H]1CCCc2nc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000581418116	381073424	/nfs/dbraw/zinc/07/34/24/381073424.db2.gz	WLGHGBKOTIMFRV-SFYZADRCSA-N	-2	0	331.350	-0.013	20	0		EBADRL
CCOC1(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])CCOCC1	ZINC000629297992	382104921	/nfs/dbraw/zinc/10/49/21/382104921.db2.gz	NMMCLMMMJOTUOC-UHFFFAOYSA-N	-2	0	339.366	-0.627	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1	ZINC000274988133	292016380	/nfs/dbraw/zinc/01/63/80/292016380.db2.gz	YTZWXNYERNJDSH-VIFPVBQESA-N	-2	0	345.329	-0.012	20	0		EBADRL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC000262527415	154234610	/nfs/dbraw/zinc/23/46/10/154234610.db2.gz	OXCKEJCSZFREFL-ZDUSSCGKSA-N	-2	0	330.362	-0.068	20	0		EBADRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1	ZINC000263943106	154269477	/nfs/dbraw/zinc/26/94/77/154269477.db2.gz	WCZWNKSYRGWIPD-UHFFFAOYSA-N	-2	0	342.333	-0.106	20	0		EBADRL
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000264537386	154284570	/nfs/dbraw/zinc/28/45/70/154284570.db2.gz	ZKJRDKGNCAJZHW-WKEGUHRASA-N	-2	0	342.329	-0.052	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])o1	ZINC000275012530	154633538	/nfs/dbraw/zinc/63/35/38/154633538.db2.gz	CACSFUVFHGAVIL-LURJTMIESA-N	-2	0	335.290	-0.338	20	0		EBADRL
O=C(CSc1n[nH]c(=O)[n-]1)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000356978175	157110544	/nfs/dbraw/zinc/11/05/44/157110544.db2.gz	KXFPOWHPYYZLGO-UHFFFAOYSA-N	-2	0	334.321	-0.078	20	0		EBADRL
COc1ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1Cl	ZINC000650387898	419011979	/nfs/dbraw/zinc/01/19/79/419011979.db2.gz	GOSHHOOJEDGQAO-ZETCQYMHSA-N	-2	0	338.725	-0.050	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274944139	289033544	/nfs/dbraw/zinc/03/35/44/289033544.db2.gz	RLVPEQZLVYOKAG-JTQLQIEISA-N	-2	0	344.345	-0.405	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275036789	302783008	/nfs/dbraw/zinc/78/30/08/302783008.db2.gz	UVBZLCAVSIMPDK-LURJTMIESA-N	-2	0	339.757	-0.164	20	0		EBADRL
CC(CNC(=O)N=c1[n-]ncs1)CNC(=O)N=c1[n-]ncs1	ZINC000454278983	545889493	/nfs/dbraw/zinc/88/94/93/545889493.db2.gz	YDOBTBRRMQESJN-UHFFFAOYSA-N	-2	0	342.410	-0.187	20	0		EBADRL
C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000650417618	568587049	/nfs/dbraw/zinc/58/70/49/568587049.db2.gz	QBYQQKBVZLSZAL-PELKAZGASA-N	-2	0	336.366	-0.956	20	0		EBADRL
CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736848212	582961763	/nfs/dbraw/zinc/96/17/63/582961763.db2.gz	QFFGIDGTQUQAIU-QMMMGPOBSA-N	-2	0	335.382	-0.941	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000737362419	583005852	/nfs/dbraw/zinc/00/58/52/583005852.db2.gz	XCXPFNFMZYPKOV-GHMZBOCLSA-N	-2	0	340.357	-0.086	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000759533314	583214541	/nfs/dbraw/zinc/21/45/41/583214541.db2.gz	YEKYLWOOJFOFEQ-UHFFFAOYSA-N	-2	0	347.315	-0.863	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000759612981	583215444	/nfs/dbraw/zinc/21/54/44/583215444.db2.gz	IXUHVWMVCRCCHN-ZETCQYMHSA-N	-2	0	346.327	-0.074	20	0		EBADRL
C[C@@H](CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000776587738	583406736	/nfs/dbraw/zinc/40/67/36/583406736.db2.gz	MRIYVQKZFCYWJP-LURJTMIESA-N	-2	0	342.333	-0.175	20	0		EBADRL
O=C(CCn1c(=S)[n-]c2ccccc2c1=O)Nn1c(=O)[n-][nH]c1=O	ZINC000816731334	583720352	/nfs/dbraw/zinc/72/03/52/583720352.db2.gz	NBIHFFOYJFVACD-UHFFFAOYSA-N	-2	0	348.344	-0.152	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820894417	583782659	/nfs/dbraw/zinc/78/26/59/583782659.db2.gz	QHSPDEWXJKPUIL-UHFFFAOYSA-N	-2	0	348.308	-0.445	20	0		EBADRL
O=C([N-]S(=O)(=O)CC(F)(F)F)c1ccc(-c2nn[nH]n2)nc1	ZINC000823284416	583827619	/nfs/dbraw/zinc/82/76/19/583827619.db2.gz	GVUHTWKUEBMKRV-UHFFFAOYSA-N	-2	0	336.255	-0.116	20	0		EBADRL
C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1	ZINC000823701220	583835787	/nfs/dbraw/zinc/83/57/87/583835787.db2.gz	BHHQLSDNZLQWRY-PSASIEDQSA-N	-2	0	330.366	-0.278	20	0		EBADRL
C[C@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000825220138	583856598	/nfs/dbraw/zinc/85/65/98/583856598.db2.gz	RKENDILWCHOVDY-VHSXEESVSA-N	-2	0	348.363	-0.034	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000827304601	583918723	/nfs/dbraw/zinc/91/87/23/583918723.db2.gz	YHHUGGGGVKLYSA-MRVPVSSYSA-N	-2	0	339.333	-0.422	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CCC(C)(C)NC(=O)[O-]	ZINC000828963938	583949210	/nfs/dbraw/zinc/94/92/10/583949210.db2.gz	HYAMXENLPHKASV-UHFFFAOYSA-N	-2	0	325.387	-0.248	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])n[n-]1	ZINC000829701232	583957426	/nfs/dbraw/zinc/95/74/26/583957426.db2.gz	YSDJFRAFFKFXHQ-ZETCQYMHSA-N	-2	0	347.353	-0.694	20	0		EBADRL
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000829790015	583958589	/nfs/dbraw/zinc/95/85/89/583958589.db2.gz	ADDNLWIUIMGCAJ-UHFFFAOYSA-N	-2	0	349.409	-0.550	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)cc1C(N)=O	ZINC000830413931	583966886	/nfs/dbraw/zinc/96/68/86/583966886.db2.gz	DIVSBYSRYCOGBA-UHFFFAOYSA-N	-2	0	341.345	-0.301	20	0		EBADRL
CN(C)C(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1	ZINC000830557263	583968053	/nfs/dbraw/zinc/96/80/53/583968053.db2.gz	SIEYVKJPWMQGOM-UHFFFAOYSA-N	-2	0	343.321	-0.542	20	0		EBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1	ZINC000831001053	583974070	/nfs/dbraw/zinc/97/40/70/583974070.db2.gz	TVHFGELVWCOLRI-UHFFFAOYSA-N	-2	0	339.333	-0.477	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CSCCN2C(=O)[O-])cn1	ZINC000831014399	583974502	/nfs/dbraw/zinc/97/45/02/583974502.db2.gz	UCQOFXKZCFXRED-QMMMGPOBSA-N	-2	0	348.406	-0.290	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cn1	ZINC000831192356	583978945	/nfs/dbraw/zinc/97/89/45/583978945.db2.gz	HVMMLKWRLCIYNH-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000831403552	583982451	/nfs/dbraw/zinc/98/24/51/583982451.db2.gz	YIRYUDBRJIEXPD-BDAKNGLRSA-N	-2	0	342.381	-0.415	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)o1	ZINC000831444853	583982910	/nfs/dbraw/zinc/98/29/10/583982910.db2.gz	SMWBKUJDRKWQFC-UHFFFAOYSA-N	-2	0	330.278	-0.457	20	0		EBADRL
COC[C@](C)(NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C(=O)[O-]	ZINC000831613465	583988276	/nfs/dbraw/zinc/98/82/76/583988276.db2.gz	WGRSAMBEKNVWKP-AWEZNQCLSA-N	-2	0	336.304	-0.036	20	0		EBADRL
COCCn1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000831807760	583992084	/nfs/dbraw/zinc/99/20/84/583992084.db2.gz	VXUNPONDVNNDFB-UHFFFAOYSA-N	-2	0	329.338	-0.389	20	0		EBADRL
O=C([O-])N1CCC[C@@H](OCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1	ZINC000831998765	583994287	/nfs/dbraw/zinc/99/42/87/583994287.db2.gz	WBBGDDJNRAKJKS-ZJUUUORDSA-N	-2	0	340.340	-0.741	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1C(N)=O	ZINC000832956691	584002635	/nfs/dbraw/zinc/00/26/35/584002635.db2.gz	SWYMEJGSHVDUHJ-UHFFFAOYSA-N	-2	0	339.333	-0.429	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CC1CCN(C(=O)[O-])CC1	ZINC000833883129	584018772	/nfs/dbraw/zinc/01/87/72/584018772.db2.gz	FWABKNSPVURBCJ-UHFFFAOYSA-N	-2	0	337.398	-0.294	20	0		EBADRL
O=C(CCOC1CN(C(=O)[O-])C1)[N-]S(=O)(=O)c1cnccn1	ZINC000833993983	584023404	/nfs/dbraw/zinc/02/34/04/584023404.db2.gz	XFXBHCFILIBCDX-UHFFFAOYSA-N	-2	0	330.322	-0.950	20	0		EBADRL
O=C([O-])c1cn(C2CN(C(=O)[C@H]3CSCN3C(=O)[O-])C2)nn1	ZINC000834283534	584030489	/nfs/dbraw/zinc/03/04/89/584030489.db2.gz	QIEILXAHDHMSKM-MRVPVSSYSA-N	-2	0	327.322	-0.588	20	0		EBADRL
O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000834290963	584030945	/nfs/dbraw/zinc/03/09/45/584030945.db2.gz	VAXWDIMLFVDXHH-IUCAKERBSA-N	-2	0	342.377	-0.766	20	0		EBADRL
O=C(CS(=O)(=O)CC(=O)[N-]OCC(F)F)[N-]OCC(F)F	ZINC000847734091	584145994	/nfs/dbraw/zinc/14/59/94/584145994.db2.gz	CUDVHQVMONMVNS-UHFFFAOYSA-N	-2	0	340.251	-0.973	20	0		EBADRL
CCNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233065	584167125	/nfs/dbraw/zinc/16/71/25/584167125.db2.gz	WGDHZMZPUDWRIN-RQJHMYQMSA-N	-2	0	347.315	-0.563	20	0		EBADRL
Cn1nncc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851700568	584200591	/nfs/dbraw/zinc/20/05/91/584200591.db2.gz	CAFASJPXBFYZQP-HTRCEHHLSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000013027357	584310807	/nfs/dbraw/zinc/31/08/07/584310807.db2.gz	UOMLVWNYQDEOPO-VIFPVBQESA-N	-3	0	331.302	-0.019	20	0		EBADRL
COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863952114	584380655	/nfs/dbraw/zinc/38/06/55/584380655.db2.gz	KGJVJGYJBQEKAE-UHFFFAOYSA-N	-2	0	333.318	-0.390	20	0		EBADRL
COCc1cccc(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863961319	584381752	/nfs/dbraw/zinc/38/17/52/584381752.db2.gz	LORLSPJUJJTXQP-UHFFFAOYSA-N	-2	0	331.346	-0.120	20	0		EBADRL
CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000863962566	584381861	/nfs/dbraw/zinc/38/18/61/584381861.db2.gz	PDXXQYNLDIZHTI-CYBMUJFWSA-N	-2	0	343.361	-0.029	20	0		EBADRL
CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000863962567	584381869	/nfs/dbraw/zinc/38/18/69/584381869.db2.gz	PDXXQYNLDIZHTI-ZDUSSCGKSA-N	-2	0	343.361	-0.029	20	0		EBADRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CC1	ZINC000863963779	584381889	/nfs/dbraw/zinc/38/18/89/584381889.db2.gz	GWDZVKBKYXOQBN-ONGXEEELSA-N	-2	0	343.361	-0.240	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CCC1	ZINC000863964399	584382142	/nfs/dbraw/zinc/38/21/42/584382142.db2.gz	UEBUDPFJRXVMOR-VIFPVBQESA-N	-2	0	343.361	-0.096	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c(C)o1	ZINC000863966068	584382377	/nfs/dbraw/zinc/38/23/77/584382377.db2.gz	RHUILYGEJCYLSU-UHFFFAOYSA-N	-2	0	335.290	-0.719	20	0		EBADRL
O=C([N-]OC[C@@H]1CCOC1)C(F)(F)C(=O)[N-]OC[C@H]1CCOC1	ZINC000865980761	584397627	/nfs/dbraw/zinc/39/76/27/584397627.db2.gz	YHLZJTOEJHIBJO-AOOOYVTPSA-N	-2	0	338.307	-0.210	20	0		EBADRL
O=C([N-]OC[C@@H]1CCOC1)C(F)(F)C(=O)[N-]OC[C@@H]1CCOC1	ZINC000865980762	584397629	/nfs/dbraw/zinc/39/76/29/584397629.db2.gz	YHLZJTOEJHIBJO-NXEZZACHSA-N	-2	0	338.307	-0.210	20	0		EBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739169709	599729146	/nfs/dbraw/zinc/72/91/46/599729146.db2.gz	KVRWXYGPSOXVBQ-UWVGGRQHSA-N	-2	0	341.345	-0.620	20	0		EBADRL
Cn1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1=O	ZINC000739040199	600242281	/nfs/dbraw/zinc/24/22/81/600242281.db2.gz	SZPFJSOCOFSAHV-UHFFFAOYSA-N	-2	0	343.361	-0.844	20	0		EBADRL
O=C([O-])COc1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1	ZINC000739823565	600261368	/nfs/dbraw/zinc/26/13/68/600261368.db2.gz	BCKCFSZZLLNRRS-LLVKDONJSA-N	-2	0	333.304	-0.123	20	0		EBADRL
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740316008	600377309	/nfs/dbraw/zinc/37/73/09/600377309.db2.gz	KYOFZXWPXZQSMW-GHMZBOCLSA-N	-2	0	338.341	-0.502	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1sccc1-n1cnnn1	ZINC000739696431	600466494	/nfs/dbraw/zinc/46/64/94/600466494.db2.gz	ZYNKAQTXOKACER-UHFFFAOYSA-N	-2	0	345.362	-0.352	20	0		EBADRL
O=C([O-])CCN(C[C@H]1CCCO1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739715521	600490996	/nfs/dbraw/zinc/49/09/96/600490996.db2.gz	HMNUJABXZWIBMY-SNVBAGLBSA-N	-2	0	349.347	-0.447	20	0		EBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])CC1	ZINC000831114568	602186182	/nfs/dbraw/zinc/18/61/82/602186182.db2.gz	OUIQIEZRAFJNTJ-QMMMGPOBSA-N	-2	0	336.366	-0.657	20	0		EBADRL
O=C([O-])N1CCCC[C@@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740386403	602506601	/nfs/dbraw/zinc/50/66/01/602506601.db2.gz	CKWOMHJKSQCUOO-SECBINFHSA-N	-2	0	334.336	-0.280	20	0		EBADRL
CC(C)C[C@@H](CNC(=O)[O-])NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738803980	602527565	/nfs/dbraw/zinc/52/75/65/602527565.db2.gz	GTDRUVFIWUMFJP-VIFPVBQESA-N	-2	0	336.352	-0.130	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000739625398	602621649	/nfs/dbraw/zinc/62/16/49/602621649.db2.gz	LSASTUUBZKZSKQ-UHFFFAOYSA-N	-2	0	330.318	-0.128	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)c2csc(CNC(=O)[O-])n2)cn1	ZINC000740288648	602728340	/nfs/dbraw/zinc/72/83/40/602728340.db2.gz	FEHVGBQGDWSDOE-UHFFFAOYSA-N	-2	0	345.362	-0.237	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000740008975	602907990	/nfs/dbraw/zinc/90/79/90/602907990.db2.gz	PUNXAVJQCNVMLD-YFKPBYRVSA-N	-2	0	337.383	-0.464	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)[O-]	ZINC000739804627	602998111	/nfs/dbraw/zinc/99/81/11/602998111.db2.gz	HPUTXWFTIRZJKG-HTQZYQBOSA-N	-2	0	328.412	-0.143	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000740009184	602999405	/nfs/dbraw/zinc/99/94/05/602999405.db2.gz	SRTCYHDTJANJRH-HTQZYQBOSA-N	-2	0	326.396	-0.389	20	0		EBADRL
CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000739299396	603145008	/nfs/dbraw/zinc/14/50/08/603145008.db2.gz	GQUIBEQSHUQSGQ-JTQLQIEISA-N	-2	0	349.409	-0.309	20	0		EBADRL
Cn1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C(=O)[O-]	ZINC000912979456	650217293	/nfs/dbraw/zinc/21/72/93/650217293.db2.gz	WDGCIYWTNJSSIT-ZETCQYMHSA-N	-3	0	334.306	-0.680	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000916106311	650272717	/nfs/dbraw/zinc/27/27/17/650272717.db2.gz	UOMLVWNYQDEOPO-SECBINFHSA-N	-3	0	331.302	-0.019	20	0		EBADRL
C[C@H](NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2)C(=O)[O-]	ZINC000919954609	650306099	/nfs/dbraw/zinc/30/60/99/650306099.db2.gz	NKDWMMWJIIWCDJ-LURJTMIESA-N	-2	0	331.302	-0.093	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c1[O-]	ZINC000973181998	725659809	/nfs/dbraw/zinc/65/98/09/725659809.db2.gz	TVDAJADUGJFNCX-ZKCHVHJHSA-N	-2	0	334.336	-0.148	20	0		EBADRL
Cc1n[nH]c(C(=O)NCC2CN(C(=O)c3n[nH]c(C)c3[O-])C2)c1[O-]	ZINC001001455689	726606932	/nfs/dbraw/zinc/60/69/32/726606932.db2.gz	PJVNBSMASDXQHK-UHFFFAOYSA-N	-2	0	334.336	-0.337	20	0		EBADRL
CCN(C(=O)c1n[nH]c(C)c1[O-])[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001033805051	731075291	/nfs/dbraw/zinc/07/52/91/731075291.db2.gz	AVJYKARHSDQLAC-VIFPVBQESA-N	-2	0	335.368	-0.016	20	0		EBADRL
CCc1nc2c(c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1)CNC2	ZINC001218416241	810490356	/nfs/dbraw/zinc/49/03/56/810490356.db2.gz	GPQDLOVCOGCQLO-KBUNVGBDSA-N	-2	0	339.304	-0.916	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)c1cccc(O)c1)[C@H](O)C(=O)[O-]	ZINC001222222655	811610300	/nfs/dbraw/zinc/61/03/00/811610300.db2.gz	NGYHYIDZBCHHCG-CABZTGNLSA-N	-2	0	326.257	-0.346	20	0		EBADRL
COC(=O)[C@H](OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1	ZINC001223072977	811681172	/nfs/dbraw/zinc/68/11/72/811681172.db2.gz	QWAWFUGTPXCRQS-YUSALJHKSA-N	-2	0	340.284	-0.020	20	0		EBADRL
COc1cc(OC)nc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223762101	811728005	/nfs/dbraw/zinc/72/80/05/811728005.db2.gz	FXPUFRYIMCJQBQ-KBUNVGBDSA-N	-2	0	344.276	-0.927	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(-n2ccnn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001224192869	811749115	/nfs/dbraw/zinc/74/91/15/811749115.db2.gz	SRZDNPMSEAHSEK-DGCLKSJQSA-N	-2	0	349.299	-0.153	20	0		EBADRL
CC(=O)N1CCC[C@@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])C1	ZINC001225173646	811797703	/nfs/dbraw/zinc/79/77/03/811797703.db2.gz	YSHZAEQYFLJAAF-NXEZZACHSA-N	-2	0	325.254	-0.742	20	0		EBADRL
Cc1cc2c(cc1OC(=O)[C@H](O)COP(=O)([O-])[O-])CC(=O)N2	ZINC001225511699	811816126	/nfs/dbraw/zinc/81/61/26/811816126.db2.gz	LMRQCXXZEDJXHA-SECBINFHSA-N	-2	0	331.217	-0.135	20	0		EBADRL
NC(=O)c1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225520544	811816619	/nfs/dbraw/zinc/81/66/19/811816619.db2.gz	LPDBSWQHVNRHPM-XCBNKYQSSA-N	-2	0	345.691	-0.119	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncc(Br)cn1)[C@@H](O)C(=O)[O-]	ZINC001225559477	811817976	/nfs/dbraw/zinc/81/79/76/811817976.db2.gz	IRIOCVHHCFWHJF-IYSWYEEDSA-N	-2	0	349.093	-0.319	20	0		EBADRL
CC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225675216	811823401	/nfs/dbraw/zinc/82/34/01/811823401.db2.gz	SMNJJLXLPALMIM-MRVPVSSYSA-N	-2	0	336.189	-0.324	20	0		EBADRL
COC(=O)c1c[nH]c(=O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226210417	811853017	/nfs/dbraw/zinc/85/30/17/811853017.db2.gz	CRDOWICPEAPXLT-XUOSJQGZSA-N	-2	0	343.244	-0.984	20	0		EBADRL
COC(=O)c1cncc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001226323459	811859542	/nfs/dbraw/zinc/85/95/42/811859542.db2.gz	WMSSCPLNBJJJFI-WCBMZHEXSA-N	-2	0	327.245	-0.690	20	0		EBADRL
CC(=O)Nc1cccnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226311880	811860126	/nfs/dbraw/zinc/86/01/26/811860126.db2.gz	BRFTURCYBMNSHJ-XCBNKYQSSA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C(Oc1cccc2ccc[n+]([O-])c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001227003010	811896369	/nfs/dbraw/zinc/89/63/69/811896369.db2.gz	AWWCNCRVRKSSCC-SECBINFHSA-N	-2	0	329.201	-0.151	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2ccc[n+]([O-])c21)[C@H](O)C(=O)[O-]	ZINC001227003134	811896610	/nfs/dbraw/zinc/89/66/10/811896610.db2.gz	FGJLEBFCKUVGQX-ZANVPECISA-N	-2	0	335.268	-0.085	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cnc(Br)nc1)[C@@H](O)C(=O)[O-]	ZINC001227755882	811940659	/nfs/dbraw/zinc/94/06/59/811940659.db2.gz	KYNFHFAFJNGRTB-CAHLUQPWSA-N	-2	0	349.093	-0.319	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cc[nH]c21)[C@H](O)C(=O)[O-]	ZINC001227808134	811942747	/nfs/dbraw/zinc/94/27/47/811942747.db2.gz	FBOSSTMJQUCGGC-NVNXEXLPSA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)CCNC2=O)[C@@H](O)C(=O)[O-]	ZINC001227917336	811948689	/nfs/dbraw/zinc/94/86/89/811948689.db2.gz	BAJKOZJOVXHGED-CMPLNLGQSA-N	-2	0	337.284	-0.586	20	0		EBADRL
COC(=O)c1cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001228092707	811961171	/nfs/dbraw/zinc/96/11/71/811961171.db2.gz	LODSJLBICRRRAS-MWLCHTKSSA-N	-2	0	342.256	-0.379	20	0		EBADRL
CSc1nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(=O)[nH]1	ZINC001228095281	811961286	/nfs/dbraw/zinc/96/12/86/811961286.db2.gz	QRAQHNXQEFDCRZ-SCSAIBSYSA-N	-2	0	326.223	-0.720	20	0		EBADRL
CSc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)[nH]1	ZINC001228095754	811961428	/nfs/dbraw/zinc/96/14/28/811961428.db2.gz	XLJUVHJORMSEJI-SPGJFGJESA-N	-2	0	332.290	-0.654	20	0		EBADRL
O=C(Oc1ccc(Br)nn1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228283608	811973451	/nfs/dbraw/zinc/97/34/51/811973451.db2.gz	XTUKTAZAYJLSKD-SCSAIBSYSA-N	-2	0	343.026	-0.385	20	0		EBADRL
CCOC(=O)c1cncc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001228559996	811987071	/nfs/dbraw/zinc/98/70/71/811987071.db2.gz	IQSASLMBVOQXSY-ONGXEEELSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)c2cccnc21)[C@H](O)C(=O)[O-]	ZINC001228709997	811995766	/nfs/dbraw/zinc/99/57/66/811995766.db2.gz	KGIZHOVRHYYQEC-MUWHJKNJSA-N	-2	0	337.244	-0.828	20	0		EBADRL
O=C(Oc1n[nH]c(=O)c2c1CCCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001229220987	812019611	/nfs/dbraw/zinc/01/96/11/812019611.db2.gz	LKZCMCZKJHECRJ-MRVPVSSYSA-N	-2	0	334.221	-0.563	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)CNC(=O)C2)[C@H](O)C(=O)[O-]	ZINC001229636057	812046699	/nfs/dbraw/zinc/04/66/99/812046699.db2.gz	JRLSDAHMJUESQH-GWCFXTLKSA-N	-2	0	337.284	-0.699	20	0		EBADRL
Cc1ncc2c(c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])COC2	ZINC001229794029	812056077	/nfs/dbraw/zinc/05/60/77/812056077.db2.gz	DVIQWFKNPRNKAA-GZMMTYOYSA-N	-2	0	325.273	-0.138	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2n[nH]cc21)[C@@H](O)C(=O)[O-]	ZINC001231048679	812267314	/nfs/dbraw/zinc/26/73/14/812267314.db2.gz	RCUYQLFIMOEYCA-AWFVSMACSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc[nH]c2cc(=O)ccc1-2)[C@@H](O)C(=O)[O-]	ZINC001231116346	812274234	/nfs/dbraw/zinc/27/42/34/812274234.db2.gz	MZLYLXZVNWSJDF-GZMMTYOYSA-N	-2	0	336.256	-0.223	20	0		EBADRL
NC(=O)c1c(F)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F	ZINC001234593498	812442757	/nfs/dbraw/zinc/44/27/57/812442757.db2.gz	RLHRIRJZMVKNGU-XUOSJQGZSA-N	-2	0	347.226	-0.495	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1C(=O)NCC2)[C@H](O)C(=O)[O-]	ZINC001234654109	812447850	/nfs/dbraw/zinc/44/78/50/812447850.db2.gz	MNYALWARQAGPES-PELKAZGASA-N	-2	0	337.284	-0.586	20	0		EBADRL
Cc1[nH]nc(C(=O)N2C[C@H]3CCN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1[O-]	ZINC001084283114	815880997	/nfs/dbraw/zinc/88/09/97/815880997.db2.gz	VPDHAFADPOJFSG-RKDXNWHRSA-N	-2	0	333.352	-0.406	20	0		EBADRL
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001184180735	833322521	/nfs/dbraw/zinc/32/25/21/833322521.db2.gz	LVQBAJCNJQMQMA-QMMMGPOBSA-N	-2	0	342.285	-0.248	20	0		EBADRL
COc1ccc(S(=O)(=O)NCC[P@@](=O)([O-])O)cc1C(=O)[O-]	ZINC001185324120	833355641	/nfs/dbraw/zinc/35/56/41/833355641.db2.gz	CNLTVPVJVQDKOG-UHFFFAOYSA-N	-2	0	339.262	-0.151	20	0		EBADRL
COc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1C(=O)[O-]	ZINC001185324442	833356114	/nfs/dbraw/zinc/35/61/14/833356114.db2.gz	NXTHSCQAYXFIJI-UHFFFAOYSA-N	-2	0	325.320	-0.483	20	0		EBADRL
NC(=O)c1cnoc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148917117	830555111	/nfs/dbraw/zinc/55/51/11/830555111.db2.gz	LGABZOLWXMMKSK-UHFFFAOYSA-N	-2	0	327.274	-0.022	20	0		EBADRL
O=C(N[C@H]1CCC(=O)NC1=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189899440	834206752	/nfs/dbraw/zinc/20/67/52/834206752.db2.gz	BLVBSYZKYAIEHM-QMMMGPOBSA-N	-2	0	328.217	-0.307	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)cc(S(=O)(=O)[O-])c1	ZINC001189933796	834210236	/nfs/dbraw/zinc/21/02/36/834210236.db2.gz	MRZVOHDVEBMRKM-UHFFFAOYSA-N	-3	0	342.289	-0.615	20	0		EBADRL
Cc1nc(C(=O)[N-]C(=N)SCCS(=O)(=O)[O-])c(=O)[nH]c1C	ZINC001193976627	834989846	/nfs/dbraw/zinc/98/98/46/834989846.db2.gz	XTKDBFJUHFZABZ-UHFFFAOYSA-N	-2	0	334.379	-0.328	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccc(N2CCOCC2=O)cc1	ZINC001196279564	835385128	/nfs/dbraw/zinc/38/51/28/835385128.db2.gz	SXEFFSLSJUHHJD-UHFFFAOYSA-N	-2	0	344.260	-0.111	20	0		EBADRL
Cc1nc2ccccn2c(=O)c1C(=O)NCCOP(=O)([O-])[O-]	ZINC001201366437	836135378	/nfs/dbraw/zinc/13/53/78/836135378.db2.gz	SBGFQGMVRACHID-UHFFFAOYSA-N	-2	0	327.233	-0.158	20	0		EBADRL
COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001204807242	836530962	/nfs/dbraw/zinc/53/09/62/836530962.db2.gz	ZZDLIPZLZBQFNA-GWCFXTLKSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc2c(c1)OCO2)[C@@H](O)C(=O)[O-]	ZINC001206272357	836635273	/nfs/dbraw/zinc/63/52/73/836635273.db2.gz	HEWXOUPVQTVSII-PRHODGIISA-N	-2	0	326.257	-0.005	20	0		EBADRL
O=C(CSCC(=O)[N-]OC[C@H]1CCOC1)[N-]OC[C@@H]1CCOC1	ZINC001324452672	839660261	/nfs/dbraw/zinc/66/02/61/839660261.db2.gz	RLYKPHCTSGMMBL-TXEJJXNPSA-N	-2	0	348.421	-0.112	20	0		EBADRL
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001591926706	951245976	/nfs/dbraw/zinc/24/59/76/951245976.db2.gz	SHMILWMNLPXCOK-SSDOTTSWSA-N	-2	0	336.322	-0.381	20	0		EBADRL
CNS(=O)(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])CCCO2)ccc1[O-]	ZINC001593799260	954846909	/nfs/dbraw/zinc/84/69/09/954846909.db2.gz	WHXXAHMPKCTACA-ZDUSSCGKSA-N	-2	0	344.345	-0.127	20	0		EBADRL
Cn1nnnc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594602330	956145381	/nfs/dbraw/zinc/14/53/81/956145381.db2.gz	VIJCEIKONPKIEX-XPUUQOCRSA-N	-2	0	336.274	-0.694	20	0		EBADRL
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001589205731	956663415	/nfs/dbraw/zinc/66/34/15/956663415.db2.gz	YHTWWHJNALSKPB-UHFFFAOYSA-N	-2	0	334.394	-0.295	20	0		EBADRL
O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](CC1CCOCC1)C(=O)[O-]	ZINC001571190608	962244722	/nfs/dbraw/zinc/24/47/22/962244722.db2.gz	KSGDTTYHFCXLEP-QMMMGPOBSA-N	-2	0	330.366	-0.012	20	0		EBADRL
O=C([O-])CN1CCCC[C@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1=O	ZINC001574722923	962787787	/nfs/dbraw/zinc/78/77/87/962787787.db2.gz	UMTHVRGTMBLAQT-ZETCQYMHSA-N	-2	0	343.365	-0.816	20	0		EBADRL
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001603346065	972746487	/nfs/dbraw/zinc/74/64/87/972746487.db2.gz	DGXZTPBGMXYUGC-HQJQHLMTSA-N	-2	0	337.254	-0.115	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1	ZINC001603842753	974345732	/nfs/dbraw/zinc/34/57/32/974345732.db2.gz	GVOVVBBYCTZCDA-JTQLQIEISA-N	-2	0	329.353	-0.726	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001591858655	976150825	/nfs/dbraw/zinc/15/08/25/976150825.db2.gz	FNNLLGZVALBPOE-CIUDSAMLSA-N	-2	0	340.298	-0.017	20	0		EBADRL
CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)c1	ZINC001592145470	977001731	/nfs/dbraw/zinc/00/17/31/977001731.db2.gz	HRIKMJAVJMTMAA-UHFFFAOYSA-N	-2	0	341.349	-0.136	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1=O	ZINC001595371816	980855607	/nfs/dbraw/zinc/85/56/07/980855607.db2.gz	OVBBOMSMVCSRFI-LBPRGKRZSA-N	-2	0	342.333	-0.306	20	0		EBADRL
CCN1CCO[C@@H](C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1	ZINC001596442580	984138245	/nfs/dbraw/zinc/13/82/45/984138245.db2.gz	NGGWYNAQOYVPEE-YZUGKSJVSA-N	-2	0	340.376	-0.269	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599913599	985021943	/nfs/dbraw/zinc/02/19/43/985021943.db2.gz	UFUCMJGRFPLWNW-GDPRMGEGSA-N	-2	0	342.348	-0.696	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1Cc2ccc(C(=O)[O-])cc2C1	ZINC001596969315	986190926	/nfs/dbraw/zinc/19/09/26/986190926.db2.gz	XRKNLRPMFYSCPB-UHFFFAOYSA-N	-2	0	335.316	-0.589	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1	ZINC001589452336	986848571	/nfs/dbraw/zinc/84/85/71/986848571.db2.gz	LBAUUGIGKPEYCU-YUMQZZPRSA-N	-2	0	341.349	-0.778	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn2c1OCCC2	ZINC001589454145	986874407	/nfs/dbraw/zinc/87/44/07/986874407.db2.gz	LZJWTVDQJDBDRP-HTQZYQBOSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nnn[n-]1	ZINC001594656240	986903683	/nfs/dbraw/zinc/90/36/83/986903683.db2.gz	KNISTOPFSGEIIY-HTQZYQBOSA-N	-2	0	342.381	-0.987	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)Cc1cccc(F)c1	ZINC001589491179	987057487	/nfs/dbraw/zinc/05/74/87/987057487.db2.gz	IILYMVNAIFEFBB-QMMMGPOBSA-N	-2	0	346.336	-0.597	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CNC(=O)CC1CCCCC1	ZINC001589492589	987064227	/nfs/dbraw/zinc/06/42/27/987064227.db2.gz	UYTCVGOXAQSDQG-VIFPVBQESA-N	-2	0	334.394	-0.008	20	0		EBADRL
CC(C)(CCS(=O)(=O)[N-]CC(F)(F)C(=O)[O-])S(C)(=O)=O	ZINC001590694731	990414682	/nfs/dbraw/zinc/41/46/82/990414682.db2.gz	ZVIYRNPRCAQCSF-UHFFFAOYSA-N	-2	0	337.366	-0.161	20	0		EBADRL
CC(C)(CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(=O)[O-]	ZINC001590705558	990444308	/nfs/dbraw/zinc/44/43/08/990444308.db2.gz	HMSREBOEVMKFTG-UHFFFAOYSA-N	-2	0	340.336	-0.132	20	0		EBADRL
CC(C)C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001591143746	991871570	/nfs/dbraw/zinc/87/15/70/991871570.db2.gz	CYUFAOUCGLDYLF-UWVGGRQHSA-N	-2	0	330.337	-0.839	20	0		EBADRL
CC(C)C[C@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001591143749	991871603	/nfs/dbraw/zinc/87/16/03/991871603.db2.gz	CYUFAOUCGLDYLF-ZJUUUORDSA-N	-2	0	330.337	-0.839	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cn1	ZINC001599760838	992119865	/nfs/dbraw/zinc/11/98/65/992119865.db2.gz	PFNUNKLDIVWLBV-UHFFFAOYSA-N	-2	0	339.333	-0.014	20	0		EBADRL
CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)N=S(C)(C)=O)C(=O)[O-]	ZINC001591462072	992571846	/nfs/dbraw/zinc/57/18/46/992571846.db2.gz	AILDHEMHJFPPCF-QMMMGPOBSA-N	-2	0	343.427	-0.836	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)NC[C@@]2(C(=O)[O-])CCOC2)cc1=O	ZINC001591505768	992651237	/nfs/dbraw/zinc/65/12/37/992651237.db2.gz	LOFKIARBDJXFEG-HNNXBMFYSA-N	-2	0	325.365	-0.018	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])C1=O	ZINC001598553869	993033260	/nfs/dbraw/zinc/03/32/60/993033260.db2.gz	ZCNLVHFBOUHCJN-UHFFFAOYSA-N	-2	0	331.281	-0.389	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-]	ZINC001598692077	995081342	/nfs/dbraw/zinc/08/13/42/995081342.db2.gz	NQSHPKIRKZSMPT-QMMMGPOBSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1	ZINC001598852056	996612733	/nfs/dbraw/zinc/61/27/33/996612733.db2.gz	FSZWISQIRVAQMZ-UHFFFAOYSA-N	-2	0	330.318	-0.207	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC001598868212	996722096	/nfs/dbraw/zinc/72/20/96/996722096.db2.gz	OOPCHMIBCSFXPB-SNVBAGLBSA-N	-2	0	345.329	-0.180	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-]	ZINC001598868357	996722803	/nfs/dbraw/zinc/72/28/03/996722803.db2.gz	QKHBOHUIOYKTHU-MRVPVSSYSA-N	-2	0	337.350	-0.433	20	0		EBADRL
COCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1	ZINC001599252600	998257730	/nfs/dbraw/zinc/25/77/30/998257730.db2.gz	QOIKXVBMDBXUSG-UHFFFAOYSA-N	-2	0	340.288	-0.196	20	0		EBADRL
COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])n1	ZINC001599270620	998540922	/nfs/dbraw/zinc/54/09/22/998540922.db2.gz	AIPSBBBQPUFARK-BDAKNGLRSA-N	-2	0	333.366	-0.302	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[C@@H]1C(=O)[O-]	ZINC001594455420	999658121	/nfs/dbraw/zinc/65/81/21/999658121.db2.gz	SWMPPHWWNRMEDM-VWYCJHECSA-N	-2	0	342.348	-0.742	20	0		EBADRL
NC(=O)c1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC001260393587	1130544842	/nfs/dbraw/zinc/54/48/42/1130544842.db2.gz	PIVJFLJVDSRWOP-UHFFFAOYSA-N	-2	0	338.301	-0.220	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1=O	ZINC001362122047	1131519823	/nfs/dbraw/zinc/51/98/23/1131519823.db2.gz	FZVYXUYRGJMEDJ-LLVKDONJSA-N	-2	0	335.368	-0.512	20	0		EBADRL
Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC001365157246	1132563261	/nfs/dbraw/zinc/56/32/61/1132563261.db2.gz	DQUHQSIOISLLFY-ZJUUUORDSA-N	-2	0	348.359	-0.193	20	0		EBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1	ZINC000036324073	375929449	/nfs/dbraw/zinc/92/94/49/375929449.db2.gz	BSRHMTXFLQSZPO-UHFFFAOYSA-N	-2	0	330.347	-0.071	20	0		EBADRL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1OC	ZINC000274986005	376067617	/nfs/dbraw/zinc/06/76/17/376067617.db2.gz	MBQRTABCZXBPMK-UHFFFAOYSA-N	-2	0	333.318	-0.136	20	0		EBADRL
Cn1ncc(Cl)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000569768834	377163298	/nfs/dbraw/zinc/16/32/98/377163298.db2.gz	AIVGCZSDWNWMRM-RXMQYKEDSA-N	-2	0	325.730	-0.473	20	0		EBADRL
C[C@]1(c2ccc(CNC(=O)N3CC(C(=O)[O-])C3)cc2)NC(=O)NC1=O	ZINC000621830125	379363430	/nfs/dbraw/zinc/36/34/30/379363430.db2.gz	ZSTNGWZTXCMNJE-MRXNPFEDSA-N	-2	0	346.343	-0.033	20	0		EBADRL
COC(=O)c1ccc(F)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274912809	379723206	/nfs/dbraw/zinc/72/32/06/379723206.db2.gz	LDCVKPOJVIUBHG-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000274941717	379725030	/nfs/dbraw/zinc/72/50/30/379725030.db2.gz	RCRMPRKTSHGMDX-VIFPVBQESA-N	-2	0	342.333	-0.517	20	0		EBADRL
Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000274955477	379727809	/nfs/dbraw/zinc/72/78/09/379727809.db2.gz	IKHOUEGTKSYPKE-YFKPBYRVSA-N	-2	0	325.730	-0.473	20	0		EBADRL
CCOC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000274974571	379729577	/nfs/dbraw/zinc/72/95/77/379729577.db2.gz	WVQKNBUZFZIBIQ-QMMMGPOBSA-N	-2	0	348.333	-0.592	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCCO2	ZINC000275020954	379731778	/nfs/dbraw/zinc/73/17/78/379731778.db2.gz	RUCAVIGKCQDTAR-UHFFFAOYSA-N	-2	0	331.302	-0.382	20	0		EBADRL
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275171994	379740468	/nfs/dbraw/zinc/74/04/68/379740468.db2.gz	VMUQLXCCOMWXPC-LBPRGKRZSA-N	-2	0	331.350	-0.033	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000278252265	379916822	/nfs/dbraw/zinc/91/68/22/379916822.db2.gz	XAHQNXHQULNLCF-SECBINFHSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)CC1(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000614327642	379921636	/nfs/dbraw/zinc/92/16/36/379921636.db2.gz	QATIZDFNCQCIKY-MRVPVSSYSA-N	-2	0	337.350	-0.433	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cn1	ZINC000614327716	379921884	/nfs/dbraw/zinc/92/18/84/379921884.db2.gz	XRSAOFZIJDYDIC-MRVPVSSYSA-N	-2	0	346.317	-0.536	20	0		EBADRL
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547552952	380143444	/nfs/dbraw/zinc/14/34/44/380143444.db2.gz	GRHICMFSRSDKQP-IUCAKERBSA-N	-2	0	337.350	-0.481	20	0		EBADRL
Nc1ncc(Cl)cc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000547582910	380147286	/nfs/dbraw/zinc/14/72/86/380147286.db2.gz	OVDCPNUBILGOEH-LURJTMIESA-N	-2	0	337.741	-0.087	20	0		EBADRL
O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NCc1n[nH]c(=O)[n-]1	ZINC000354928859	380117536	/nfs/dbraw/zinc/11/75/36/380117536.db2.gz	YRCVCYYARLAKSW-UHFFFAOYSA-N	-2	0	347.303	-0.617	20	0		EBADRL
Cc1cc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)on1	ZINC000547925079	380170620	/nfs/dbraw/zinc/17/06/20/380170620.db2.gz	PHIOSOTWTUGXQR-NXEZZACHSA-N	-2	0	332.334	-0.080	20	0		EBADRL
CCn1cnc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000547925181	380170690	/nfs/dbraw/zinc/17/06/90/380170690.db2.gz	RCSHXMCZWGZSBG-GFCCVEGCSA-N	-2	0	331.350	-0.157	20	0		EBADRL
CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000547910285	380171016	/nfs/dbraw/zinc/17/10/16/380171016.db2.gz	BPWADTTYOKUPPP-QMMMGPOBSA-N	-2	0	342.333	-0.080	20	0		EBADRL
COC(=O)[C@@H](C)CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547934394	380172561	/nfs/dbraw/zinc/17/25/61/380172561.db2.gz	BPWOQADFJGRZKH-WRWORJQWSA-N	-2	0	325.339	-0.720	20	0		EBADRL
COC(=O)CCCS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547616301	380152510	/nfs/dbraw/zinc/15/25/10/380152510.db2.gz	SPRBMPKJFVUBBO-NSHDSACASA-N	-2	0	325.339	-0.575	20	0		EBADRL
COCCOCCS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000564861283	380383107	/nfs/dbraw/zinc/38/31/07/380383107.db2.gz	UCLHYVPTNUZOGT-GFCCVEGCSA-N	-2	0	339.366	-0.769	20	0		EBADRL
COCCOc1ccccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000565633878	380427910	/nfs/dbraw/zinc/42/79/10/380427910.db2.gz	XTPWEGZYVPRJJZ-UHFFFAOYSA-N	-2	0	347.345	-0.128	20	0		EBADRL
Cn1ncc(Cl)c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000566655650	380483806	/nfs/dbraw/zinc/48/38/06/380483806.db2.gz	DTIHWITXJVVLRT-JTQLQIEISA-N	-2	0	339.757	-0.083	20	0		EBADRL
Cc1nc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1C	ZINC000275097962	380569116	/nfs/dbraw/zinc/56/91/16/380569116.db2.gz	LBXCZDUFEDVCOW-BDAKNGLRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
Cc1nc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1C	ZINC000275097966	380569152	/nfs/dbraw/zinc/56/91/52/380569152.db2.gz	LBXCZDUFEDVCOW-IUCAKERBSA-N	-2	0	331.350	-0.475	20	0		EBADRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CCOCC2CC2)C1	ZINC000574191235	380704139	/nfs/dbraw/zinc/70/41/39/380704139.db2.gz	AUUHNYDSJFDBLF-CYBMUJFWSA-N	-2	0	335.378	-0.006	20	0		EBADRL
CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])C1	ZINC000572257102	381654096	/nfs/dbraw/zinc/65/40/96/381654096.db2.gz	CFXCWUUHUPMFQH-KKZNHRDASA-N	-2	0	339.348	-0.126	20	0		EBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1	ZINC000319613603	155179661	/nfs/dbraw/zinc/17/96/61/155179661.db2.gz	NSVMAMNWZQUWGT-UHFFFAOYSA-N	-2	0	338.345	-0.204	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C	ZINC000274942016	154629681	/nfs/dbraw/zinc/62/96/81/154629681.db2.gz	GJEVSZAPHJGWMS-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
Cc1c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])coc1C(=O)N(C)C	ZINC000650388185	419011970	/nfs/dbraw/zinc/01/19/70/419011970.db2.gz	WFTMLADSUCQJMM-ZETCQYMHSA-N	-2	0	348.333	-0.504	20	0		EBADRL
COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274909069	419325698	/nfs/dbraw/zinc/32/56/98/419325698.db2.gz	KCDRJAWBKYOIKQ-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
CC(C)[C@H](CNC(=O)N=c1ncn(CC(=O)N(C)C)[n-]1)C(=O)[O-]	ZINC000653539798	419800374	/nfs/dbraw/zinc/80/03/74/419800374.db2.gz	LTFSPLQWYFLUII-VIFPVBQESA-N	-2	0	326.357	-0.734	20	0		EBADRL
Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC000580453183	420652664	/nfs/dbraw/zinc/65/26/64/420652664.db2.gz	QRBGZDUKWSWJGV-SECBINFHSA-N	-2	0	343.365	0.020	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000656513486	420897863	/nfs/dbraw/zinc/89/78/63/420897863.db2.gz	YTPSWWGQIGJPCU-SECBINFHSA-N	-2	0	344.345	-0.452	20	0		EBADRL
CN(CCNC(=O)N=c1[n-]ncs1)C(=O)N=c1[n-]ncs1	ZINC000437937120	265250796	/nfs/dbraw/zinc/25/07/96/265250796.db2.gz	UIRIMAIHJUZJPE-UHFFFAOYSA-N	-2	0	328.383	-0.481	20	0		EBADRL
CCn1cn[n-]c1=NC(=O)/C=C/C=C\C(=O)N=c1[n-]ncn1CC	ZINC000493665401	272871079	/nfs/dbraw/zinc/87/10/79/272871079.db2.gz	UTRCTWWXJKNFPC-CGXWXWIYSA-N	-2	0	330.352	-0.557	20	0		EBADRL
CC(=O)Nc1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1F	ZINC000274927473	278186119	/nfs/dbraw/zinc/18/61/19/278186119.db2.gz	CJDIFVFIYWSTMZ-UHFFFAOYSA-N	-2	0	348.308	-0.056	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000274991224	289033556	/nfs/dbraw/zinc/03/35/56/289033556.db2.gz	MSTRPMGZNXMNEY-UHFFFAOYSA-N	-2	0	344.345	-0.452	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738037575	582615991	/nfs/dbraw/zinc/61/59/91/582615991.db2.gz	KKXNMJHBKQFWKO-VIFPVBQESA-N	-2	0	336.366	-0.224	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])s1	ZINC000737699435	582635405	/nfs/dbraw/zinc/63/54/05/582635405.db2.gz	BDPAMTJLUMWTLL-UHFFFAOYSA-N	-2	0	336.347	-0.003	20	0		EBADRL
CC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CCCC1	ZINC000736143368	582920591	/nfs/dbraw/zinc/92/05/91/582920591.db2.gz	YJUSXYLWSDLRPY-GFCCVEGCSA-N	-2	0	334.394	-0.008	20	0		EBADRL
CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1=O	ZINC000736261104	582927229	/nfs/dbraw/zinc/92/72/29/582927229.db2.gz	MUULFHKBTOJLLY-SECBINFHSA-N	-2	0	334.394	-0.056	20	0		EBADRL
C[C@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736660283	582948499	/nfs/dbraw/zinc/94/84/99/582948499.db2.gz	GCZHSXUTGCLPJI-QMMMGPOBSA-N	-2	0	332.334	-0.291	20	0		EBADRL
C[C@@H](NC(=O)c1ccco1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736660282	582948699	/nfs/dbraw/zinc/94/86/99/582948699.db2.gz	GCZHSXUTGCLPJI-MRVPVSSYSA-N	-2	0	332.334	-0.291	20	0		EBADRL
CC1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCOCC1	ZINC000736728826	582951704	/nfs/dbraw/zinc/95/17/04/582951704.db2.gz	RXWZFQPKUBVEKW-UHFFFAOYSA-N	-2	0	334.394	-0.039	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000737362420	583005834	/nfs/dbraw/zinc/00/58/34/583005834.db2.gz	XCXPFNFMZYPKOV-MNOVXSKESA-N	-2	0	340.357	-0.086	20	0		EBADRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1C	ZINC000737544454	583013188	/nfs/dbraw/zinc/01/31/88/583013188.db2.gz	JZBOAWKTOJUYBC-UHFFFAOYSA-N	-2	0	341.349	-0.533	20	0		EBADRL
COC(=O)CN(CC(=O)[O-])CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000737616282	583022359	/nfs/dbraw/zinc/02/23/59/583022359.db2.gz	VGPDDJPVNYLTIU-UHFFFAOYSA-N	-2	0	341.345	-0.432	20	0		EBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000738178000	583044319	/nfs/dbraw/zinc/04/43/19/583044319.db2.gz	VQJCWEAMTOFFEK-UWVGGRQHSA-N	-2	0	347.370	-0.384	20	0		EBADRL
CC[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000776540672	583405856	/nfs/dbraw/zinc/40/58/56/583405856.db2.gz	VQOIQSRINXOWQU-LURJTMIESA-N	-2	0	342.333	-0.175	20	0		EBADRL
O=C([O-])CN(C1CC1)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000776668531	583408130	/nfs/dbraw/zinc/40/81/30/583408130.db2.gz	PPMPYOUAASPLCU-UHFFFAOYSA-N	-2	0	340.317	-0.326	20	0		EBADRL
C[C@@H](C(=O)OCc1n[nH]c(=O)[n-]1)[C@H](C)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000791464660	583551001	/nfs/dbraw/zinc/55/10/01/583551001.db2.gz	UNGRSAVFEZFWNN-OLQVQODUSA-N	-2	0	340.296	-0.607	20	0		EBADRL
O=C([O-])CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-]	ZINC000819527224	583758483	/nfs/dbraw/zinc/75/84/83/583758483.db2.gz	QSSBJASQUICGNV-UHFFFAOYSA-N	-2	0	328.346	-0.009	20	0		EBADRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC000820289529	583770883	/nfs/dbraw/zinc/77/08/83/583770883.db2.gz	XACDRGMXJOYJCU-UHFFFAOYSA-N	-2	0	327.260	-0.438	20	0		EBADRL
Cn1cc(-c2nn[nH]n2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000822623436	583814706	/nfs/dbraw/zinc/81/47/06/583814706.db2.gz	XCHBYSKHCNYZJF-UHFFFAOYSA-N	-2	0	338.309	-0.573	20	0		EBADRL
C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-]	ZINC000824635035	583848053	/nfs/dbraw/zinc/84/80/53/583848053.db2.gz	YAUPMHGCAPESHL-BYPYZUCNSA-N	-2	0	333.276	-0.104	20	0		EBADRL
C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000825064838	583854819	/nfs/dbraw/zinc/85/48/19/583854819.db2.gz	GNUXODUJXCMLNI-RKDXNWHRSA-N	-2	0	349.409	-0.265	20	0		EBADRL
C[C@@H](NC(=O)C(C)(C)C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000825064832	583854865	/nfs/dbraw/zinc/85/48/65/583854865.db2.gz	GNUXODUJXCMLNI-BDAKNGLRSA-N	-2	0	349.409	-0.265	20	0		EBADRL
C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000825220140	583856518	/nfs/dbraw/zinc/85/65/18/583856518.db2.gz	RKENDILWCHOVDY-ZJUUUORDSA-N	-2	0	348.363	-0.034	20	0		EBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000826111074	583879348	/nfs/dbraw/zinc/87/93/48/583879348.db2.gz	YLKDZCHUXZRUGZ-CIUDSAMLSA-N	-2	0	340.340	-0.397	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828904890	583948416	/nfs/dbraw/zinc/94/84/16/583948416.db2.gz	XXULRMVHUOIVNS-RKDXNWHRSA-N	-2	0	340.423	-0.047	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C[C@@H]1CN(C(=O)[O-])CCO1	ZINC000830913385	583971964	/nfs/dbraw/zinc/97/19/64/583971964.db2.gz	DXWHZHFXOFKCQG-SECBINFHSA-N	-2	0	347.349	-0.135	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)c2ccc(CNC(=O)[O-])o2)cn1	ZINC000831014004	583974465	/nfs/dbraw/zinc/97/44/65/583974465.db2.gz	IVRYXTWPMVNONJ-UHFFFAOYSA-N	-2	0	328.306	-0.101	20	0		EBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1	ZINC000831192177	583978958	/nfs/dbraw/zinc/97/89/58/583978958.db2.gz	FAAMBTSXDRZIMQ-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)s1	ZINC000831234211	583979733	/nfs/dbraw/zinc/97/97/33/583979733.db2.gz	NDQQYWLUSAKDMW-UHFFFAOYSA-N	-2	0	333.347	-0.548	20	0		EBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)c1cccnc1	ZINC000831387116	583982414	/nfs/dbraw/zinc/98/24/14/583982414.db2.gz	BGNJTIICJSLRTM-VIFPVBQESA-N	-2	0	329.334	-0.345	20	0		EBADRL
O=C(C[C@@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)N1CCCC1	ZINC000831414082	583982616	/nfs/dbraw/zinc/98/26/16/583982616.db2.gz	JHEMFKNUTNNGBU-SECBINFHSA-N	-2	0	337.423	-0.071	20	0		EBADRL
O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831545626	583984498	/nfs/dbraw/zinc/98/44/98/583984498.db2.gz	RIDOVMCNMKHYKJ-UWVGGRQHSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831545627	583984508	/nfs/dbraw/zinc/98/45/08/583984508.db2.gz	RIDOVMCNMKHYKJ-VHSXEESVSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1	ZINC000831747093	583991105	/nfs/dbraw/zinc/99/11/05/583991105.db2.gz	DSDYUNYCLFJMIL-PSASIEDQSA-N	-2	0	345.377	-0.804	20	0		EBADRL
Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000833014400	584002936	/nfs/dbraw/zinc/00/29/36/584002936.db2.gz	VGBJBHUNOCTRAR-UHFFFAOYSA-N	-2	0	333.366	-0.273	20	0		EBADRL
O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O	ZINC000833130701	584006368	/nfs/dbraw/zinc/00/63/68/584006368.db2.gz	DUUJWLVKWHGZGA-ZCFIWIBFSA-N	-2	0	337.317	-0.195	20	0		EBADRL
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC000833206072	584007068	/nfs/dbraw/zinc/00/70/68/584007068.db2.gz	NFXDXZCBHGHMAD-YFKPBYRVSA-N	-2	0	348.431	-0.279	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833883684	584018791	/nfs/dbraw/zinc/01/87/91/584018791.db2.gz	PLENVZKWLDSSOU-UHFFFAOYSA-N	-2	0	333.326	-0.881	20	0		EBADRL
O=C(CC1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)N1CCOCC1	ZINC000833988062	584023207	/nfs/dbraw/zinc/02/32/07/584023207.db2.gz	PBXNGHAQBWJFOE-UHFFFAOYSA-N	-2	0	335.382	-0.540	20	0		EBADRL
O=C(CC[C@@H]1CCCN1C(=O)[O-])[N-]S(=O)(=O)N1CCOCC1	ZINC000833998274	584023425	/nfs/dbraw/zinc/02/34/25/584023425.db2.gz	MYNNFJWTLALTDJ-JTQLQIEISA-N	-2	0	335.382	-0.398	20	0		EBADRL
O=C([O-])NCc1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000834247991	584029918	/nfs/dbraw/zinc/02/99/18/584029918.db2.gz	TZETXWJXKZZKMC-UHFFFAOYSA-N	-2	0	334.292	-0.467	20	0		EBADRL
O=C([O-])Nc1cnc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)cn1	ZINC000834276958	584030132	/nfs/dbraw/zinc/03/01/32/584030132.db2.gz	CWPQXIZELBSRFV-SSDOTTSWSA-N	-2	0	330.322	-0.337	20	0		EBADRL
O=C([O-])c1cn(C2CN(C(=O)[C@@H]3CSCN3C(=O)[O-])C2)nn1	ZINC000834283535	584030413	/nfs/dbraw/zinc/03/04/13/584030413.db2.gz	QIEILXAHDHMSKM-QMMMGPOBSA-N	-2	0	327.322	-0.588	20	0		EBADRL
O=C([N-]CCS(=O)(=O)CC[N-]C(=O)C(F)(F)F)C(F)(F)F	ZINC000848035851	584149805	/nfs/dbraw/zinc/14/98/05/584149805.db2.gz	CPXHRPYGCZRRQM-UHFFFAOYSA-N	-2	0	344.233	-0.242	20	0		EBADRL
CN(C)S(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233071	584167142	/nfs/dbraw/zinc/16/71/42/584167142.db2.gz	WGUHPBCCMRIKDG-NKWVEPMBSA-N	-2	0	347.315	-0.611	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851704086	584200723	/nfs/dbraw/zinc/20/07/23/584200723.db2.gz	SGZIWWKCJYJCAG-RRKCRQDMSA-N	-2	0	340.254	-0.170	20	0		EBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nc[nH]n1	ZINC000851704102	584200795	/nfs/dbraw/zinc/20/07/95/584200795.db2.gz	SIMPXUJCXYBNKF-RITPCOANSA-N	-2	0	335.242	-0.459	20	0		EBADRL
CS(=O)(=O)CCN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852736782	584215346	/nfs/dbraw/zinc/21/53/46/584215346.db2.gz	OJRYSHZEZPWHIL-SFYZADRCSA-N	-2	0	346.327	-0.373	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCOCC1	ZINC000863956581	584381143	/nfs/dbraw/zinc/38/11/43/584381143.db2.gz	BOPQTWAWQTVHDG-UHFFFAOYSA-N	-2	0	337.350	-0.733	20	0		EBADRL
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863958591	584381261	/nfs/dbraw/zinc/38/12/61/584381261.db2.gz	DGQVEGKGUOVXBI-RQJHMYQMSA-N	-2	0	345.333	-0.568	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000863957456	584381275	/nfs/dbraw/zinc/38/12/75/584381275.db2.gz	PIIOKGKNDZZWEY-UHFFFAOYSA-N	-2	0	345.329	-0.227	20	0		EBADRL
COc1cc(C)c(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1OC	ZINC000863960628	584381471	/nfs/dbraw/zinc/38/14/71/584381471.db2.gz	XJTYJIAXOGKLMX-UHFFFAOYSA-N	-2	0	347.345	-0.082	20	0		EBADRL
COc1ccc(CCS(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1	ZINC000863959355	584381515	/nfs/dbraw/zinc/38/15/15/584381515.db2.gz	BEXBNOWHCAMAQY-UHFFFAOYSA-N	-2	0	331.346	-0.215	20	0		EBADRL
NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CC1	ZINC000863961847	584381721	/nfs/dbraw/zinc/38/17/21/584381721.db2.gz	BSHYUDMDQPMMRN-NSHDSACASA-N	-2	0	340.357	-0.158	20	0		EBADRL
Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc12	ZINC000863962732	584381881	/nfs/dbraw/zinc/38/18/81/584381881.db2.gz	VORSSDKDVDCKNU-UHFFFAOYSA-N	-2	0	342.333	-0.817	20	0		EBADRL
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])ccc21	ZINC000863965630	584382374	/nfs/dbraw/zinc/38/23/74/584382374.db2.gz	KFGZTIBGDIFLCL-UHFFFAOYSA-N	-2	0	344.374	-0.409	20	0		EBADRL
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000739546368	599728127	/nfs/dbraw/zinc/72/81/27/599728127.db2.gz	HMTVPDVQTJSSTA-DTWKUNHWSA-N	-2	0	327.314	-0.017	20	0		EBADRL
O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739545940	599728200	/nfs/dbraw/zinc/72/82/00/599728200.db2.gz	CEHQQUCSAILEDO-VHSXEESVSA-N	-2	0	337.317	-0.812	20	0		EBADRL
O=C([O-])[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1	ZINC000738549224	599966487	/nfs/dbraw/zinc/96/64/87/599966487.db2.gz	RLNGYXMBUNHJIN-JTQLQIEISA-N	-2	0	325.346	-0.206	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CS2	ZINC000739842351	600179603	/nfs/dbraw/zinc/17/96/03/600179603.db2.gz	HSBMTNICODCFKL-UHFFFAOYSA-N	-2	0	330.343	-0.125	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1	ZINC000739691231	600464716	/nfs/dbraw/zinc/46/47/16/600464716.db2.gz	GMKHQWOMWMJYLV-UHFFFAOYSA-N	-2	0	332.334	-0.290	20	0		EBADRL
O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1	ZINC000739911899	600530323	/nfs/dbraw/zinc/53/03/23/600530323.db2.gz	QCLDDHFNMHPIMX-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
COCCS(=O)(=O)[N-]C(=O)[C@H](Cc1ccccc1)NC(=O)[O-]	ZINC000739839461	602652164	/nfs/dbraw/zinc/65/21/64/602652164.db2.gz	XABSDIVAORDNFH-NSHDSACASA-N	-2	0	330.362	-0.042	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2C(=O)[O-])s1	ZINC000740335452	602687047	/nfs/dbraw/zinc/68/70/47/602687047.db2.gz	BZKLNSBZCGUHOL-LURJTMIESA-N	-2	0	347.374	-0.206	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)c2csc(CNC(=O)[O-])n2)n[n-]1	ZINC000740003858	602720547	/nfs/dbraw/zinc/72/05/47/602720547.db2.gz	BGVPQHGNQWCWBD-UHFFFAOYSA-N	-2	0	346.350	-0.315	20	0		EBADRL
COc1cc(NC(=O)C(=O)NCc2nnn[n-]2)ccc1NC(=O)[O-]	ZINC000739868669	602762992	/nfs/dbraw/zinc/76/29/92/602762992.db2.gz	UUNUNQMBHMUVGR-UHFFFAOYSA-N	-2	0	335.280	-0.447	20	0		EBADRL
CN(C)C(=O)CNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000043715393	649943612	/nfs/dbraw/zinc/94/36/12/649943612.db2.gz	PUXVZCQOGGPPMN-UHFFFAOYSA-N	-2	0	346.347	-0.390	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000916110161	650272375	/nfs/dbraw/zinc/27/23/75/650272375.db2.gz	NDJKQBSJCMPFLU-SSDOTTSWSA-N	-3	0	347.301	-0.400	20	0		EBADRL
O=C([O-])c1cc2c(c(S(=O)(=O)N[C@H](CO)C(=O)[O-])c1)CCC2	ZINC000917857650	650285190	/nfs/dbraw/zinc/28/51/90/650285190.db2.gz	SOBVOQRJWZBWCR-SNVBAGLBSA-N	-2	0	329.330	-0.403	20	0		EBADRL
Cc1n[nH]c(C(=O)NCC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1[O-]	ZINC001001314861	726602512	/nfs/dbraw/zinc/60/25/12/726602512.db2.gz	OPWLDLQLFCUPOW-UHFFFAOYSA-N	-2	0	335.368	-0.111	20	0		EBADRL
O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[n-]1)c1ccc2oc(=O)nc-2[n-]1	ZINC001038919998	731392939	/nfs/dbraw/zinc/39/29/39/731392939.db2.gz	GIXQMWVALGOUIG-SSDOTTSWSA-N	-2	0	345.319	-0.244	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)CC3)c1[O-]	ZINC001050492889	734909411	/nfs/dbraw/zinc/90/94/11/734909411.db2.gz	NFRRAEGUXUZHGQ-UHFFFAOYSA-N	-2	0	347.379	-0.014	20	0		EBADRL
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2oc(=O)nc-2[n-]1	ZINC001015989621	810644085	/nfs/dbraw/zinc/64/40/85/810644085.db2.gz	ULJYUIPLDOMVLP-SSDOTTSWSA-N	-2	0	345.319	-0.244	20	0		EBADRL
COC(=O)c1csc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001223016893	811677062	/nfs/dbraw/zinc/67/70/62/811677062.db2.gz	ZQAMCZDUDNJJEC-ZCFIWIBFSA-N	-2	0	341.234	-0.557	20	0		EBADRL
CC(C)(C)c1nc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])no1	ZINC001223188259	811686672	/nfs/dbraw/zinc/68/66/72/811686672.db2.gz	IHUJXGGVDCQUSO-RCOVLWMOSA-N	-2	0	330.293	-0.053	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001223533785	811711843	/nfs/dbraw/zinc/71/18/43/811711843.db2.gz	VRSXVFYKTIHVMR-KCJUWKMLSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1ccnc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001223990125	811738605	/nfs/dbraw/zinc/73/86/05/811738605.db2.gz	UVYSREXLCCZXBK-KOLCDFICSA-N	-2	0	341.272	-0.552	20	0		EBADRL
CSc1nccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001224108804	811745861	/nfs/dbraw/zinc/74/58/61/811745861.db2.gz	DAGXKKPAJJEQHN-CBAPKCEASA-N	-2	0	330.318	-0.222	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)OCc1ccccc1)[C@H](O)C(=O)[O-]	ZINC001224331866	811757957	/nfs/dbraw/zinc/75/79/57/811757957.db2.gz	MXUIMRINQYMVTP-GWCFXTLKSA-N	-2	0	340.284	-0.191	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCCC[P@@](=O)([O-])O)[C@@H](O)C(=O)[O-]	ZINC001225018698	811787721	/nfs/dbraw/zinc/78/77/21/811787721.db2.gz	FTAYTEYNSCQZKK-POYBYMJQSA-N	-3	0	328.210	-0.976	20	0		EBADRL
CC(C)(C)OC(=O)/C=C/COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224998526	811787949	/nfs/dbraw/zinc/78/79/49/811787949.db2.gz	QYTIEYBNKLSATL-YYGIDMFXSA-N	-2	0	332.305	-0.036	20	0		EBADRL
NC(=O)c1ccc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225394002	811807414	/nfs/dbraw/zinc/80/74/14/811807414.db2.gz	LFAOHEFPPQGUFW-XCBNKYQSSA-N	-2	0	345.691	-0.119	20	0		EBADRL
NC(=O)c1ccc(Cl)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225393995	811807761	/nfs/dbraw/zinc/80/77/61/811807761.db2.gz	LFAOHEFPPQGUFW-GMSGAONNSA-N	-2	0	345.691	-0.119	20	0		EBADRL
COC(=O)c1ccncc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225518885	811816110	/nfs/dbraw/zinc/81/61/10/811816110.db2.gz	KILAUVGGSORLLB-XCBNKYQSSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001225518217	811816425	/nfs/dbraw/zinc/81/64/25/811816425.db2.gz	VDCCNXZDTASXLJ-PSASIEDQSA-N	-3	0	348.285	-0.625	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncc(Br)cn1)[C@@H](O)C(=O)[O-]	ZINC001225559474	811817507	/nfs/dbraw/zinc/81/75/07/811817507.db2.gz	IRIOCVHHCFWHJF-CAHLUQPWSA-N	-2	0	349.093	-0.319	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001225679220	811823256	/nfs/dbraw/zinc/82/32/56/811823256.db2.gz	QJHYDGGEBXXOJW-MWLCHTKSSA-N	-2	0	326.257	-0.085	20	0		EBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001225981768	811841633	/nfs/dbraw/zinc/84/16/33/811841633.db2.gz	OXKVGQHNORPHIH-KOLCDFICSA-N	-2	0	346.313	-0.468	20	0		EBADRL
COc1cnc(=S)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226247197	811855617	/nfs/dbraw/zinc/85/56/17/811855617.db2.gz	UUUMIULETCBKCC-CLZZGJSISA-N	-2	0	332.290	-0.784	20	0		EBADRL
Cn1nc(N)c2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc21	ZINC001226288603	811856501	/nfs/dbraw/zinc/85/65/01/811856501.db2.gz	QFHDCKHGMCXOLR-SECBINFHSA-N	-2	0	331.221	-0.469	20	0		EBADRL
CC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1O	ZINC001226483658	811866565	/nfs/dbraw/zinc/86/65/65/811866565.db2.gz	XWCZOIHQNLOQQC-CPCISQLKSA-N	-2	0	342.256	-0.258	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001227015494	811895961	/nfs/dbraw/zinc/89/59/61/811895961.db2.gz	OOLWBRUGMKDMTH-RDDDGLTNSA-N	-2	0	342.256	-0.379	20	0		EBADRL
CCc1cnc(=S)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227064968	811902346	/nfs/dbraw/zinc/90/23/46/811902346.db2.gz	XRTOTOZKAXSWFG-XPUUQOCRSA-N	-2	0	330.318	-0.231	20	0		EBADRL
COc1cc(O)cc(OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227251365	811912104	/nfs/dbraw/zinc/91/21/04/811912104.db2.gz	GFPGFPLOLTZGFE-WRWORJQWSA-N	-2	0	344.272	-0.149	20	0		EBADRL
COc1cc(O)cc(OC)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227251360	811912332	/nfs/dbraw/zinc/91/23/32/811912332.db2.gz	GFPGFPLOLTZGFE-CPCISQLKSA-N	-2	0	344.272	-0.149	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2nc[nH]c21)[C@@H](O)C(=O)[O-]	ZINC001227615758	811931197	/nfs/dbraw/zinc/93/11/97/811931197.db2.gz	FFQKRDYJMLNKJW-AWFVSMACSA-N	-2	0	342.289	-0.917	20	0		EBADRL
COC(=O)c1cc(F)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227772156	811941720	/nfs/dbraw/zinc/94/17/20/811941720.db2.gz	CKAPGSWQTWISQO-MRVPVSSYSA-N	-2	0	338.180	-0.012	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cccnc21)[C@@H](O)C(=O)[O-]	ZINC001228005487	811955936	/nfs/dbraw/zinc/95/59/36/811955936.db2.gz	SKCUCFXPFFUKEI-SSDLBLMSSA-N	-3	0	337.244	-0.828	20	0		EBADRL
COC(=O)c1ccc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228192450	811968040	/nfs/dbraw/zinc/96/80/40/811968040.db2.gz	KPNUCFLKQYOQGI-GZMMTYOYSA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2[nH]cnc21)[C@H](O)C(=O)[O-]	ZINC001228506903	811984307	/nfs/dbraw/zinc/98/43/07/811984307.db2.gz	ACQFAULBBQZORD-DZSWIPIPSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C(Oc1n[nH]c(=O)c2cccnc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001228710143	811995363	/nfs/dbraw/zinc/99/53/63/811995363.db2.gz	KUYQXIQDZKUMHJ-ZCFIWIBFSA-N	-2	0	331.177	-0.894	20	0		EBADRL
O=C1CC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1	ZINC001230144822	812080850	/nfs/dbraw/zinc/08/08/50/812080850.db2.gz	RNPGHDKWHCVXJA-UHFFFAOYSA-N	-2	0	338.315	-0.004	20	0		EBADRL
COC(=O)c1cccc(O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230288187	812099655	/nfs/dbraw/zinc/09/96/55/812099655.db2.gz	YVIWFXKXFDJIKV-XCBNKYQSSA-N	-2	0	342.256	-0.379	20	0		EBADRL
CCOC(=O)c1ccnnc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001230911222	812254493	/nfs/dbraw/zinc/25/44/93/812254493.db2.gz	WSSRSPCTONELMQ-SSDOTTSWSA-N	-2	0	336.193	-0.971	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccnc(-c2ccccn2)n1)[C@@H](O)C(=O)[O-]	ZINC001233992112	812373198	/nfs/dbraw/zinc/37/31/98/812373198.db2.gz	PHTFFIJLJQEEGR-QPUJVOFHSA-N	-2	0	347.283	-0.020	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccnc(-c2ccccn2)n1)[C@@H](O)C(=O)[O-]	ZINC001233992111	812374346	/nfs/dbraw/zinc/37/43/46/812374346.db2.gz	PHTFFIJLJQEEGR-PRHODGIISA-N	-2	0	347.283	-0.020	20	0		EBADRL
O=C(Oc1nc(Cl)nc2[nH]ccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001234482531	812431873	/nfs/dbraw/zinc/43/18/73/812431873.db2.gz	SJPXGDBSQUFXMZ-RXMQYKEDSA-N	-2	0	337.612	-0.013	20	0		EBADRL
CN1CCc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc2C1=O	ZINC001234612501	812442644	/nfs/dbraw/zinc/44/26/44/812442644.db2.gz	ODUIKRPALLVBRM-LLVKDONJSA-N	-2	0	345.244	-0.310	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)NCCOP(=O)([O-])[O-])c1	ZINC001260846802	812847847	/nfs/dbraw/zinc/84/78/47/812847847.db2.gz	QKQMANWNZREMDU-UHFFFAOYSA-N	-2	0	339.262	-0.139	20	0		EBADRL
O=C(Cc1ccc(N2CCNC2=O)cc1)NCCOP(=O)([O-])[O-]	ZINC001182054277	833198741	/nfs/dbraw/zinc/19/87/41/833198741.db2.gz	HTLGSRUKMJSASP-UHFFFAOYSA-N	-2	0	343.276	-0.016	20	0		EBADRL
CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)NCCOP(=O)([O-])[O-]	ZINC001182951408	833270331	/nfs/dbraw/zinc/27/03/31/833270331.db2.gz	DQDPNORTNDNOSL-QMMMGPOBSA-N	-2	0	342.285	-0.560	20	0		EBADRL
CCOC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CO[N-]C2=O)nc1C	ZINC001184977596	833344448	/nfs/dbraw/zinc/34/44/48/833344448.db2.gz	ICHBKMGNOVMQIZ-ZCFIWIBFSA-N	-2	0	335.363	-0.663	20	0		EBADRL
O=C(Nc1ncnc2n[nH]nc21)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148914746	830554256	/nfs/dbraw/zinc/55/42/56/830554256.db2.gz	DSUJDDNMFLVVRG-UHFFFAOYSA-N	-2	0	336.289	-0.048	20	0		EBADRL
NC(=O)c1nccnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148915582	830554777	/nfs/dbraw/zinc/55/47/77/830554777.db2.gz	TVOKDKOQDFBJON-UHFFFAOYSA-N	-2	0	338.301	-0.220	20	0		EBADRL
O=P([O-])([O-])OCCNc1nc(Cl)nc(N2CCOCC2)n1	ZINC001157787302	831592891	/nfs/dbraw/zinc/59/28/91/831592891.db2.gz	GZVCQKYZYKGENJ-UHFFFAOYSA-N	-2	0	339.676	-0.117	20	0		EBADRL
O=C1[N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3c[nH]cn3)ccc21	ZINC001187761585	833966040	/nfs/dbraw/zinc/96/60/40/833966040.db2.gz	UOUKWWPWNHUJGI-UHFFFAOYSA-N	-2	0	328.331	-0.357	20	0		EBADRL
CN(C)C(=O)CN(C)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189923572	834209761	/nfs/dbraw/zinc/20/97/61/834209761.db2.gz	MIZHQPFDGFDVTB-UHFFFAOYSA-N	-2	0	344.345	-0.208	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cnc(-c2ncccn2)nc1	ZINC001190900049	834368572	/nfs/dbraw/zinc/36/85/72/834368572.db2.gz	CEIOYMXTIKZKPN-UHFFFAOYSA-N	-2	0	325.221	-0.227	20	0		EBADRL
COc1ccccc1C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001204738010	836527270	/nfs/dbraw/zinc/52/72/70/836527270.db2.gz	KDUBTZLUABHHEG-TVQRCGJNSA-N	-2	0	340.284	-0.043	20	0		EBADRL
COc1ccccc1C(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001204738009	836527278	/nfs/dbraw/zinc/52/72/78/836527278.db2.gz	KDUBTZLUABHHEG-RNCFNFMXSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C(OCS(=O)(=O)c1ccccc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001206111730	836624862	/nfs/dbraw/zinc/62/48/62/836624862.db2.gz	KQPMWRDKAKFANG-SECBINFHSA-N	-2	0	340.246	-0.569	20	0		EBADRL
CO[C@](C)(C(=O)[O-])C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1	ZINC001327946544	840554486	/nfs/dbraw/zinc/55/44/86/840554486.db2.gz	SIUXXYPGJZWCFH-PSLIRLAXSA-N	-2	0	342.348	-0.600	20	0		EBADRL
NC(=O)[C@@H]1CCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001570925422	948668670	/nfs/dbraw/zinc/66/86/70/948668670.db2.gz	CIMNNTSGURFVDZ-VIFPVBQESA-N	-2	0	329.324	-0.935	20	0		EBADRL
COC(=O)[C@H](NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1)C1CC1	ZINC001570947383	949567333	/nfs/dbraw/zinc/56/73/33/949567333.db2.gz	YODCTOUILZOUOV-LLVKDONJSA-N	-2	0	344.335	-0.344	20	0		EBADRL
O=C([O-])Cn1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1=O	ZINC001595153977	952154306	/nfs/dbraw/zinc/15/43/06/952154306.db2.gz	GIJHBVRXMBTBFE-SECBINFHSA-N	-2	0	347.331	-0.224	20	0		EBADRL
Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)ccc1=O	ZINC001594530224	955522297	/nfs/dbraw/zinc/52/22/97/955522297.db2.gz	GBRIFQIYUTWYMB-UHFFFAOYSA-N	-2	0	327.274	-0.810	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1C(N)=O	ZINC001594549255	955707789	/nfs/dbraw/zinc/70/77/89/955707789.db2.gz	COICHQAVNGDCTI-UHFFFAOYSA-N	-2	0	331.350	-0.426	20	0		EBADRL
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1c[nH]c3nc(=O)[n-]c(=O)c-3c1)C2	ZINC001549218677	958248928	/nfs/dbraw/zinc/24/89/28/958248928.db2.gz	CJRUIMPOOGGDPX-AYVTZFPOSA-N	-2	0	346.299	-0.391	20	0		EBADRL
Cn1ncc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC001574467888	961594868	/nfs/dbraw/zinc/59/48/68/961594868.db2.gz	XARNHRIBECFOSL-POYBYMJQSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@@H]2c2nnn[n-]2)O1	ZINC001571167322	962005903	/nfs/dbraw/zinc/00/59/03/962005903.db2.gz	CIWJVSGLIZCKDA-IVZWLZJFSA-N	-2	0	325.325	-0.488	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](c2cnn(C)c2)C1	ZINC001574169811	962758123	/nfs/dbraw/zinc/75/81/23/962758123.db2.gz	KXHFRHSXOVRQHU-VHSXEESVSA-N	-2	0	339.352	-0.703	20	0		EBADRL
CO[C@@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001604464676	973339249	/nfs/dbraw/zinc/33/92/49/973339249.db2.gz	ZHQPMSQHUUUUSE-GFCCVEGCSA-N	-2	0	342.333	-0.737	20	0		EBADRL
C[C@@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)n1ccnc1	ZINC001592258405	977495767	/nfs/dbraw/zinc/49/57/67/977495767.db2.gz	FLEQJTDRGXMDLV-JTQLQIEISA-N	-2	0	344.393	-0.008	20	0		EBADRL
C[C@H](CS(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1)C(=O)[O-]	ZINC001592798233	979445593	/nfs/dbraw/zinc/44/55/93/979445593.db2.gz	MWSSDHPSPCMVJI-BBBLOLIVSA-N	-2	0	348.377	-0.956	20	0		EBADRL
C[C@@H](CS(=O)(=O)[N-][C@H](CO)C(=O)OCc1ccccc1)C(=O)[O-]	ZINC001592806003	979466220	/nfs/dbraw/zinc/46/62/20/979466220.db2.gz	BEYRVIHOHLAIJA-CMPLNLGQSA-N	-2	0	345.373	-0.269	20	0		EBADRL
CC[C@@](COC)([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001595199585	979942212	/nfs/dbraw/zinc/94/22/12/979942212.db2.gz	LAKOZSHJBDQVEA-NSHDSACASA-N	-2	0	336.322	-0.381	20	0		EBADRL
CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-]	ZINC001595635939	981911191	/nfs/dbraw/zinc/91/11/91/981911191.db2.gz	QKMVEUJYMVTGIY-DTWKUNHWSA-N	-2	0	337.398	-0.217	20	0		EBADRL
Cc1[nH]c(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(C)c1C(=O)[O-]	ZINC001599950407	985598905	/nfs/dbraw/zinc/59/89/05/985598905.db2.gz	IWYMLHZNBFYJFS-UHFFFAOYSA-N	-2	0	334.336	-0.033	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Br)nn1C	ZINC001589490314	987053511	/nfs/dbraw/zinc/05/35/11/987053511.db2.gz	ACRJOHKJNKWLPY-SCSAIBSYSA-N	-2	0	340.155	-0.285	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1	ZINC001589493621	987068649	/nfs/dbraw/zinc/06/86/49/987068649.db2.gz	DRXBSGVCAITNQZ-ZETCQYMHSA-N	-2	0	328.337	-0.117	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12	ZINC001589493992	987069676	/nfs/dbraw/zinc/06/96/76/987069676.db2.gz	GSAGBWFCKPEJAN-RGOKHQFPSA-N	-2	0	332.378	-0.400	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC001589495577	987074507	/nfs/dbraw/zinc/07/45/07/987074507.db2.gz	PBUFGGWBANUISW-MRVPVSSYSA-N	-2	0	341.407	-0.347	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC001589496643	987079677	/nfs/dbraw/zinc/07/96/77/987079677.db2.gz	ZOAVSQROBWVLRV-VGMNWLOBSA-N	-2	0	346.361	-0.919	20	0		EBADRL
CCn1nccc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001597963036	989998467	/nfs/dbraw/zinc/99/84/67/989998467.db2.gz	XERBGUVSJJMIJV-UHFFFAOYSA-N	-2	0	330.366	-0.326	20	0		EBADRL
CCn1[n-]nnc1=NC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001597981967	990048599	/nfs/dbraw/zinc/04/85/99/990048599.db2.gz	IKCSHRJBCVEUGV-JTQLQIEISA-N	-2	0	334.336	-0.115	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC001598470844	992023728	/nfs/dbraw/zinc/02/37/28/992023728.db2.gz	QQHBYBZDJJBPLO-UHFFFAOYSA-N	-2	0	333.370	-0.659	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1=O	ZINC001591505330	992649343	/nfs/dbraw/zinc/64/93/43/992649343.db2.gz	HDYVANPAUNIZML-LLVKDONJSA-N	-2	0	336.352	-0.764	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1=O	ZINC001591505331	992649577	/nfs/dbraw/zinc/64/95/77/992649577.db2.gz	HDYVANPAUNIZML-NSHDSACASA-N	-2	0	336.352	-0.764	20	0		EBADRL
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O	ZINC001598578059	993305175	/nfs/dbraw/zinc/30/51/75/993305175.db2.gz	BNDDOGGQOMSWAW-ZETCQYMHSA-N	-2	0	330.318	-0.349	20	0		EBADRL
COc1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(CC(=O)[O-])c1	ZINC001599616743	994024190	/nfs/dbraw/zinc/02/41/90/994024190.db2.gz	RRGLDSBULLHXCO-SECBINFHSA-N	-2	0	333.318	-0.954	20	0		EBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cn1	ZINC001598656728	994534940	/nfs/dbraw/zinc/53/49/40/994534940.db2.gz	RMGYQHXBVNDMGY-HTQZYQBOSA-N	-2	0	343.361	-0.390	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])n1	ZINC001598659665	994575314	/nfs/dbraw/zinc/57/53/14/994575314.db2.gz	YIPJVWKAZANFQQ-YUMQZZPRSA-N	-2	0	343.361	-0.390	20	0		EBADRL
CNS(=O)(=O)CCCNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598672439	994780976	/nfs/dbraw/zinc/78/09/76/994780976.db2.gz	SDDUXIUHSZYHRK-UHFFFAOYSA-N	-2	0	340.379	-0.496	20	0		EBADRL
CNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc1F	ZINC001598673501	994799875	/nfs/dbraw/zinc/79/98/75/994799875.db2.gz	QSFXCUYRBRNKKU-LBPRGKRZSA-N	-2	0	334.325	-0.701	20	0		EBADRL
CNS(=O)(=O)c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])ccc1F	ZINC001598673500	994800439	/nfs/dbraw/zinc/80/04/39/994800439.db2.gz	QSFXCUYRBRNKKU-GFCCVEGCSA-N	-2	0	334.325	-0.701	20	0		EBADRL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)NCC(F)(F)F	ZINC001593330653	994897409	/nfs/dbraw/zinc/89/74/09/994897409.db2.gz	NJVASUOGUSCRRW-BYPYZUCNSA-N	-2	0	345.255	-0.282	20	0		EBADRL
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001599382266	996876035	/nfs/dbraw/zinc/87/60/35/996876035.db2.gz	WTPFIRYTEBHYSI-CYBMUJFWSA-N	-2	0	345.329	-0.085	20	0		EBADRL
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)[C@@H](C)O	ZINC001598894329	997052287	/nfs/dbraw/zinc/05/22/87/997052287.db2.gz	PREDGLDTFLZCPE-KCJUWKMLSA-N	-2	0	331.346	-0.273	20	0		EBADRL
C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CS2	ZINC001594086068	998007977	/nfs/dbraw/zinc/00/79/77/998007977.db2.gz	VCUHIWALNVWKQI-RDDDGLTNSA-N	-2	0	336.391	-0.639	20	0		EBADRL
CO[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@@](C)(C(=O)[O-])C1	ZINC001599136495	998053329	/nfs/dbraw/zinc/05/33/29/998053329.db2.gz	IQNBLSAMPQHVRL-ISVAXAHUSA-N	-2	0	346.361	-0.024	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(CC(=O)[O-])CCOC2)on1	ZINC001598954557	998217002	/nfs/dbraw/zinc/21/70/02/998217002.db2.gz	YJXASTPBECHVGZ-LLVKDONJSA-N	-2	0	334.306	-0.627	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1)OC	ZINC001599164892	998524422	/nfs/dbraw/zinc/52/44/22/998524422.db2.gz	BDBYUCDAWDZZFG-SNVBAGLBSA-N	-2	0	332.334	-0.499	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccn1)OC	ZINC001599165596	998536793	/nfs/dbraw/zinc/53/67/93/998536793.db2.gz	HZQZNSRNZIJVKI-SECBINFHSA-N	-2	0	332.334	-0.499	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001594209050	998808697	/nfs/dbraw/zinc/80/86/97/998808697.db2.gz	BNGUGRHBTXJBEB-HFBDOXOYSA-N	-2	0	326.349	-0.121	20	0		EBADRL
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001594210189	998816433	/nfs/dbraw/zinc/81/64/33/998816433.db2.gz	PHGICKFXOBBWED-NXEZZACHSA-N	-2	0	329.353	-0.280	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001594210192	998816584	/nfs/dbraw/zinc/81/65/84/998816584.db2.gz	PHGICKFXOBBWED-ZJUUUORDSA-N	-2	0	329.353	-0.280	20	0		EBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-]	ZINC001599007057	998864179	/nfs/dbraw/zinc/86/41/79/998864179.db2.gz	BCNNVKFJPULBMO-RXMQYKEDSA-N	-2	0	345.255	-0.120	20	0		EBADRL
C[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@H]1C(=O)[O-]	ZINC001594388142	999468869	/nfs/dbraw/zinc/46/88/69/999468869.db2.gz	IIKMUWKDFZROAR-UKKRHICBSA-N	-2	0	326.349	-0.123	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC[C@@H]1C(=O)[O-]	ZINC001594453726	999655579	/nfs/dbraw/zinc/65/55/79/999655579.db2.gz	IPDIRHSXDYBSGC-ZNSHCXBVSA-N	-2	0	326.349	-0.123	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001594453723	999655698	/nfs/dbraw/zinc/65/56/98/999655698.db2.gz	IPDIRHSXDYBSGC-CHWFTXMASA-N	-2	0	326.349	-0.123	20	0		EBADRL
O=C([O-])c1ccc(F)c(S(=O)(=O)NCC[P@](=O)([O-])O)c1	ZINC001260218180	1130542872	/nfs/dbraw/zinc/54/28/72/1130542872.db2.gz	WTKVLRFXTUBPEG-UHFFFAOYSA-N	-2	0	327.226	-0.020	20	0		EBADRL
C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001363281040	1131868935	/nfs/dbraw/zinc/86/89/35/1131868935.db2.gz	DHBBGJHDLJZVDX-JTQLQIEISA-N	-2	0	335.242	-0.434	20	0		EBADRL
O=C([O-])[C@H]1COCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000566359211	376760530	/nfs/dbraw/zinc/76/05/30/376760530.db2.gz	SQDHNHCCZMMLNG-SNVBAGLBSA-N	-2	0	325.346	-0.206	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000596034808	378050956	/nfs/dbraw/zinc/05/09/56/378050956.db2.gz	MCPDQXNYBRLGJF-ZETCQYMHSA-N	-2	0	349.317	-0.172	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274883415	379720379	/nfs/dbraw/zinc/72/03/79/379720379.db2.gz	DJUNMVKZTLGOAC-YFKPBYRVSA-N	-2	0	325.730	-0.412	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000274991791	379728670	/nfs/dbraw/zinc/72/86/70/379728670.db2.gz	FCODDFFFBNYQTC-GFCCVEGCSA-N	-2	0	337.350	-0.479	20	0		EBADRL
Cc1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000547573401	380147338	/nfs/dbraw/zinc/14/73/38/380147338.db2.gz	QIJHFAIUIZEILB-MRVPVSSYSA-N	-2	0	344.345	-0.452	20	0		EBADRL
CCn1cncc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000547602078	380148814	/nfs/dbraw/zinc/14/88/14/380148814.db2.gz	RPUJAQNWRHSKKI-LBPRGKRZSA-N	-2	0	331.350	-0.157	20	0		EBADRL
CCc1noc2ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000548203246	380188096	/nfs/dbraw/zinc/18/80/96/380188096.db2.gz	PGYBBXGTESAKTK-SECBINFHSA-N	-2	0	343.317	-0.009	20	0		EBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548210057	380189793	/nfs/dbraw/zinc/18/97/93/380189793.db2.gz	BEUFJSLBRNNMFQ-HLTSFMKQSA-N	-2	0	337.350	-0.435	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@@H]1C(=O)[O-]	ZINC000548249691	380193404	/nfs/dbraw/zinc/19/34/04/380193404.db2.gz	DHIWKRZEIDMBBM-MXWKQRLJSA-N	-2	0	335.378	-0.007	20	0		EBADRL
COCCOc1ccccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548529462	380213191	/nfs/dbraw/zinc/21/31/91/380213191.db2.gz	ISQIGDAXDRZAGV-VIFPVBQESA-N	-2	0	347.345	-0.082	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000368408186	380506422	/nfs/dbraw/zinc/50/64/22/380506422.db2.gz	WLLYWIALQNZCLR-QMMMGPOBSA-N	-2	0	331.350	-0.184	20	0		EBADRL
COc1ccc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1	ZINC000576044104	380756247	/nfs/dbraw/zinc/75/62/47/380756247.db2.gz	IMZAMDUFVWFWBG-LBPRGKRZSA-N	-2	0	332.334	-0.066	20	0		EBADRL
CCOc1ccncc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000582849120	381082191	/nfs/dbraw/zinc/08/21/91/381082191.db2.gz	SBUAVLPPEHOHDJ-QMMMGPOBSA-N	-2	0	332.334	-0.066	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCC2CC2)C[C@@H]1C(=O)[O-]	ZINC000583807619	381145261	/nfs/dbraw/zinc/14/52/61/381145261.db2.gz	SNELQGPEUHNIDU-MNOVXSKESA-N	-2	0	335.378	-0.150	20	0		EBADRL
Cn1ncc(Cl)c1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000227864182	381234269	/nfs/dbraw/zinc/23/42/69/381234269.db2.gz	YJPRQZITBXBKCR-LURJTMIESA-N	-2	0	325.730	-0.330	20	0		EBADRL
C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)CCO1	ZINC000571805765	381620229	/nfs/dbraw/zinc/62/02/29/381620229.db2.gz	FOCWAVFOEPPLDS-CHWFTXMASA-N	-2	0	335.378	-0.009	20	0		EBADRL
COC(=O)c1ccc(F)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000275033799	292012249	/nfs/dbraw/zinc/01/22/49/292012249.db2.gz	UMCZGLSVFVONFG-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275202614	154642414	/nfs/dbraw/zinc/64/24/14/154642414.db2.gz	ZBKRAFMNELNWRJ-LBPRGKRZSA-N	-2	0	337.350	-0.479	20	0		EBADRL
Cn1cnc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])CC2CC2)c1	ZINC000653325092	419215663	/nfs/dbraw/zinc/21/56/63/419215663.db2.gz	LOPLBURZKAUVFM-UHFFFAOYSA-N	-2	0	330.366	-0.978	20	0		EBADRL
CCOC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cn1C	ZINC000275039694	419325336	/nfs/dbraw/zinc/32/53/36/419325336.db2.gz	VIPMUCKLSJUYEQ-UHFFFAOYSA-N	-2	0	348.333	-0.638	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000656510408	420898232	/nfs/dbraw/zinc/89/82/32/420898232.db2.gz	LXSARKBZHPZWPW-JTQLQIEISA-N	-2	0	344.345	-0.310	20	0		EBADRL
CCCc1nc(=NC(=O)CNS(=O)(=O)CCCOC)s[n-]1	ZINC000433192491	265185382	/nfs/dbraw/zinc/18/53/82/265185382.db2.gz	ZFAYCXVYIKOJSA-UHFFFAOYSA-N	-2	0	336.439	-0.193	20	0		EBADRL
C[C@@](O)(CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000262781624	297850939	/nfs/dbraw/zinc/85/09/39/297850939.db2.gz	JDZIYWAJWYYBFY-IAQYHMDHSA-N	-2	0	335.316	-0.342	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]c2cnn(CC(N)=O)c2)cc1C(=O)[O-]	ZINC000319806384	545732968	/nfs/dbraw/zinc/73/29/68/545732968.db2.gz	JZTRVWBXSYVHLK-UHFFFAOYSA-N	-2	0	341.349	-0.311	20	0		EBADRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000729661993	582699692	/nfs/dbraw/zinc/69/96/92/582699692.db2.gz	FSVGNCAXTBJBPX-UHFFFAOYSA-N	-2	0	336.347	-0.766	20	0		EBADRL
Cn1c(=O)c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2[n-]c1=S	ZINC000748057718	583117493	/nfs/dbraw/zinc/11/74/93/583117493.db2.gz	PWIPEHGJVQOZSN-UHFFFAOYSA-N	-2	0	332.345	-0.024	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1C(=O)[O-]	ZINC000748674239	583122581	/nfs/dbraw/zinc/12/25/81/583122581.db2.gz	RBWPVDOPMOAWKS-VIFPVBQESA-N	-2	0	330.318	-0.700	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2nnco2)c1)C(=O)[O-]	ZINC000776443652	583404452	/nfs/dbraw/zinc/40/44/52/583404452.db2.gz	FYLCJOPYTGOVSE-VIFPVBQESA-N	-2	0	341.301	-0.057	20	0		EBADRL
COc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cnc1Cl	ZINC000776442934	583404457	/nfs/dbraw/zinc/40/44/57/583404457.db2.gz	AQWBYQDVWVPULK-ZCFIWIBFSA-N	-2	0	338.725	-0.050	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1	ZINC000823701223	583835910	/nfs/dbraw/zinc/83/59/10/583835910.db2.gz	BHHQLSDNZLQWRY-WPRPVWTQSA-N	-2	0	330.366	-0.278	20	0		EBADRL
CC(C)N(C)S(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000824329894	583843878	/nfs/dbraw/zinc/84/38/78/583843878.db2.gz	NCXPDFDATMDLKU-SNVBAGLBSA-N	-2	0	337.398	-0.153	20	0		EBADRL
C[C@@H](C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1cnn(C)c1	ZINC000826007925	583873732	/nfs/dbraw/zinc/87/37/32/583873732.db2.gz	CYFMNRPUPZOQSU-SECBINFHSA-N	-2	0	344.393	-0.319	20	0		EBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000826111077	583879158	/nfs/dbraw/zinc/87/91/58/583879158.db2.gz	YLKDZCHUXZRUGZ-YIZRAAEISA-N	-2	0	340.340	-0.397	20	0		EBADRL
CCOCCS(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000827406021	583920873	/nfs/dbraw/zinc/92/08/73/583920873.db2.gz	XXMSKILPGXYZSX-SECBINFHSA-N	-2	0	340.423	-0.046	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000829002756	583949905	/nfs/dbraw/zinc/94/99/05/583949905.db2.gz	XUWFEHVSXYOHNA-VHSXEESVSA-N	-2	0	338.382	-0.468	20	0		EBADRL
COc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000829537313	583954155	/nfs/dbraw/zinc/95/41/55/583954155.db2.gz	KDJSQMDKPCATFK-MRVPVSSYSA-N	-2	0	329.334	-0.098	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)n[n-]1	ZINC000829701077	583957461	/nfs/dbraw/zinc/95/74/61/583957461.db2.gz	XUXXKCGZQGEPTE-ZETCQYMHSA-N	-2	0	347.353	-0.694	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)o1	ZINC000829885473	583959636	/nfs/dbraw/zinc/95/96/36/583959636.db2.gz	NOODCIMHLFKTHK-UHFFFAOYSA-N	-2	0	344.305	-0.067	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CN(C(=O)[O-])CCO1	ZINC000830857115	583971635	/nfs/dbraw/zinc/97/16/35/583971635.db2.gz	QITGBRMNFVCOEO-VIFPVBQESA-N	-2	0	346.365	-0.779	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1	ZINC000831016181	583974408	/nfs/dbraw/zinc/97/44/08/583974408.db2.gz	YWWDKISTIJFVCP-UHFFFAOYSA-N	-2	0	339.333	-0.477	20	0		EBADRL
Cn1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1=O	ZINC000831022947	583974627	/nfs/dbraw/zinc/97/46/27/583974627.db2.gz	TXKMXYUTJOSUMO-MRVPVSSYSA-N	-2	0	329.334	-0.803	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cn1C	ZINC000831354376	583981820	/nfs/dbraw/zinc/98/18/20/583981820.db2.gz	ZOERSLSMIYIFME-UHFFFAOYSA-N	-2	0	342.333	-0.106	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)C1	ZINC000831441948	583982830	/nfs/dbraw/zinc/98/28/30/583982830.db2.gz	TYXUIIORZGZQCW-JTQLQIEISA-N	-2	0	343.361	-0.563	20	0		EBADRL
O=C([O-])NCc1nc(C(=O)[N-]S(=O)(=O)c2cnccn2)cs1	ZINC000832735383	584001530	/nfs/dbraw/zinc/00/15/30/584001530.db2.gz	YCLNLDHFIODBCF-UHFFFAOYSA-N	-2	0	343.346	-0.181	20	0		EBADRL
O=C([O-])c1ccsc1N1CC[C@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC000833355082	584009001	/nfs/dbraw/zinc/00/90/01/584009001.db2.gz	HTKIMZRJNBIEKN-ZETCQYMHSA-N	-2	0	336.329	-0.456	20	0		EBADRL
C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	ZINC000833590336	584012117	/nfs/dbraw/zinc/01/21/17/584012117.db2.gz	POBZSVBYBOIMTF-ONGXEEELSA-N	-2	0	334.394	-0.041	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CC[C@H]1CCN(C(=O)[O-])C1	ZINC000833883285	584018757	/nfs/dbraw/zinc/01/87/57/584018757.db2.gz	HPTUNSFZKLGUPY-JTQLQIEISA-N	-2	0	337.398	-0.294	20	0		EBADRL
O=C([O-])N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000834137118	584027009	/nfs/dbraw/zinc/02/70/09/584027009.db2.gz	ZVFKQAUGHRKJNM-RNFRBKRXSA-N	-2	0	330.309	-0.097	20	0		EBADRL
Cn1nncc1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851700574	584200562	/nfs/dbraw/zinc/20/05/62/584200562.db2.gz	CAFASJPXBFYZQP-XPUUQOCRSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000854610761	584244353	/nfs/dbraw/zinc/24/43/53/584244353.db2.gz	MDGJJBVEOIWXFP-UHFFFAOYSA-N	-2	0	343.321	-0.549	20	0		EBADRL
Cn1nnnc1-c1cccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c1	ZINC000863953065	584380807	/nfs/dbraw/zinc/38/08/07/584380807.db2.gz	JXEFTPVJBDBXSR-UHFFFAOYSA-N	-2	0	339.333	-0.453	20	0		EBADRL
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863955912	584381092	/nfs/dbraw/zinc/38/10/92/584381092.db2.gz	DJDCJPGXUJHBLI-UHFFFAOYSA-N	-2	0	333.366	-0.549	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000863956141	584381157	/nfs/dbraw/zinc/38/11/57/584381157.db2.gz	JPBBKFLCZBLNGL-NSHDSACASA-N	-2	0	337.394	-0.014	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)CCOCC1	ZINC000863958244	584381279	/nfs/dbraw/zinc/38/12/79/584381279.db2.gz	QQKDQHVMUAIUGY-SNVBAGLBSA-N	-2	0	335.378	-0.117	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)c(C)nn1C	ZINC000863959409	584381474	/nfs/dbraw/zinc/38/14/74/584381474.db2.gz	DBTYFNLHNSSOGS-MRVPVSSYSA-N	-2	0	331.350	-0.347	20	0		EBADRL
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863961908	584381696	/nfs/dbraw/zinc/38/16/96/584381696.db2.gz	SKFNXQNFIZNZDU-QMMMGPOBSA-N	-2	0	325.339	-0.735	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)OC	ZINC000863964152	584381877	/nfs/dbraw/zinc/38/18/77/584381877.db2.gz	FRLYYJOQCREHQD-RKDXNWHRSA-N	-2	0	325.383	-0.159	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1C(N)=O	ZINC000740148909	597106572	/nfs/dbraw/zinc/10/65/72/597106572.db2.gz	VCLUFQLNTILSHS-UHFFFAOYSA-N	-2	0	346.386	-0.283	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCn1ccccc1=O	ZINC000739691334	600273326	/nfs/dbraw/zinc/27/33/26/600273326.db2.gz	HJWZIHPCZUKAAL-UHFFFAOYSA-N	-2	0	330.362	-0.061	20	0		EBADRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000740316013	600377435	/nfs/dbraw/zinc/37/74/35/600377435.db2.gz	KYOFZXWPXZQSMW-MNOVXSKESA-N	-2	0	338.341	-0.502	20	0		EBADRL
Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn12	ZINC000738936229	600461586	/nfs/dbraw/zinc/46/15/86/600461586.db2.gz	BPPURLSUQSNIKI-UHFFFAOYSA-N	-2	0	326.334	-0.038	20	0		EBADRL
Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1C	ZINC000738989151	600464224	/nfs/dbraw/zinc/46/42/24/600464224.db2.gz	CYMJBXBOVCJJME-UHFFFAOYSA-N	-2	0	336.391	-0.163	20	0		EBADRL
O=C([O-])N[C@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000740538793	602500780	/nfs/dbraw/zinc/50/07/80/602500780.db2.gz	YXQUMEDVBCHLJM-VXGBXAGGSA-N	-2	0	346.347	-0.022	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000740010392	602501320	/nfs/dbraw/zinc/50/13/20/602501320.db2.gz	BZUSCZXTLNDRDO-YUMQZZPRSA-N	-2	0	330.370	-0.511	20	0		EBADRL
O=C([O-])N(CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CC1	ZINC000740388137	602547024	/nfs/dbraw/zinc/54/70/24/602547024.db2.gz	QCCPFDDTGRMRGZ-UHFFFAOYSA-N	-2	0	334.336	-0.280	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])c1	ZINC000739788430	602623048	/nfs/dbraw/zinc/62/30/48/602623048.db2.gz	LAVPBANHUOPQAA-UHFFFAOYSA-N	-2	0	330.318	-0.112	20	0		EBADRL
COc1cccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000739954922	602676653	/nfs/dbraw/zinc/67/66/53/602676653.db2.gz	HPCLRPISFWJPEC-UHFFFAOYSA-N	-2	0	332.334	-0.216	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000740009187	602999526	/nfs/dbraw/zinc/99/95/26/602999526.db2.gz	SRTCYHDTJANJRH-YUMQZZPRSA-N	-2	0	326.396	-0.389	20	0		EBADRL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000740378239	603155023	/nfs/dbraw/zinc/15/50/23/603155023.db2.gz	OMOIMAVDATWRBL-RYUDHWBXSA-N	-2	0	338.316	-0.109	20	0		EBADRL
Cc1c(-c2noc(-c3cnc([O-])n(C)c3=O)n2)c([O-])nc(=O)n1C	ZINC000904897830	650050323	/nfs/dbraw/zinc/05/03/23/650050323.db2.gz	KSTQOJMBMFCSDJ-UHFFFAOYSA-N	-2	0	332.276	-0.689	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC[C@H]2C)c1[O-]	ZINC000965916996	724539951	/nfs/dbraw/zinc/53/99/51/724539951.db2.gz	NVNRQPVTSSEJHQ-VXNVDRBHSA-N	-2	0	335.368	-0.112	20	0		EBADRL
O=C([O-])N(CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C[C@@H]1CCCO1	ZINC000740491534	719420401	/nfs/dbraw/zinc/42/04/01/719420401.db2.gz	LZUXLSRYFQWAMY-VHSXEESVSA-N	-2	0	340.340	-0.741	20	0		EBADRL
COC(=O)c1ccoc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223069075	811681217	/nfs/dbraw/zinc/68/12/17/811681217.db2.gz	ZYIMCGRVUWBNLJ-OIBJUYFYSA-N	-2	0	330.245	-0.354	20	0		EBADRL
O=C(OCc1ccc(-n2cncn2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001223384545	811701676	/nfs/dbraw/zinc/70/16/76/811701676.db2.gz	QPBPTQFCBJVWSG-LLVKDONJSA-N	-2	0	343.232	-0.219	20	0		EBADRL
COC(=O)c1cncc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001223493838	811709173	/nfs/dbraw/zinc/70/91/73/811709173.db2.gz	SVIRDCBGQCZBSA-GXSJLCMTSA-N	-2	0	341.272	-0.552	20	0		EBADRL
CN(C)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223511817	811710487	/nfs/dbraw/zinc/71/04/87/811710487.db2.gz	HLLBBJNQZXQFPE-CABZTGNLSA-N	-2	0	326.305	-0.273	20	0		EBADRL
CN(C)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223511818	811711389	/nfs/dbraw/zinc/71/13/89/811711389.db2.gz	HLLBBJNQZXQFPE-JOYOIKCWSA-N	-2	0	326.305	-0.273	20	0		EBADRL
CC(=O)N1CCC(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC1	ZINC001224285496	811754342	/nfs/dbraw/zinc/75/43/42/811754342.db2.gz	ZWMRYGSYBVSWGE-PWSUYJOCSA-N	-2	0	331.321	-0.676	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)OCc1ccccc1)[C@H](O)C(=O)[O-]	ZINC001224331868	811757567	/nfs/dbraw/zinc/75/75/67/811757567.db2.gz	MXUIMRINQYMVTP-MFKMUULPSA-N	-2	0	340.284	-0.191	20	0		EBADRL
CNC(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001225420207	811809799	/nfs/dbraw/zinc/80/97/99/811809799.db2.gz	VJBFPGSUPNAJCY-KOLCDFICSA-N	-2	0	325.273	-0.512	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-n2cnnn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001225486671	811813777	/nfs/dbraw/zinc/81/37/77/811813777.db2.gz	VCCIFTYKLFNPMP-GXSJLCMTSA-N	-2	0	336.260	-0.896	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001225679218	811823463	/nfs/dbraw/zinc/82/34/63/811823463.db2.gz	QJHYDGGEBXXOJW-GXSJLCMTSA-N	-2	0	326.257	-0.085	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccnc(C(F)(F)F)n1)[C@H](O)C(=O)[O-]	ZINC001225833212	811831932	/nfs/dbraw/zinc/83/19/32/811831932.db2.gz	ARBDYYWRUSOFLN-FFWSUHOLSA-N	-2	0	338.194	-0.063	20	0		EBADRL
COC(=O)c1cc(O)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225973332	811840288	/nfs/dbraw/zinc/84/02/88/811840288.db2.gz	KFJASYSSORCACV-KWQFWETISA-N	-2	0	342.256	-0.379	20	0		EBADRL
COC(=O)c1sccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226266701	811855839	/nfs/dbraw/zinc/85/58/39/811855839.db2.gz	BMJPGZJHAVXEPE-XNCJUZBTSA-N	-2	0	332.286	-0.024	20	0		EBADRL
CCOC(=O)c1cncnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226551354	811869839	/nfs/dbraw/zinc/86/98/39/811869839.db2.gz	ISRLMWIRRNMNHY-HZGVNTEJSA-N	-2	0	342.260	-0.905	20	0		EBADRL
COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001226935094	811892193	/nfs/dbraw/zinc/89/21/93/811892193.db2.gz	QSZZYGDAXCDLAW-MFKMUULPSA-N	-2	0	340.284	-0.156	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ccccc21)[C@@H](O)C(=O)[O-]	ZINC001226980317	811894853	/nfs/dbraw/zinc/89/48/53/811894853.db2.gz	IBGYRLYFWPYAIL-OIBJUYFYSA-N	-3	0	336.256	-0.223	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2ccc[n+]([O-])c21)[C@@H](O)C(=O)[O-]	ZINC001227003132	811896711	/nfs/dbraw/zinc/89/67/11/811896711.db2.gz	FGJLEBFCKUVGQX-TVQRCGJNSA-N	-2	0	335.268	-0.085	20	0		EBADRL
NC(=O)Nc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001227200875	811910417	/nfs/dbraw/zinc/91/04/17/811910417.db2.gz	XLGXVEWKNIIVKS-WCBMZHEXSA-N	-2	0	326.261	-0.381	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001227561572	811928784	/nfs/dbraw/zinc/92/87/84/811928784.db2.gz	MLYBQVJBSNIKPT-ONGXEEELSA-N	-2	0	326.257	-0.085	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl	ZINC001227953384	811952384	/nfs/dbraw/zinc/95/23/84/811952384.db2.gz	KBDZEGDFJKXREY-GMSGAONNSA-N	-2	0	345.691	-0.119	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1C	ZINC001228708055	811995477	/nfs/dbraw/zinc/99/54/77/811995477.db2.gz	LCIMBCFCQJQFGZ-KCJUWKMLSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)c2cccnc21)[C@H](O)C(=O)[O-]	ZINC001228709998	811995568	/nfs/dbraw/zinc/99/55/68/811995568.db2.gz	KGIZHOVRHYYQEC-RCOVLWMOSA-N	-2	0	337.244	-0.828	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1C	ZINC001228708035	811995674	/nfs/dbraw/zinc/99/56/74/811995674.db2.gz	LCIMBCFCQJQFGZ-GZMMTYOYSA-N	-2	0	341.272	-0.382	20	0		EBADRL
CSc1cc(C)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001229076450	812012148	/nfs/dbraw/zinc/01/21/48/812012148.db2.gz	UNVWHRIQVDIVNZ-MUWHJKNJSA-N	-2	0	330.318	-0.051	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1CCNC2=O)[C@H](O)C(=O)[O-]	ZINC001229521622	812038037	/nfs/dbraw/zinc/03/80/37/812038037.db2.gz	KKDOTGDSSBDTSQ-CABZTGNLSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccccc1-c1nn[nH]n1)[C@@H](O)C(=O)[O-]	ZINC001229950625	812064692	/nfs/dbraw/zinc/06/46/92/812064692.db2.gz	NDPPTJSKMDWAEW-OIBJUYFYSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C(Oc1cccc(-c2nn[nH]n2)c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001231121860	812274745	/nfs/dbraw/zinc/27/47/45/812274745.db2.gz	OGEBRDWZMKTQFZ-MRVPVSSYSA-N	-2	0	330.193	-0.758	20	0		EBADRL
COc1ccc(C(N)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001231291323	812289409	/nfs/dbraw/zinc/28/94/09/812289409.db2.gz	VNTFRNMKBDQPLZ-KCJUWKMLSA-N	-2	0	341.272	-0.764	20	0		EBADRL
COC(=O)c1cc(C)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001234002245	812375170	/nfs/dbraw/zinc/37/51/70/812375170.db2.gz	ADMDJLPAQSJSDE-LDYMZIIASA-N	-2	0	341.272	-0.382	20	0		EBADRL
NC(=O)c1c(F)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F	ZINC001234593496	812442394	/nfs/dbraw/zinc/44/23/94/812442394.db2.gz	RLHRIRJZMVKNGU-GPXNAGAYSA-N	-2	0	347.226	-0.495	20	0		EBADRL
COCc1ncc(F)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001234879631	812448277	/nfs/dbraw/zinc/44/82/77/812448277.db2.gz	GQYNNMHCBKUWKY-ZCFIWIBFSA-N	-2	0	326.173	-0.862	20	0		EBADRL
COC(=O)CS(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001259025845	812804422	/nfs/dbraw/zinc/80/44/22/812804422.db2.gz	BIBANMBYALEYOY-UHFFFAOYSA-N	-2	0	334.331	-0.967	20	0		EBADRL
O=C([O-])COc1ccc(OCC(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001183910661	833312116	/nfs/dbraw/zinc/31/21/16/833312116.db2.gz	WBFIMLOUYVOZMB-UHFFFAOYSA-N	-3	0	349.232	-0.246	20	0		EBADRL
COc1cc(CC(=O)C(=O)NCCOP(=O)([O-])[O-])ccc1O	ZINC001184255485	833325033	/nfs/dbraw/zinc/32/50/33/833325033.db2.gz	OFMZYYOXSICPPG-UHFFFAOYSA-N	-2	0	333.233	-0.262	20	0		EBADRL
NC(=O)c1n[nH]cc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148915679	830555240	/nfs/dbraw/zinc/55/52/40/830555240.db2.gz	YBBFBTPZGUKLLJ-UHFFFAOYSA-N	-2	0	326.290	-0.287	20	0		EBADRL
C[C@@]1(c2cccnc2NCCOP(=O)([O-])[O-])NC(=O)NC1=O	ZINC001168589398	832427724	/nfs/dbraw/zinc/42/77/24/832427724.db2.gz	JEGUBDGUCXWRFH-NSHDSACASA-N	-2	0	330.237	-0.343	20	0		EBADRL
O=C1COCCN1Cc1cncc(NCCOP(=O)([O-])[O-])c1	ZINC001168591902	832428010	/nfs/dbraw/zinc/42/80/10/832428010.db2.gz	HUNLRLYESQMKFX-UHFFFAOYSA-N	-2	0	331.265	-0.038	20	0		EBADRL
O=C([O-])c1cc(C(=O)N[C@H]2COC(=O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189933887	834210686	/nfs/dbraw/zinc/21/06/86/834210686.db2.gz	OVGPMNBOLBLZPS-MRVPVSSYSA-N	-2	0	329.286	-0.323	20	0		EBADRL
COC(=O)c1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001206435374	836648083	/nfs/dbraw/zinc/64/80/83/836648083.db2.gz	LAUWXHWUULLHRR-SNVBAGLBSA-N	-2	0	334.217	-0.013	20	0		EBADRL
CN(C)S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC001324034592	839583502	/nfs/dbraw/zinc/58/35/02/839583502.db2.gz	OYOGBGKJWQVLQC-UHFFFAOYSA-N	-2	0	342.402	-0.242	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)CC1	ZINC001330254337	841150641	/nfs/dbraw/zinc/15/06/41/841150641.db2.gz	PNDIRHGCSLJPBO-NSHDSACASA-N	-2	0	332.378	-0.446	20	0		EBADRL
O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC001595027648	951353448	/nfs/dbraw/zinc/35/34/48/951353448.db2.gz	AKMOWFBTTYVNSA-VIFPVBQESA-N	-2	0	331.350	-0.096	20	0		EBADRL
O=C([O-])Cn1cccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1=O	ZINC001595153979	952154170	/nfs/dbraw/zinc/15/41/70/952154170.db2.gz	GIJHBVRXMBTBFE-VIFPVBQESA-N	-2	0	347.331	-0.224	20	0		EBADRL
COC(=O)CC(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001593829253	955134425	/nfs/dbraw/zinc/13/44/25/955134425.db2.gz	FPZVLDYLDDGNNE-HZGVNTEJSA-N	-2	0	340.254	-0.328	20	0		EBADRL
COC(=O)CC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC001593846482	955420528	/nfs/dbraw/zinc/42/05/28/955420528.db2.gz	RJEIHOPDOXNWQR-LURJTMIESA-N	-2	0	342.270	-0.034	20	0		EBADRL
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001594529863	955516369	/nfs/dbraw/zinc/51/63/69/955516369.db2.gz	NZFUMSZOQKFQAC-UHFFFAOYSA-N	-2	0	342.333	-0.111	20	0		EBADRL
COC(=O)c1cncc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1	ZINC001593893949	955808553	/nfs/dbraw/zinc/80/85/53/955808553.db2.gz	MELBZYSMHWJTQC-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C1	ZINC001589196290	956609893	/nfs/dbraw/zinc/60/98/93/956609893.db2.gz	VUZYGGJYWRBWHU-CYBMUJFWSA-N	-2	0	328.346	-0.024	20	0		EBADRL
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2	ZINC001594686666	956713625	/nfs/dbraw/zinc/71/36/25/956713625.db2.gz	CALWNSIHFUPMEJ-SDBXPKJASA-N	-2	0	326.309	-0.971	20	0		EBADRL
C[C@@]1(NC(=O)C(F)(F)F)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1	ZINC001589246816	956935857	/nfs/dbraw/zinc/93/58/57/956935857.db2.gz	YCBUYLUPURUPKM-PRHODGIISA-N	-2	0	337.298	-0.185	20	0		EBADRL
COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)n1	ZINC001594122234	958605811	/nfs/dbraw/zinc/60/58/11/958605811.db2.gz	WFTYNCQJZOJWOX-UHFFFAOYSA-N	-2	0	327.274	-0.105	20	0		EBADRL
CC(=O)NCCN(C(=O)CSc1n[nH]c(=O)[n-]1)[C@@H](C)C(=O)[O-]	ZINC001588508012	958745900	/nfs/dbraw/zinc/74/59/00/958745900.db2.gz	YMOYZNNUYOSFAD-LURJTMIESA-N	-2	0	331.354	-0.960	20	0		EBADRL
CC(C)(C(=O)[O-])n1ccc(NC(=O)C(=O)[N-]OC2CCOCC2)n1	ZINC001588619788	959537738	/nfs/dbraw/zinc/53/77/38/959537738.db2.gz	AYGWZCJEKMIAFN-UHFFFAOYSA-N	-2	0	340.336	-0.132	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])cn1	ZINC001571185090	962191333	/nfs/dbraw/zinc/19/13/33/962191333.db2.gz	LYKZSJLATCXBHT-WCBMZHEXSA-N	-2	0	329.334	-0.575	20	0		EBADRL
C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC001571186685	962214849	/nfs/dbraw/zinc/21/48/49/962214849.db2.gz	TZFNYHFNXOHWMT-QMMMGPOBSA-N	-2	0	329.382	-0.390	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)on1	ZINC001571188302	962237556	/nfs/dbraw/zinc/23/75/56/962237556.db2.gz	ZITQPMAIPKZPGT-LTMDPNIMSA-N	-2	0	330.318	-0.007	20	0		EBADRL
CC[C@@H]1COCCN1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001571210060	962435559	/nfs/dbraw/zinc/43/55/59/962435559.db2.gz	BGABEIBYVMOKMS-SECBINFHSA-N	-2	0	333.366	-0.238	20	0		EBADRL
CC[C@H]1COCCN1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001571210061	962436056	/nfs/dbraw/zinc/43/60/56/962436056.db2.gz	BGABEIBYVMOKMS-VIFPVBQESA-N	-2	0	333.366	-0.238	20	0		EBADRL
Cn1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1	ZINC001605496371	973659809	/nfs/dbraw/zinc/65/98/09/973659809.db2.gz	BGHVJGIGYSDBPJ-DTWKUNHWSA-N	-2	0	335.286	-0.089	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC001592359897	977844515	/nfs/dbraw/zinc/84/45/15/977844515.db2.gz	NIYGYNGMGYQALS-RKDXNWHRSA-N	-2	0	331.350	-0.240	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-])C(=O)[O-]	ZINC001592809597	979490036	/nfs/dbraw/zinc/49/00/36/979490036.db2.gz	XQJIGCIDZAVGER-SVRRBLITSA-N	-2	0	339.757	-0.370	20	0		EBADRL
CC[C@](COC)([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC	ZINC001595199378	979938847	/nfs/dbraw/zinc/93/88/47/979938847.db2.gz	CQKNYUXKFXQIAC-LLVKDONJSA-N	-2	0	336.322	-0.381	20	0		EBADRL
CCOC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])CCOCC1	ZINC001596541816	984383375	/nfs/dbraw/zinc/38/33/75/984383375.db2.gz	CWSCLXXBYWCOFN-MRVPVSSYSA-N	-2	0	337.350	-0.735	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-]	ZINC001596629392	984611552	/nfs/dbraw/zinc/61/15/52/984611552.db2.gz	QVUIHGRZPXNUTO-UHFFFAOYSA-N	-2	0	329.330	-0.064	20	0		EBADRL
CC(=O)N(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001589042405	985112992	/nfs/dbraw/zinc/11/29/92/985112992.db2.gz	YYDLGMOYDIBYRG-UHFFFAOYSA-N	-2	0	328.346	-0.191	20	0		EBADRL
CC(=O)N1CCN(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	ZINC001589085567	985258095	/nfs/dbraw/zinc/25/80/95/985258095.db2.gz	XBUYOCNMSGEABU-WDEREUQCSA-N	-2	0	347.393	-0.988	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001596969034	986188813	/nfs/dbraw/zinc/18/88/13/986188813.db2.gz	UHEGBBWULLJYQS-MRVPVSSYSA-N	-2	0	325.325	-0.217	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])n1nnnc1C(C)(C)C	ZINC001589422039	986661073	/nfs/dbraw/zinc/66/10/73/986661073.db2.gz	ABMFMLFRZVJBNG-SSDOTTSWSA-N	-2	0	333.370	-0.548	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC001589454067	986873053	/nfs/dbraw/zinc/87/30/53/986873053.db2.gz	KYCRRMQBPSRDBP-SFYZADRCSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC001589455379	986895178	/nfs/dbraw/zinc/89/51/78/986895178.db2.gz	ZEVRRUNAZVWACN-SFYZADRCSA-N	-2	0	328.346	-0.046	20	0		EBADRL
C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001594656739	986910003	/nfs/dbraw/zinc/91/00/03/986910003.db2.gz	DELLUQJBGHYAEI-CBAPKCEASA-N	-2	0	338.407	-0.124	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(Br)nn1C	ZINC001589490313	987053355	/nfs/dbraw/zinc/05/33/55/987053355.db2.gz	ACRJOHKJNKWLPY-BYPYZUCNSA-N	-2	0	340.155	-0.285	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccccc2C(=O)O1	ZINC001589493005	987067108	/nfs/dbraw/zinc/06/71/08/987067108.db2.gz	BCOMLYSQSUFFLX-GMSGAONNSA-N	-2	0	327.314	-0.313	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN(C)C(=O)c1cccs1	ZINC001589496515	987078946	/nfs/dbraw/zinc/07/89/46/987078946.db2.gz	XPVQUJGIWRNLIV-SSDOTTSWSA-N	-2	0	334.375	-0.261	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2C(=O)[O-])C[C@@H](C(=O)[O-])O1	ZINC001599851848	989025338	/nfs/dbraw/zinc/02/53/38/989025338.db2.gz	SJZWGFANSGGQLO-APPZFPTMSA-N	-2	0	337.288	-0.581	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC001599683767	990953230	/nfs/dbraw/zinc/95/32/30/990953230.db2.gz	YKUGBHUUPIZQLQ-VFUUJBHISA-N	-2	0	327.358	-0.151	20	0		EBADRL
COc1nc(C(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)cc(=O)[n-]1	ZINC001599731539	991715649	/nfs/dbraw/zinc/71/56/49/991715649.db2.gz	BLIGQZLKNVXSGJ-UHFFFAOYSA-N	-2	0	339.304	-0.329	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1	ZINC001598470066	992013087	/nfs/dbraw/zinc/01/30/87/992013087.db2.gz	BWZUNKOSDIEAMG-LLVKDONJSA-N	-2	0	332.334	-0.241	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1	ZINC001599762870	992146071	/nfs/dbraw/zinc/14/60/71/992146071.db2.gz	ZSVOYTYPDHZEFE-VHSXEESVSA-N	-2	0	342.373	-0.034	20	0		EBADRL
CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1=O	ZINC001598579706	993323911	/nfs/dbraw/zinc/32/39/11/993323911.db2.gz	SVDKIIFSLDWTGV-RXMQYKEDSA-N	-2	0	333.347	-0.876	20	0		EBADRL
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1=O	ZINC001598579708	993323917	/nfs/dbraw/zinc/32/39/17/993323917.db2.gz	SVDKIIFSLDWTGV-YFKPBYRVSA-N	-2	0	333.347	-0.876	20	0		EBADRL
COc1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1C(=O)[O-]	ZINC001599607542	993907574	/nfs/dbraw/zinc/90/75/74/993907574.db2.gz	BZERAVQGDIJHJE-UHFFFAOYSA-N	-2	0	333.318	-0.539	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])n1	ZINC001598658724	994563340	/nfs/dbraw/zinc/56/33/40/994563340.db2.gz	CSFNZFFRYOAABX-UHFFFAOYSA-N	-2	0	329.334	-0.634	20	0		EBADRL
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC001598695600	995131856	/nfs/dbraw/zinc/13/18/56/995131856.db2.gz	WTTZEFZNDNCITR-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
C[C@H](Oc1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1F)C(=O)[O-]	ZINC001593622487	995875252	/nfs/dbraw/zinc/87/52/52/995875252.db2.gz	CAZRRVRMGOUAQO-LURJTMIESA-N	-2	0	328.252	-0.183	20	0		EBADRL
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC001593762385	996430022	/nfs/dbraw/zinc/43/00/22/996430022.db2.gz	KZRYBFORZUWWDS-XPTSAGLGSA-N	-2	0	328.321	-0.988	20	0		EBADRL
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1	ZINC001593783372	996494418	/nfs/dbraw/zinc/49/44/18/996494418.db2.gz	JLJSWHXLANRWQC-LKFCYVNXSA-N	-2	0	344.389	-0.414	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC001599502841	997157202	/nfs/dbraw/zinc/15/72/02/997157202.db2.gz	JQAJGHIJDWFUEO-SNVBAGLBSA-N	-2	0	345.329	-0.133	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])oc1Cl	ZINC001598954203	998210935	/nfs/dbraw/zinc/21/09/35/998210935.db2.gz	PEDIYSCJYFATLT-YFKPBYRVSA-N	-2	0	327.698	-0.557	20	0		EBADRL
COCCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cn1	ZINC001599273111	998572083	/nfs/dbraw/zinc/57/20/83/998572083.db2.gz	WZOBIAQFDPDSBJ-UHFFFAOYSA-N	-2	0	343.365	-0.080	20	0		EBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-]	ZINC001599007059	998863887	/nfs/dbraw/zinc/86/38/87/998863887.db2.gz	BCNNVKFJPULBMO-YFKPBYRVSA-N	-2	0	345.255	-0.120	20	0		EBADRL
Cn1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000278700525	376441434	/nfs/dbraw/zinc/44/14/34/376441434.db2.gz	NHDIZYHGNCRLET-MRVPVSSYSA-N	-2	0	347.349	-0.890	20	0		EBADRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cnc3n2CCC3)C1	ZINC000562321709	376950687	/nfs/dbraw/zinc/95/06/87/376950687.db2.gz	NFCZPOJPNRRBTA-CYBMUJFWSA-N	-2	0	343.361	-0.231	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000588316034	377397872	/nfs/dbraw/zinc/39/78/72/377397872.db2.gz	ACGMDUBBAUHACS-SSDOTTSWSA-N	-2	0	325.339	-0.577	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CCC1	ZINC000589680973	377420847	/nfs/dbraw/zinc/42/08/47/377420847.db2.gz	CFMZKIKPFAUNNS-MRVPVSSYSA-N	-2	0	337.350	-0.433	20	0		EBADRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000067890804	379062894	/nfs/dbraw/zinc/06/28/94/379062894.db2.gz	UAJFAQGBKFNGBE-UHFFFAOYSA-N	-2	0	328.306	-0.117	20	0		EBADRL
Cn1cnc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1Cl	ZINC000274919163	379722662	/nfs/dbraw/zinc/72/26/62/379722662.db2.gz	AROHNRMXYPVUJG-YFKPBYRVSA-N	-2	0	325.730	-0.473	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000274949186	379726823	/nfs/dbraw/zinc/72/68/23/379726823.db2.gz	SFXVCOVCFOMVHU-ZETCQYMHSA-N	-2	0	331.302	-0.336	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000275045513	379733925	/nfs/dbraw/zinc/73/39/25/379733925.db2.gz	WHWJCXRRAFMJTJ-QMMMGPOBSA-N	-2	0	345.329	-0.088	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1F	ZINC000277864679	379905950	/nfs/dbraw/zinc/90/59/50/379905950.db2.gz	AMSQCULBSIUMCG-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
COCCOCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000547596904	380149232	/nfs/dbraw/zinc/14/92/32/380149232.db2.gz	WTSWWNFLNXFYJZ-UWVGGRQHSA-N	-2	0	339.366	-0.914	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C[C@@H]1C(=O)[O-]	ZINC000547601268	380148738	/nfs/dbraw/zinc/14/87/38/380148738.db2.gz	AWKWAMDCJJWQLP-BDAKNGLRSA-N	-2	0	343.361	-0.375	20	0		EBADRL
C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCN1C[C@H](C(=O)[O-])CC1=O	ZINC000547886787	380168555	/nfs/dbraw/zinc/16/85/55/380168555.db2.gz	HTWANEDXBHCHEW-RNFRBKRXSA-N	-2	0	332.300	-0.210	20	0		EBADRL
COC(=O)c1ccccc1CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547892631	380169709	/nfs/dbraw/zinc/16/97/09/380169709.db2.gz	FRDDBPQLCFFBKS-UHFFFAOYSA-N	-2	0	345.329	-0.226	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000548589132	380217840	/nfs/dbraw/zinc/21/78/40/380217840.db2.gz	DATYDYULSSZTOB-GFCCVEGCSA-N	-2	0	331.350	-0.184	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-]	ZINC000554703938	380351663	/nfs/dbraw/zinc/35/16/63/380351663.db2.gz	RGEWCWSVIYNHEI-ZETCQYMHSA-N	-2	0	331.302	-0.131	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000269180857	380518833	/nfs/dbraw/zinc/51/88/33/380518833.db2.gz	BKWKUMSYVFBMEY-JTQLQIEISA-N	-2	0	344.345	-0.358	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275102502	380569136	/nfs/dbraw/zinc/56/91/36/380569136.db2.gz	LSKZDQQCAVCHFF-ZJUUUORDSA-N	-2	0	345.377	-0.167	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOC(F)(F)F)C[C@@H]1C(=O)[O-]	ZINC000584502043	381166423	/nfs/dbraw/zinc/16/64/23/381166423.db2.gz	HKCVCMXLUCLYRQ-RQJHMYQMSA-N	-2	0	349.283	-0.040	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000035684217	381182910	/nfs/dbraw/zinc/18/29/10/381182910.db2.gz	QJKKVGJRSLMODV-MRVPVSSYSA-N	-2	0	331.302	-0.336	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000058144477	381237090	/nfs/dbraw/zinc/23/70/90/381237090.db2.gz	RDSBOJSDCWYFHA-SECBINFHSA-N	-2	0	331.302	-0.321	20	0		EBADRL
CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1nnn[n-]1	ZINC000612062349	381776859	/nfs/dbraw/zinc/77/68/59/381776859.db2.gz	VNFYAGGWCHDYRX-VIFPVBQESA-N	-2	0	340.365	-0.176	20	0		EBADRL
CCOC1(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CCOCC1	ZINC000629292374	382103147	/nfs/dbraw/zinc/10/31/47/382103147.db2.gz	JYFFYTNLISUBQH-VIFPVBQESA-N	-2	0	339.366	-0.581	20	0		EBADRL
CCC[C@H](NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000262412518	154230366	/nfs/dbraw/zinc/23/03/66/154230366.db2.gz	XYEIMSYLQRWPDM-JTQLQIEISA-N	-2	0	346.409	-0.234	20	0		EBADRL
C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-]	ZINC000296918605	155078972	/nfs/dbraw/zinc/07/89/72/155078972.db2.gz	KOKDVJZTRVHZMW-MHTLYPKNSA-N	-2	0	335.725	-0.012	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(F)cc1C	ZINC000296921278	155079859	/nfs/dbraw/zinc/07/98/59/155079859.db2.gz	KUOWZANTAVAGMX-VIFPVBQESA-N	-2	0	335.309	-0.355	20	0		EBADRL
Cc1nc(=NC(=O)COCC(=O)N=c2nc(C)[n-]s2)s[n-]1	ZINC000342408237	156034473	/nfs/dbraw/zinc/03/44/73/156034473.db2.gz	BFQMIUGGNAHAEI-UHFFFAOYSA-N	-2	0	328.379	-0.556	20	0		EBADRL
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000322761761	420522608	/nfs/dbraw/zinc/52/26/08/420522608.db2.gz	ZVJYSSPBVVDMPJ-VIFPVBQESA-N	-2	0	348.308	-0.010	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000568635712	420658568	/nfs/dbraw/zinc/65/85/68/420658568.db2.gz	WDIUBNLJHYVFGE-LLVKDONJSA-N	-2	0	333.322	-0.495	20	0		EBADRL
Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000663132012	421125714	/nfs/dbraw/zinc/12/57/14/421125714.db2.gz	UQSNCLWDLRTTOZ-AWEZNQCLSA-N	-2	0	334.288	-0.282	20	0		EBADRL
Nc1ncc(Cl)cc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000681563231	546307227	/nfs/dbraw/zinc/30/72/27/546307227.db2.gz	OVDCPNUBILGOEH-ZCFIWIBFSA-N	-2	0	337.741	-0.087	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000738037574	582615914	/nfs/dbraw/zinc/61/59/14/582615914.db2.gz	KKXNMJHBKQFWKO-SECBINFHSA-N	-2	0	336.366	-0.224	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000737362421	583005645	/nfs/dbraw/zinc/00/56/45/583005645.db2.gz	XCXPFNFMZYPKOV-QWRGUYRKSA-N	-2	0	340.357	-0.086	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC000737362647	583006127	/nfs/dbraw/zinc/00/61/27/583006127.db2.gz	XRKUXAPZBLQGAE-RKDXNWHRSA-N	-2	0	341.345	-0.691	20	0		EBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000738178002	583044533	/nfs/dbraw/zinc/04/45/33/583044533.db2.gz	VQJCWEAMTOFFEK-ZJUUUORDSA-N	-2	0	347.370	-0.384	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-]	ZINC000747845992	583116229	/nfs/dbraw/zinc/11/62/29/583116229.db2.gz	RSPRGHZIGSGWHE-LURJTMIESA-N	-2	0	337.331	-0.259	20	0		EBADRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000748673522	583122312	/nfs/dbraw/zinc/12/23/12/583122312.db2.gz	KVBXFOULGRNMIV-QMMMGPOBSA-N	-2	0	330.318	-0.700	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759572635	583215479	/nfs/dbraw/zinc/21/54/79/583215479.db2.gz	KDHUVQKQYNTMBS-UHFFFAOYSA-N	-2	0	349.331	-0.617	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907241	583416043	/nfs/dbraw/zinc/41/60/43/583416043.db2.gz	MJLVNDIANQMPGI-VIFPVBQESA-N	-2	0	331.350	-0.253	20	0		EBADRL
O=C([O-])[C@H]1CC(C(=O)NCc2n[nH]c(=O)[n-]2)=NN1c1ccccc1	ZINC000819194826	583755997	/nfs/dbraw/zinc/75/59/97/583755997.db2.gz	LEHTYNSZQSZVML-SNVBAGLBSA-N	-2	0	330.304	-0.154	20	0		EBADRL
O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823284489	583827703	/nfs/dbraw/zinc/82/77/03/583827703.db2.gz	IEYFHOHCFLAKHT-LURJTMIESA-N	-2	0	329.363	-0.223	20	0		EBADRL
CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550698	583832761	/nfs/dbraw/zinc/83/27/61/583832761.db2.gz	WXEFTKSRWOHZDL-QWRGUYRKSA-N	-2	0	347.393	-0.557	20	0		EBADRL
CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000823761042	583836864	/nfs/dbraw/zinc/83/68/64/583836864.db2.gz	XXXYDBNLAQEDJF-VIFPVBQESA-N	-2	0	349.409	-0.263	20	0		EBADRL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000826126006	583880796	/nfs/dbraw/zinc/88/07/96/583880796.db2.gz	MBSCSHKUIDGOQT-VXNVDRBHSA-N	-2	0	340.336	-0.281	20	0		EBADRL
CCCN(C)S(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000826892354	583911950	/nfs/dbraw/zinc/91/19/50/583911950.db2.gz	GBYPKQJJBARZHH-SNVBAGLBSA-N	-2	0	337.398	-0.152	20	0		EBADRL
CCN(Cc1ccccc1NC(=O)C(=O)NCc1nnn[n-]1)C(=O)[O-]	ZINC000827182247	583915978	/nfs/dbraw/zinc/91/59/78/583915978.db2.gz	IGUPMHLSZKWPRZ-UHFFFAOYSA-N	-2	0	347.335	-0.046	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CN(C(=O)[O-])CCO2)cn1	ZINC000827706101	583926287	/nfs/dbraw/zinc/92/62/87/583926287.db2.gz	HJEBHCFONXRDND-VIFPVBQESA-N	-2	0	346.365	-0.523	20	0		EBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(NC(=O)[O-])CC2)CC1	ZINC000828639251	583943842	/nfs/dbraw/zinc/94/38/42/583943842.db2.gz	FIINWEZWPMTDPG-UHFFFAOYSA-N	-2	0	349.365	-0.967	20	0		EBADRL
CC[C@](C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000828700466	583945898	/nfs/dbraw/zinc/94/58/98/583945898.db2.gz	MNCZUKRHGRXKGF-LBPRGKRZSA-N	-2	0	342.333	-0.032	20	0		EBADRL
COC(=O)NCCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000828712841	583946095	/nfs/dbraw/zinc/94/60/95/583946095.db2.gz	AIBJBGFLXPYOGG-QMMMGPOBSA-N	-2	0	337.354	-0.679	20	0		EBADRL
COc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829575818	583954674	/nfs/dbraw/zinc/95/46/74/583954674.db2.gz	LJWTVSKZNZTUFN-NSHDSACASA-N	-2	0	344.345	-0.121	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)CC2CN(C(=O)[O-])C2)s1	ZINC000829691960	583956970	/nfs/dbraw/zinc/95/69/70/583956970.db2.gz	VBKJDWDPJZOPPX-UHFFFAOYSA-N	-2	0	335.367	-0.152	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-]	ZINC000829833071	583958885	/nfs/dbraw/zinc/95/88/85/583958885.db2.gz	WHNXFYNFSRFFAE-BDAKNGLRSA-N	-2	0	336.366	-0.514	20	0		EBADRL
Cn1cc(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000830998905	583973958	/nfs/dbraw/zinc/97/39/58/583973958.db2.gz	CZWGNRVMHZABLV-SNVBAGLBSA-N	-2	0	330.366	-0.449	20	0		EBADRL
O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831428527	583982554	/nfs/dbraw/zinc/98/25/54/583982554.db2.gz	INOOEKWNEBEXJC-JTQLQIEISA-N	-2	0	347.393	-0.509	20	0		EBADRL
O=C([O-])N(CC(=O)[N-]S(=O)(=O)CCCF)C[C@@H]1CCCO1	ZINC000831475067	583983164	/nfs/dbraw/zinc/98/31/64/583983164.db2.gz	WUFWYVINMLDIME-VIFPVBQESA-N	-2	0	326.346	-0.049	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)N1CCCCC1	ZINC000831473497	583983189	/nfs/dbraw/zinc/98/31/89/583983189.db2.gz	CCRJIBDXYAVBBV-NSHDSACASA-N	-2	0	349.409	-0.008	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000831474281	583983238	/nfs/dbraw/zinc/98/32/38/583983238.db2.gz	NOUFRWMYIFALGM-VHSXEESVSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)Cc1ccon1	ZINC000831473772	583983298	/nfs/dbraw/zinc/98/32/98/583983298.db2.gz	GFCNDGRTXJNPSW-SNVBAGLBSA-N	-2	0	347.349	-0.220	20	0		EBADRL
O=C(CN1CCSC1=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831489663	583983651	/nfs/dbraw/zinc/98/36/51/583983651.db2.gz	WFEHBMQFBBRYJU-SSDOTTSWSA-N	-2	0	337.379	-0.647	20	0		EBADRL
O=C(CN1CCSC1=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831489664	583983662	/nfs/dbraw/zinc/98/36/62/583983662.db2.gz	WFEHBMQFBBRYJU-ZETCQYMHSA-N	-2	0	337.379	-0.647	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831767871	583991449	/nfs/dbraw/zinc/99/14/49/583991449.db2.gz	UELFFNQHEKNLKD-WDEREUQCSA-N	-2	0	337.394	-0.014	20	0		EBADRL
C[C@@]1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCCOC1	ZINC000833552482	584011805	/nfs/dbraw/zinc/01/18/05/584011805.db2.gz	BGFMVTDZMZVFFT-CYBMUJFWSA-N	-2	0	334.394	-0.039	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](CC(F)F)NC(=O)[O-])cn1	ZINC000833949982	584020827	/nfs/dbraw/zinc/02/08/27/584020827.db2.gz	CLZKDCOWEQGVDT-ZCFIWIBFSA-N	-2	0	326.281	-0.484	20	0		EBADRL
NC(=O)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000833985395	584022974	/nfs/dbraw/zinc/02/29/74/584022974.db2.gz	ZIXHBYGLFKYWNY-MRVPVSSYSA-N	-2	0	335.276	-0.520	20	0		EBADRL
O=C([O-])NCCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1	ZINC000834244707	584029992	/nfs/dbraw/zinc/02/99/92/584029992.db2.gz	NSQAGIPVRRCZID-UHFFFAOYSA-N	-2	0	349.307	-0.899	20	0		EBADRL
O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000834260169	584030139	/nfs/dbraw/zinc/03/01/39/584030139.db2.gz	MMKQXANCRYKLNS-UHFFFAOYSA-N	-2	0	338.255	-0.006	20	0		EBADRL
COC(=O)CCCO[N-]C(=O)C(=O)Nc1cccnc1C(=O)[O-]	ZINC000850788054	584188155	/nfs/dbraw/zinc/18/81/55/584188155.db2.gz	KXLSDOPHACUXNP-UHFFFAOYSA-N	-2	0	325.277	-0.281	20	0		EBADRL
Cn1ncc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC000852736963	584215174	/nfs/dbraw/zinc/21/51/74/584215174.db2.gz	PTNISHBOILSTHC-BDAKNGLRSA-N	-2	0	335.286	-0.089	20	0		EBADRL
CS(=O)(=O)CCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000852736784	584215339	/nfs/dbraw/zinc/21/53/39/584215339.db2.gz	OJRYSHZEZPWHIL-YUMQZZPRSA-N	-2	0	346.327	-0.373	20	0		EBADRL
O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000853062701	584222922	/nfs/dbraw/zinc/22/29/22/584222922.db2.gz	SKODTLRQOHTBSU-QMMMGPOBSA-N	-2	0	345.329	-0.045	20	0		EBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1	ZINC000863957888	584381251	/nfs/dbraw/zinc/38/12/51/584381251.db2.gz	WMXOVLLPDRYLCD-UHFFFAOYSA-N	-2	0	348.362	-0.444	20	0		EBADRL
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863958590	584381334	/nfs/dbraw/zinc/38/13/34/584381334.db2.gz	DGQVEGKGUOVXBI-RNFRBKRXSA-N	-2	0	345.333	-0.568	20	0		EBADRL
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863959024	584381541	/nfs/dbraw/zinc/38/15/41/584381541.db2.gz	QSCHFIYCWPXQQT-RQJHMYQMSA-N	-2	0	327.380	-0.552	20	0		EBADRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C1CC1	ZINC000863961831	584381757	/nfs/dbraw/zinc/38/17/57/584381757.db2.gz	BPSHQVHPMWHIHI-SECBINFHSA-N	-2	0	329.334	-0.419	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863962684	584381906	/nfs/dbraw/zinc/38/19/06/584381906.db2.gz	TYNKHVZXXOTXJO-UHFFFAOYSA-N	-2	0	327.380	-0.551	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])cc1C(N)=O	ZINC000739036121	599797647	/nfs/dbraw/zinc/79/76/47/599797647.db2.gz	HFFHFKINCJHWJN-UHFFFAOYSA-N	-2	0	349.390	-0.863	20	0		EBADRL
COCCS(=O)(=O)[N-]C(=O)[C@@H](Cc1ccccc1)NC(=O)[O-]	ZINC000739839459	602652272	/nfs/dbraw/zinc/65/22/72/602652272.db2.gz	XABSDIVAORDNFH-LLVKDONJSA-N	-2	0	330.362	-0.042	20	0		EBADRL
CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1	ZINC000738602545	602675757	/nfs/dbraw/zinc/67/57/57/602675757.db2.gz	PEQVSXQYHQLIPC-UHFFFAOYSA-N	-2	0	344.345	-0.022	20	0		EBADRL
O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Cn1[n-]cc3c(=O)ncnc1-3)C2	ZINC000740388666	603003018	/nfs/dbraw/zinc/00/30/18/603003018.db2.gz	VGFVMNPGGBALRT-PBINXNQUSA-N	-2	0	346.347	-0.139	20	0		EBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000912526492	650206495	/nfs/dbraw/zinc/20/64/95/650206495.db2.gz	KHNQUSPJQGALLP-UHFFFAOYSA-N	-2	0	329.294	-0.571	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)[O-])cc1C(N)=O	ZINC000740290828	719419892	/nfs/dbraw/zinc/41/98/92/719419892.db2.gz	QYGOWARXTFECDK-UHFFFAOYSA-N	-2	0	346.365	-0.635	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])o1	ZINC001222785384	811660117	/nfs/dbraw/zinc/66/01/17/811660117.db2.gz	MQBRFBKPURNXED-GMSGAONNSA-N	-2	0	330.245	-0.354	20	0		EBADRL
COC(=O)[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1	ZINC001223072952	811680773	/nfs/dbraw/zinc/68/07/73/811680773.db2.gz	QRVJGNRYXJYLQY-NXEZZACHSA-N	-2	0	334.217	-0.086	20	0		EBADRL
COc1ccnc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1C	ZINC001223623003	811718493	/nfs/dbraw/zinc/71/84/93/811718493.db2.gz	AXWJLEDONTYPJH-PELKAZGASA-N	-2	0	327.289	-0.022	20	0		EBADRL
O=C(OCc1ccc2c(c1)OCCO2)[C@H](O)COP(=O)([O-])[O-]	ZINC001223741183	811728610	/nfs/dbraw/zinc/72/86/10/811728610.db2.gz	BDJYBCGZQSGYJX-SECBINFHSA-N	-2	0	334.217	-0.029	20	0		EBADRL
O=C(OCc1nc(-c2cnccn2)no1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224255356	811751484	/nfs/dbraw/zinc/75/14/84/811751484.db2.gz	KRZALEJVYHHCTR-SSDOTTSWSA-N	-2	0	346.192	-0.960	20	0		EBADRL
COC(=O)c1coc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001224254808	811751522	/nfs/dbraw/zinc/75/15/22/811751522.db2.gz	USDQTFXBTYIZOM-ANLVUFKYSA-N	-2	0	331.233	-0.959	20	0		EBADRL
CC(=O)N1CCC(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC1	ZINC001224285497	811754866	/nfs/dbraw/zinc/75/48/66/811754866.db2.gz	ZWMRYGSYBVSWGE-ZYHUDNBSSA-N	-2	0	331.321	-0.676	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCCCC[P@@](=O)([O-])O)[C@H](O)C(=O)[O-]	ZINC001225018699	811787635	/nfs/dbraw/zinc/78/76/35/811787635.db2.gz	FTAYTEYNSCQZKK-SVRRBLITSA-N	-3	0	328.210	-0.976	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OC[C@H]1COc2ccccc2O1)[C@H](O)C(=O)[O-]	ZINC001225038097	811788749	/nfs/dbraw/zinc/78/87/49/811788749.db2.gz	GSMLRYIBOSCGPP-KKFJDGPESA-N	-2	0	340.284	-0.094	20	0		EBADRL
C[C@@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])NC(=O)OC(C)(C)C	ZINC001225158882	811796338	/nfs/dbraw/zinc/79/63/38/811796338.db2.gz	JOHIOVAUFJNCJC-JGVFFNPUSA-N	-2	0	343.269	-0.087	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-n2cnnn2)cc1)[C@H](O)C(=O)[O-]	ZINC001225486677	811813034	/nfs/dbraw/zinc/81/30/34/811813034.db2.gz	VCCIFTYKLFNPMP-ONGXEEELSA-N	-2	0	336.260	-0.896	20	0		EBADRL
NC(=O)c1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225520546	811815905	/nfs/dbraw/zinc/81/59/05/811815905.db2.gz	LPDBSWQHVNRHPM-XVKPBYJWSA-N	-2	0	345.691	-0.119	20	0		EBADRL
Cc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC(=O)N2	ZINC001225510946	811815946	/nfs/dbraw/zinc/81/59/46/811815946.db2.gz	AWESBUXMIMQMHE-SDBXPKJASA-N	-2	0	337.284	-0.069	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncc(Br)cn1)[C@H](O)C(=O)[O-]	ZINC001225559476	811817096	/nfs/dbraw/zinc/81/70/96/811817096.db2.gz	IRIOCVHHCFWHJF-FSPLSTOPSA-N	-2	0	349.093	-0.319	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc1	ZINC001226700024	811880618	/nfs/dbraw/zinc/88/06/18/811880618.db2.gz	VKTNJMKKYHKVLU-MRVPVSSYSA-N	-2	0	335.205	-0.366	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc2ncnc-2c(S)[n-]1)[C@@H](O)C(=O)[O-]	ZINC001226785085	811885246	/nfs/dbraw/zinc/88/52/46/811885246.db2.gz	JMWVUJKUNTYTLW-BBIVZNJYSA-N	-3	0	342.289	-0.917	20	0		EBADRL
O=C(Oc1n[n-]c(=O)c(Cl)c1Cl)[C@H](O)COP(=O)([O-])[O-]	ZINC001227605496	811929721	/nfs/dbraw/zinc/92/97/21/811929721.db2.gz	IGJNMXGRXAEQTP-UWTATZPHSA-N	-3	0	349.019	-0.135	20	0		EBADRL
COC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227599528	811929957	/nfs/dbraw/zinc/92/99/57/811929957.db2.gz	CQRLCEDHDINHJQ-KWQFWETISA-N	-2	0	326.257	-0.085	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2sccc21)[C@H](O)C(=O)[O-]	ZINC001227844781	811945613	/nfs/dbraw/zinc/94/56/13/811945613.db2.gz	CMYBTVNOOCFZSA-FSPLSTOPSA-N	-3	0	342.285	-0.161	20	0		EBADRL
CSc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)[nH]1	ZINC001228095753	811961582	/nfs/dbraw/zinc/96/15/82/811961582.db2.gz	XLJUVHJORMSEJI-RNHFCUEFSA-N	-2	0	332.290	-0.654	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)c2ccccc21)[C@@H](O)C(=O)[O-]	ZINC001228274228	811972098	/nfs/dbraw/zinc/97/20/98/811972098.db2.gz	PTNCUZIVTJTHNZ-PSASIEDQSA-N	-2	0	336.256	-0.223	20	0		EBADRL
COc1cc(=O)[n-]c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1	ZINC001228919431	812006137	/nfs/dbraw/zinc/00/61/37/812006137.db2.gz	XPIGTRQEAQVELP-VIFPVBQESA-N	-2	0	349.365	-0.842	20	0		EBADRL
CSc1nc(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228913616	812006646	/nfs/dbraw/zinc/00/66/46/812006646.db2.gz	UKGLCECHSMWKGU-MUWHJKNJSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CC(=O)c1c(=O)oc(C)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229186614	812016422	/nfs/dbraw/zinc/01/64/22/812016422.db2.gz	LDZCFCLREDWPHD-RDDDGLTNSA-N	-2	0	342.256	-0.407	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)c2c1CCCC2)[C@@H](O)C(=O)[O-]	ZINC001229220867	812019866	/nfs/dbraw/zinc/01/98/66/812019866.db2.gz	KOOFVQAXCIEBGI-WCBMZHEXSA-N	-2	0	340.288	-0.497	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)CNC(=O)C2)[C@@H](O)C(=O)[O-]	ZINC001229636060	812045754	/nfs/dbraw/zinc/04/57/54/812045754.db2.gz	JRLSDAHMJUESQH-GXFFZTMASA-N	-2	0	337.284	-0.699	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccn2c(=O)ccnc12)[C@@H](O)C(=O)[O-]	ZINC001229928196	812064005	/nfs/dbraw/zinc/06/40/05/812064005.db2.gz	BQNKSWKXSVTESY-RDDDGLTNSA-N	-2	0	336.256	-0.864	20	0		EBADRL
CN1CC(Oc2c(O)cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1	ZINC001230147128	812080206	/nfs/dbraw/zinc/08/02/06/812080206.db2.gz	RCCJMNRZGWWORG-UHFFFAOYSA-N	-2	0	339.347	-0.422	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncnc2c1CSC2)[C@@H](O)C(=O)[O-]	ZINC001233896569	812366128	/nfs/dbraw/zinc/36/61/28/812366128.db2.gz	SAPHROVICGBSON-MLUIRONXSA-N	-2	0	328.302	-0.335	20	0		EBADRL
COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001234351680	812414718	/nfs/dbraw/zinc/41/47/18/812414718.db2.gz	PIDKRYVSWPYYQP-RXMQYKEDSA-N	-2	0	345.260	-0.575	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(C(F)(F)F)[nH]n1)[C@@H](O)C(=O)[O-]	ZINC001234858987	812447711	/nfs/dbraw/zinc/44/77/11/812447711.db2.gz	NVZILPBRHMAWBV-CLTAVNFZSA-N	-2	0	326.183	-0.130	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1C(=O)NCC2)[C@H](O)C(=O)[O-]	ZINC001234654112	812447784	/nfs/dbraw/zinc/44/77/84/812447784.db2.gz	MNYALWARQAGPES-UFBFGSQYSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260168384	812827174	/nfs/dbraw/zinc/82/71/74/812827174.db2.gz	QGKANYKZZXWBIU-UHFFFAOYSA-N	-2	0	343.712	-0.220	20	0		EBADRL
CN(C)C(=O)c1cccc([N-]S(=O)(=O)CS(C)(=O)=O)c1[O-]	ZINC001260592561	812840461	/nfs/dbraw/zinc/84/04/61/812840461.db2.gz	KIWCXLLGTUCGNO-UHFFFAOYSA-N	-2	0	336.391	-0.162	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001095323627	818601899	/nfs/dbraw/zinc/60/18/99/818601899.db2.gz	RIZNBUBXZYVIOO-VGMNWLOBSA-N	-2	0	333.352	-0.217	20	0		EBADRL
O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1COCCC12OCCO2	ZINC001180176766	833052612	/nfs/dbraw/zinc/05/26/12/833052612.db2.gz	NZFZXBIQTQCVPN-LURJTMIESA-N	-2	0	331.218	-0.010	20	0		EBADRL
CCNS(=O)(=O)c1cccnc1NCCOP(=O)([O-])[O-]	ZINC001157791337	831592813	/nfs/dbraw/zinc/59/28/13/831592813.db2.gz	LQTAPDLDBJLONZ-UHFFFAOYSA-N	-2	0	325.283	-0.099	20	0		EBADRL
COc1cc(NCCOP(=O)([O-])[O-])nc(S(C)(=O)=O)n1	ZINC001157791725	831593190	/nfs/dbraw/zinc/59/31/90/831593190.db2.gz	RWYPOXAMPMDOMW-UHFFFAOYSA-N	-2	0	327.255	-0.590	20	0		EBADRL
COc1cccc(OC)c1NC(=O)C(=O)NCCOP(=O)([O-])[O-]	ZINC001187492242	833934604	/nfs/dbraw/zinc/93/46/04/833934604.db2.gz	JHJGQWHYPLXSJA-UHFFFAOYSA-N	-2	0	348.248	-0.132	20	0		EBADRL
Nc1nonc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189914006	834208377	/nfs/dbraw/zinc/20/83/77/834208377.db2.gz	CJAAGIHLHJJWAO-UHFFFAOYSA-N	-2	0	328.262	-0.151	20	0		EBADRL
Cn1nnnc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189915211	834208580	/nfs/dbraw/zinc/20/85/80/834208580.db2.gz	WLBIPKMTVVCLJH-UHFFFAOYSA-N	-2	0	327.278	-0.593	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCC2OCCO2)cc(S(=O)(=O)[O-])c1	ZINC001189933038	834209860	/nfs/dbraw/zinc/20/98/60/834209860.db2.gz	GYGMZAHBZKHUAI-UHFFFAOYSA-N	-2	0	331.302	-0.266	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC[C@H]2CCC(=O)N2)cc(S(=O)(=O)[O-])c1	ZINC001189934844	834210626	/nfs/dbraw/zinc/21/06/26/834210626.db2.gz	YWSDZRBCWTWJEQ-SECBINFHSA-N	-2	0	342.329	-0.360	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001191632155	834514672	/nfs/dbraw/zinc/51/46/72/834514672.db2.gz	XXBYRZHNKHGFHC-UHFFFAOYSA-N	-2	0	338.278	-0.566	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2c([O-])ccc(F)c2F)C(=O)N1S(=O)(=O)[O-]	ZINC001192768962	834729804	/nfs/dbraw/zinc/72/98/04/834729804.db2.gz	GYIMXXULKZRLTO-IGJIYHIXSA-N	-2	0	336.272	-0.198	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cc(N2CCCNC2=O)ncn1	ZINC001199428258	835810624	/nfs/dbraw/zinc/81/06/24/835810624.db2.gz	QEFWOYRFDPCFJJ-UHFFFAOYSA-N	-2	0	345.252	-0.765	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCS(=O)(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001206103814	836624898	/nfs/dbraw/zinc/62/48/98/836624898.db2.gz	VAGIYCWONBJQEW-MWLCHTKSSA-N	-2	0	346.313	-0.503	20	0		EBADRL
O=C([N-]N1CC(=O)NC1=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1	ZINC001329258023	840883620	/nfs/dbraw/zinc/88/36/20/840883620.db2.gz	MIKHWGQSRILMTP-UHFFFAOYSA-N	-2	0	334.210	-0.345	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC001593897569	955835123	/nfs/dbraw/zinc/83/51/23/955835123.db2.gz	IFMDUVHJAJJWFF-JTQLQIEISA-N	-2	0	336.347	-0.548	20	0		EBADRL
COC[C@@]1(C(=O)[O-])CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001593963004	956509829	/nfs/dbraw/zinc/50/98/29/956509829.db2.gz	WHYUUCYBAUZDLT-CQSZACIVSA-N	-2	0	335.320	-0.979	20	0		EBADRL
O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1c[n-]n2c1nccc2=O	ZINC001594718769	956947095	/nfs/dbraw/zinc/94/70/95/956947095.db2.gz	JYLCHEXSQVEWQA-NSHDSACASA-N	-2	0	327.300	-0.157	20	0		EBADRL
Cc1cc(C)nc(-n2[n-]c(C(=O)NCCC(=O)[O-])c(CCO)c2=O)n1	ZINC001594306091	957969441	/nfs/dbraw/zinc/96/94/41/957969441.db2.gz	XSAURRFMCXDPFD-UHFFFAOYSA-N	-2	0	349.347	-0.688	20	0		EBADRL
Cc1c(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cnn1C	ZINC001594269075	959780055	/nfs/dbraw/zinc/78/00/55/959780055.db2.gz	SMMYVHHQJCDCTL-UHFFFAOYSA-N	-2	0	325.306	-0.665	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)[N-][C@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001604948410	972519894	/nfs/dbraw/zinc/51/98/94/972519894.db2.gz	KTIJGDXKVOGBQC-QMMMGPOBSA-N	-2	0	341.411	-0.986	20	0		EBADRL
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCOC[C@H]2c2nnn[n-]2)O1	ZINC001571167323	962004388	/nfs/dbraw/zinc/00/43/88/962004388.db2.gz	CIWJVSGLIZCKDA-LPEHRKFASA-N	-2	0	325.325	-0.488	20	0		EBADRL
O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1CCN(C(=O)[O-])CC1	ZINC001571175013	962093593	/nfs/dbraw/zinc/09/35/93/962093593.db2.gz	CDLLPXZYPGOXED-UHFFFAOYSA-N	-2	0	327.341	-0.024	20	0		EBADRL
COC(=O)[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C2	ZINC001571187718	962226444	/nfs/dbraw/zinc/22/64/44/962226444.db2.gz	LWYKMGPYNINDFQ-LTMDPNIMSA-N	-2	0	330.318	-0.007	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc2c(cnn2C)c1	ZINC001592359885	977844430	/nfs/dbraw/zinc/84/44/30/977844430.db2.gz	MXLFXLJJKZGLBU-ZETCQYMHSA-N	-2	0	326.334	-0.116	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C)C(=O)[O-]	ZINC001592799946	979455384	/nfs/dbraw/zinc/45/53/84/979455384.db2.gz	HNQDBUBTHZRRFJ-IWSPIJDZSA-N	-2	0	325.383	-0.123	20	0		EBADRL
CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001596647159	984663243	/nfs/dbraw/zinc/66/32/43/984663243.db2.gz	UBTSDCCQCXTKKY-SSDOTTSWSA-N	-2	0	333.322	-0.118	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001599908947	984960290	/nfs/dbraw/zinc/96/02/90/984960290.db2.gz	GOCIVRLRRGULTN-FEUHOPSXSA-N	-2	0	326.349	-0.121	20	0		EBADRL
C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@@H](C(=O)[O-])O1	ZINC001599924556	985182340	/nfs/dbraw/zinc/18/23/40/985182340.db2.gz	NREMTVVXRPQGAN-CPCISQLKSA-N	-2	0	344.345	-0.646	20	0		EBADRL
C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nnc(CCC(=O)[O-])s1	ZINC001589336737	986224179	/nfs/dbraw/zinc/22/41/79/986224179.db2.gz	LOCQYTBFWYNDRQ-ZCFIWIBFSA-N	-2	0	336.395	-0.226	20	0		EBADRL
C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CC(=O)[O-])NC1=O	ZINC001594650336	986868467	/nfs/dbraw/zinc/86/84/67/986868467.db2.gz	CWOZRCUKRBXOPS-LURJTMIESA-N	-2	0	328.302	-0.450	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C	ZINC001589492824	987065692	/nfs/dbraw/zinc/06/56/92/987065692.db2.gz	ZCMFDDSIIWKZFR-LURJTMIESA-N	-2	0	327.318	-0.188	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	ZINC001589493474	987067858	/nfs/dbraw/zinc/06/78/58/987067858.db2.gz	CJMGVISRGAZGMQ-OPVBNTEQSA-N	-2	0	336.391	-0.641	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21	ZINC001589493994	987070083	/nfs/dbraw/zinc/07/00/83/987070083.db2.gz	GSAGBWFCKPEJAN-ZYUZMQFOSA-N	-2	0	332.378	-0.400	20	0		EBADRL
CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)CS(C)(=O)=O	ZINC001590766221	990570582	/nfs/dbraw/zinc/57/05/82/990570582.db2.gz	OKFGISZICXQHFT-UHFFFAOYSA-N	-2	0	340.379	-0.278	20	0		EBADRL
CC(C)(C)n1nnc(CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1	ZINC001590799152	990626854	/nfs/dbraw/zinc/62/68/54/990626854.db2.gz	MJDKMVDFRJTZEY-UHFFFAOYSA-N	-2	0	347.397	-0.473	20	0		EBADRL
CC(C)(NC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1)C(=O)[O-]	ZINC001590836020	990693317	/nfs/dbraw/zinc/69/33/17/990693317.db2.gz	FRXHXAAALSLKJK-UHFFFAOYSA-N	-2	0	326.309	-0.379	20	0		EBADRL
CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001591019221	991302436	/nfs/dbraw/zinc/30/24/36/991302436.db2.gz	IHYGBYUSWQITIR-LLVKDONJSA-N	-2	0	343.361	-0.633	20	0		EBADRL
C[S@](=O)(=NS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1ccccc1	ZINC001599743293	991892413	/nfs/dbraw/zinc/89/24/13/991892413.db2.gz	GUGSHUJRKSLXSZ-OAQYLSRUSA-N	-2	0	349.390	-0.822	20	0		EBADRL
C[S@](=O)(=NS(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])c1ccccc1	ZINC001599743584	991897234	/nfs/dbraw/zinc/89/72/34/991897234.db2.gz	IFOISMIIAMOXJA-GSDQLPOLSA-N	-2	0	336.391	-0.187	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cn1	ZINC001599759860	992105599	/nfs/dbraw/zinc/10/55/99/992105599.db2.gz	CNIWCEMDVAWLRN-VIFPVBQESA-N	-2	0	329.334	-0.621	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1C(=O)[O-]	ZINC001599613052	993980495	/nfs/dbraw/zinc/98/04/95/993980495.db2.gz	QGBRFIZEDQDOMO-ZDUSSCGKSA-N	-2	0	345.329	-0.085	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)cc1C(=O)[O-]	ZINC001599617146	994030590	/nfs/dbraw/zinc/03/05/90/994030590.db2.gz	KZJUWOBZNCNTLE-UHFFFAOYSA-N	-2	0	343.317	-0.519	20	0		EBADRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cn1C	ZINC001598657067	994538380	/nfs/dbraw/zinc/53/83/80/994538380.db2.gz	WDTSWDYBZZOKIW-UHFFFAOYSA-N	-2	0	339.333	-0.326	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1	ZINC001599682703	995009051	/nfs/dbraw/zinc/00/90/51/995009051.db2.gz	DLBSNWBKNKHGTD-FQEVSTJZSA-N	-3	0	335.359	-0.667	20	0		EBADRL
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001599382006	996871682	/nfs/dbraw/zinc/87/16/82/996871682.db2.gz	QRKKFXPLYUOKNC-BDAKNGLRSA-N	-2	0	345.329	-0.398	20	0		EBADRL
CO[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C(=O)[O-])C1	ZINC001599118366	997693938	/nfs/dbraw/zinc/69/39/38/997693938.db2.gz	YKNQNBIGDBHGLB-PSASIEDQSA-N	-2	0	335.320	-0.838	20	0		EBADRL
COCC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001599141788	998144474	/nfs/dbraw/zinc/14/44/74/998144474.db2.gz	UZAJVSWRNKHNBU-UHFFFAOYSA-N	-2	0	348.333	-0.804	20	0		EBADRL
COc1ccc(CNC(=O)C(=O)NCCCC(=O)[O-])cc1C(=O)[O-]	ZINC001599562764	998230870	/nfs/dbraw/zinc/23/08/70/998230870.db2.gz	QGCQYGWCRZYLAT-UHFFFAOYSA-N	-2	0	338.316	-0.009	20	0		EBADRL
COCCOCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001599251151	998233993	/nfs/dbraw/zinc/23/39/93/998233993.db2.gz	YECOKPDUAIXBDA-UHFFFAOYSA-N	-2	0	338.363	-0.301	20	0		EBADRL
COCCOc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])ccn1	ZINC001599254396	998287352	/nfs/dbraw/zinc/28/73/52/998287352.db2.gz	ZXSHOSWPANRIJF-QMMMGPOBSA-N	-2	0	332.334	-0.361	20	0		EBADRL
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC001599150685	998292520	/nfs/dbraw/zinc/29/25/20/998292520.db2.gz	ZSXCEERNKYNXME-LLVKDONJSA-N	-2	0	336.322	-0.381	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)OC	ZINC001599166979	998556549	/nfs/dbraw/zinc/55/65/49/998556549.db2.gz	SQHNFQQLUZZDQU-HBNTYKKESA-N	-2	0	337.394	-0.015	20	0		EBADRL
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001594210190	998816552	/nfs/dbraw/zinc/81/65/52/998816552.db2.gz	PHGICKFXOBBWED-UWVGGRQHSA-N	-2	0	329.353	-0.280	20	0		EBADRL
CO[C@@H](CS(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1)[C@H]1CCOC1	ZINC001599060939	999264811	/nfs/dbraw/zinc/26/48/11/999264811.db2.gz	YGTWDIGEKRALBB-WPRPVWTQSA-N	-2	0	331.350	-0.032	20	0		EBADRL
CC(=O)Nc1ncc(S(=O)(=O)NCCOP(=O)([O-])[O-])s1	ZINC001260709002	1130546377	/nfs/dbraw/zinc/54/63/77/1130546377.db2.gz	PFZWTARJPBSJMK-UHFFFAOYSA-N	-2	0	345.295	-0.511	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000372311030	304081539	/nfs/dbraw/zinc/08/15/39/304081539.db2.gz	XKJXFKYXZGZVII-MRVPVSSYSA-N	-2	0	331.350	-0.327	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000274935061	379724882	/nfs/dbraw/zinc/72/48/82/379724882.db2.gz	FBFYBHLUGQCAKN-UHFFFAOYSA-N	-2	0	325.730	-0.458	20	0		EBADRL
CCn1nccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275202526	379742425	/nfs/dbraw/zinc/74/24/25/379742425.db2.gz	YZTJHHMPLMJEQT-IUCAKERBSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1F	ZINC000278252267	379917242	/nfs/dbraw/zinc/91/72/42/379917242.db2.gz	XAHQNXHQULNLCF-VIFPVBQESA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])oc1C	ZINC000614327570	379922328	/nfs/dbraw/zinc/92/23/28/379922328.db2.gz	DLWIUKOTJBOGJS-MRVPVSSYSA-N	-2	0	349.317	-0.029	20	0		EBADRL
Cc1cc2c(cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])OCO2	ZINC000279893237	379965542	/nfs/dbraw/zinc/96/55/42/379965542.db2.gz	CBYUUYNQISWEIY-ZETCQYMHSA-N	-2	0	331.302	-0.070	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1C(=O)[O-]	ZINC000538089935	379965533	/nfs/dbraw/zinc/96/55/33/379965533.db2.gz	AFDWKWUDCOIOMQ-UHFFFAOYSA-N	-3	0	328.306	-0.044	20	0		EBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547552953	380143364	/nfs/dbraw/zinc/14/33/64/380143364.db2.gz	GRHICMFSRSDKQP-RKDXNWHRSA-N	-2	0	337.350	-0.481	20	0		EBADRL
COC(=O)c1csc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000548212342	380190714	/nfs/dbraw/zinc/19/07/14/380190714.db2.gz	UWFOHLMGEXBMJI-UHFFFAOYSA-N	-2	0	337.331	-0.305	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CCOCC2)C[C@@H]1C(=O)[O-]	ZINC000548250249	380193696	/nfs/dbraw/zinc/19/36/96/380193696.db2.gz	LBBLZJKBMWVHJU-MNOVXSKESA-N	-2	0	335.378	-0.150	20	0		EBADRL
CCn1cncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000548250000	380194104	/nfs/dbraw/zinc/19/41/04/380194104.db2.gz	JCMPIMIIPCJDDB-DTWKUNHWSA-N	-2	0	331.350	-0.301	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)C(=O)[O-]	ZINC000322338309	380368729	/nfs/dbraw/zinc/36/87/29/380368729.db2.gz	AEDQXSBFAHPFBV-MRVPVSSYSA-N	-2	0	344.301	-0.776	20	0		EBADRL
C[C@H]1CCCc2nc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cn21	ZINC000569321330	380638852	/nfs/dbraw/zinc/63/88/52/380638852.db2.gz	XICRXACIMODLIJ-QMMMGPOBSA-N	-2	0	331.350	-0.060	20	0		EBADRL
C[C@@H]1C[C@H](S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)CCO1	ZINC000571805768	381620397	/nfs/dbraw/zinc/62/03/97/381620397.db2.gz	FOCWAVFOEPPLDS-ZNSHCXBVSA-N	-2	0	335.378	-0.009	20	0		EBADRL
COC(=O)Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000352806841	382038158	/nfs/dbraw/zinc/03/81/58/382038158.db2.gz	AEBKQAYADGZQEW-UHFFFAOYSA-N	-2	0	328.306	-0.117	20	0		EBADRL
CCOC1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CCOCC1	ZINC000629292373	382102315	/nfs/dbraw/zinc/10/23/15/382102315.db2.gz	JYFFYTNLISUBQH-SECBINFHSA-N	-2	0	339.366	-0.581	20	0		EBADRL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(N)=O)c1	ZINC000315872782	155175175	/nfs/dbraw/zinc/17/51/75/155175175.db2.gz	LBVCRWMSLNOEES-UHFFFAOYSA-N	-2	0	328.306	-0.231	20	0		EBADRL
COCC[C@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000262298701	154223338	/nfs/dbraw/zinc/22/33/38/154223338.db2.gz	NCJMRDVNLNYQNW-MEDUHNTESA-N	-2	0	349.343	-0.039	20	0		EBADRL
COc1cc(C(=O)NCC(=O)[O-])cc([N-]S(C)(=O)=O)c1OC	ZINC000262685808	154243422	/nfs/dbraw/zinc/24/34/22/154243422.db2.gz	DGNFFCRAKLSZQO-UHFFFAOYSA-N	-2	0	332.334	-0.110	20	0		EBADRL
Cn1cnc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1Cl	ZINC000298278208	155106528	/nfs/dbraw/zinc/10/65/28/155106528.db2.gz	BAGBRGUZXOGKCC-YFKPBYRVSA-N	-2	0	325.730	-0.330	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2n[nH]c(=O)[n-]2)c1	ZINC000343830544	156172400	/nfs/dbraw/zinc/17/24/00/156172400.db2.gz	GTJIKASSOWVCEL-UHFFFAOYSA-N	-2	0	341.349	-0.604	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC	ZINC000530540956	418957860	/nfs/dbraw/zinc/95/78/60/418957860.db2.gz	PTSVRKBVWBADKC-ZCFIWIBFSA-N	-2	0	338.363	-0.302	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000515656723	420658893	/nfs/dbraw/zinc/65/88/93/420658893.db2.gz	KOJWQBTWXHGILG-RQJHMYQMSA-N	-2	0	333.322	-0.639	20	0		EBADRL
O=C([O-])[C@H]1CN(c2cc(N3CCO[C@H](C(=O)[O-])C3)ncn2)CCO1	ZINC000662883446	421105722	/nfs/dbraw/zinc/10/57/22/421105722.db2.gz	KFVJRULPNJBQHG-AOOOYVTPSA-N	-2	0	338.320	-0.944	20	0		EBADRL
COCCN(CC(=O)[O-])C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1	ZINC000676208154	546198587	/nfs/dbraw/zinc/19/85/87/546198587.db2.gz	LFVIBTHEXUXLGJ-UHFFFAOYSA-N	-2	0	336.304	-0.082	20	0		EBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1	ZINC000737648044	582565177	/nfs/dbraw/zinc/56/51/77/582565177.db2.gz	DEIMETVMEZJNBC-UHFFFAOYSA-N	-2	0	343.321	-0.413	20	0		EBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1	ZINC000738176760	582726619	/nfs/dbraw/zinc/72/66/19/582726619.db2.gz	YAUILQBXUWVHQG-ZJUUUORDSA-N	-2	0	347.370	-0.384	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)CCNC(=O)[O-]	ZINC000737722897	582838054	/nfs/dbraw/zinc/83/80/54/582838054.db2.gz	DFHUIXBAZHRPHZ-UHFFFAOYSA-N	-2	0	336.347	-0.003	20	0		EBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])s1	ZINC000736155504	582922851	/nfs/dbraw/zinc/92/28/51/582922851.db2.gz	GQLLXGBPEVAOKX-DTWKUNHWSA-N	-2	0	346.386	-0.090	20	0		EBADRL
CC(C)[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1	ZINC000736376187	582931918	/nfs/dbraw/zinc/93/19/18/582931918.db2.gz	RXNGRKWSELFBQY-MRVPVSSYSA-N	-2	0	349.390	-0.056	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000737362646	583006349	/nfs/dbraw/zinc/00/63/49/583006349.db2.gz	XRKUXAPZBLQGAE-IUCAKERBSA-N	-2	0	341.345	-0.691	20	0		EBADRL
Cc1[nH]nc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C	ZINC000738249199	583045509	/nfs/dbraw/zinc/04/55/09/583045509.db2.gz	QGTXISUZSAOFKL-UHFFFAOYSA-N	-2	0	330.366	-0.202	20	0		EBADRL
Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])ccc1C(=O)[O-]	ZINC000738480006	583052939	/nfs/dbraw/zinc/05/29/39/583052939.db2.gz	YUBOEVCJOZKYJL-UHFFFAOYSA-N	-2	0	330.318	-0.828	20	0		EBADRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1F	ZINC000749143546	583125980	/nfs/dbraw/zinc/12/59/80/583125980.db2.gz	XWINEGZJWJIDOW-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1n[n-]c2ccccc2c1=O	ZINC000763443770	583260738	/nfs/dbraw/zinc/26/07/38/583260738.db2.gz	FCMLJPHOMPZJJJ-UHFFFAOYSA-N	-2	0	338.345	-0.469	20	0		EBADRL
Cn1cnc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1Cl	ZINC000776585410	583406728	/nfs/dbraw/zinc/40/67/28/583406728.db2.gz	RPUOQWNAQSKADT-SNVBAGLBSA-N	-2	0	339.757	-0.083	20	0		EBADRL
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cn1C	ZINC000821090458	583784659	/nfs/dbraw/zinc/78/46/59/583784659.db2.gz	XOJOOQMNBOOQOV-UHFFFAOYSA-N	-2	0	341.349	-0.383	20	0		EBADRL
CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CC1	ZINC000823544498	583832373	/nfs/dbraw/zinc/83/23/73/583832373.db2.gz	LEBMWWMEIIJKDR-NSHDSACASA-N	-2	0	347.393	-0.557	20	0		EBADRL
C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000824867189	583851614	/nfs/dbraw/zinc/85/16/14/583851614.db2.gz	BMBYIQXKKHLRTJ-ZETCQYMHSA-N	-2	0	346.365	-0.825	20	0		EBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000826126004	583880854	/nfs/dbraw/zinc/88/08/54/583880854.db2.gz	MBSCSHKUIDGOQT-CBAPKCEASA-N	-2	0	340.336	-0.281	20	0		EBADRL
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827403948	583920872	/nfs/dbraw/zinc/92/08/72/583920872.db2.gz	BMGFCSYQZHZQAP-VHSXEESVSA-N	-2	0	338.382	-0.374	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CSCN2C(=O)[O-])cn1	ZINC000827705764	583926440	/nfs/dbraw/zinc/92/64/40/583926440.db2.gz	DKKNIQBKHUHHTF-QMMMGPOBSA-N	-2	0	334.379	-0.239	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCN(C(=O)[O-])C2)cn1	ZINC000827707563	583926705	/nfs/dbraw/zinc/92/67/05/583926705.db2.gz	TWEXYYPOPQPKCI-LLVKDONJSA-N	-2	0	334.329	-0.200	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)n[n-]1	ZINC000829699604	583957214	/nfs/dbraw/zinc/95/72/14/583957214.db2.gz	MHYUPHXOSGUPNT-RQJHMYQMSA-N	-2	0	331.354	-0.027	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)CNC(=O)[O-])cc1C(N)=O	ZINC000831014135	583974437	/nfs/dbraw/zinc/97/44/37/583974437.db2.gz	OAAHRVCBHPQKDT-UHFFFAOYSA-N	-2	0	346.365	-0.777	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC000831016102	583974499	/nfs/dbraw/zinc/97/44/99/583974499.db2.gz	SLCQZGUOMDRAJI-UHFFFAOYSA-N	-2	0	328.346	-0.029	20	0		EBADRL
COC(=O)C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-]	ZINC000831133328	583976970	/nfs/dbraw/zinc/97/69/70/583976970.db2.gz	FOMUVGKXELVWGE-SECBINFHSA-N	-2	0	335.272	-0.224	20	0		EBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)c1ccccn1	ZINC000831389060	583982307	/nfs/dbraw/zinc/98/23/07/583982307.db2.gz	ZBDAMUSILZQDKQ-SECBINFHSA-N	-2	0	329.334	-0.345	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)CCn2ccccc2=O)C1	ZINC000831441949	583982768	/nfs/dbraw/zinc/98/27/68/583982768.db2.gz	TYXUIIORZGZQCW-SNVBAGLBSA-N	-2	0	343.361	-0.563	20	0		EBADRL
O=C(CN1CCN(C(=O)[O-])CC1=O)[N-]S(=O)(=O)c1ccsc1	ZINC000831488489	583983655	/nfs/dbraw/zinc/98/36/55/583983655.db2.gz	GEHUEXAXPBLJGU-UHFFFAOYSA-N	-2	0	347.374	-0.625	20	0		EBADRL
O=C([O-])N1CCO[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)C1	ZINC000834050832	584025498	/nfs/dbraw/zinc/02/54/98/584025498.db2.gz	GOQZGBMXPSPSIX-SECBINFHSA-N	-2	0	349.752	-0.081	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1	ZINC000834136121	584027006	/nfs/dbraw/zinc/02/70/06/584027006.db2.gz	PXIXQFGLXHYOBM-RQJHMYQMSA-N	-2	0	330.309	-0.097	20	0		EBADRL
CC(C)(O)CO[N-]C(=O)[C@H]1CC[C@@H](C(=O)[N-]OCC(C)(C)O)O1	ZINC000834628214	584036753	/nfs/dbraw/zinc/03/67/53/584036753.db2.gz	BUOJZHVWGZEGJN-AOOOYVTPSA-N	-2	0	334.369	-0.829	20	0		EBADRL
CNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849231833	584167260	/nfs/dbraw/zinc/16/72/60/584167260.db2.gz	HYKNZCNARWJYBE-NTSWFWBYSA-N	-2	0	333.288	-0.953	20	0		EBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000863954058	584380871	/nfs/dbraw/zinc/38/08/71/584380871.db2.gz	KDYSSXKNECCVBV-UHFFFAOYSA-N	-2	0	343.361	-0.229	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])s1	ZINC000863953808	584380878	/nfs/dbraw/zinc/38/08/78/584380878.db2.gz	ZQJKAPJXNKZJTN-UHFFFAOYSA-N	-2	0	337.331	-0.559	20	0		EBADRL
CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc21	ZINC000863956380	584381168	/nfs/dbraw/zinc/38/11/68/584381168.db2.gz	JEPGJQRGOGUGBV-UHFFFAOYSA-N	-2	0	342.373	-0.025	20	0		EBADRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2)C1CC1	ZINC000863961838	584381746	/nfs/dbraw/zinc/38/17/46/584381746.db2.gz	BPSHQVHPMWHIHI-VIFPVBQESA-N	-2	0	329.334	-0.419	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)OC	ZINC000863964150	584381908	/nfs/dbraw/zinc/38/19/08/584381908.db2.gz	FRLYYJOQCREHQD-DTWKUNHWSA-N	-2	0	325.383	-0.159	20	0		EBADRL
O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)n1	ZINC000739919617	599739295	/nfs/dbraw/zinc/73/92/95/599739295.db2.gz	CENOATFGNDPYCD-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cccc(-n2cnnn2)c1	ZINC000739693092	600464717	/nfs/dbraw/zinc/46/47/17/600464717.db2.gz	VKCRPASRAOEWQD-UHFFFAOYSA-N	-2	0	339.333	-0.413	20	0		EBADRL
O=C([O-])C[C@@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739650549	600670976	/nfs/dbraw/zinc/67/09/76/600670976.db2.gz	DPBFXGUDWPSVSI-MRVPVSSYSA-N	-2	0	337.361	-0.510	20	0		EBADRL
CN(C[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1)C(=O)[O-]	ZINC000739639126	602505625	/nfs/dbraw/zinc/50/56/25/602505625.db2.gz	CYMXNNMWFSOAMN-SNVBAGLBSA-N	-2	0	348.363	-0.080	20	0		EBADRL
O=C([O-])NC[C@@H]1CCCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740623970	602507478	/nfs/dbraw/zinc/50/74/78/602507478.db2.gz	PGEFWXBADCHIHR-VIFPVBQESA-N	-2	0	334.336	-0.280	20	0		EBADRL
O=C([O-])N1CC[C@@H](CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000740386757	602516473	/nfs/dbraw/zinc/51/64/73/602516473.db2.gz	FTXBLPGUALJGCT-SECBINFHSA-N	-2	0	334.336	-0.423	20	0		EBADRL
O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740626519	602778182	/nfs/dbraw/zinc/77/81/82/602778182.db2.gz	YMVQGSJDQARBOR-SCZZXKLOSA-N	-2	0	334.336	-0.376	20	0		EBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-]	ZINC000739821435	603171013	/nfs/dbraw/zinc/17/10/13/603171013.db2.gz	WPIUCIKSKASXOK-UHFFFAOYSA-N	-2	0	348.381	-0.532	20	0		EBADRL
CCNC(=O)N[N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1	ZINC000064940100	649963833	/nfs/dbraw/zinc/96/38/33/649963833.db2.gz	DVZRAGLCDSZUBT-UHFFFAOYSA-N	-2	0	347.349	-0.086	20	0		EBADRL
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N[C@H](CCO)C(=O)[O-]	ZINC000857842344	650041610	/nfs/dbraw/zinc/04/16/10/650041610.db2.gz	LBCSFZCTGJTJBJ-MRVPVSSYSA-N	-2	0	333.318	-0.487	20	0		EBADRL
O=C([O-])COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000915185665	650266929	/nfs/dbraw/zinc/26/69/29/650266929.db2.gz	OFSFJHDOIUJIGA-VIFPVBQESA-N	-3	0	347.301	-0.644	20	0		EBADRL
O=C([O-])c1cc2c(c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1)CCC2	ZINC000917857649	650284782	/nfs/dbraw/zinc/28/47/82/650284782.db2.gz	SOBVOQRJWZBWCR-JTQLQIEISA-N	-2	0	329.330	-0.403	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])o1	ZINC001222785390	811660810	/nfs/dbraw/zinc/66/08/10/811660810.db2.gz	MQBRFBKPURNXED-XVKPBYJWSA-N	-2	0	330.245	-0.354	20	0		EBADRL
COC(=O)c1csc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223013704	811676794	/nfs/dbraw/zinc/67/67/94/811676794.db2.gz	RTVNOBSSUOJRJV-SSDLBLMSSA-N	-2	0	347.301	-0.491	20	0		EBADRL
COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1ccccc1	ZINC001223072980	811681279	/nfs/dbraw/zinc/68/12/79/811681279.db2.gz	QWAWFUGTPXCRQS-ZMLRMANQSA-N	-2	0	340.284	-0.020	20	0		EBADRL
COc1ccnc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1OC	ZINC001223100309	811683073	/nfs/dbraw/zinc/68/30/73/811683073.db2.gz	QNMUXNSYPHRQDJ-MRVPVSSYSA-N	-2	0	337.221	-0.388	20	0		EBADRL
O=C(OCc1cccc2c1OCCO2)[C@H](O)COP(=O)([O-])[O-]	ZINC001223284597	811694529	/nfs/dbraw/zinc/69/45/29/811694529.db2.gz	ZXXUSVAGORZUMB-SECBINFHSA-N	-2	0	334.217	-0.029	20	0		EBADRL
COC(=O)c1cccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001223298406	811696586	/nfs/dbraw/zinc/69/65/86/811696586.db2.gz	MFWOIGJSWOFRRK-SECBINFHSA-N	-2	0	335.205	-0.618	20	0		EBADRL
Cc1nc(C)c(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1C	ZINC001224152226	811746922	/nfs/dbraw/zinc/74/69/22/811746922.db2.gz	UDKPTLIFYFCIEK-BXKDBHETSA-N	-2	0	326.305	-0.019	20	0		EBADRL
COC(=O)Cc1ccccc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001224237065	811750232	/nfs/dbraw/zinc/75/02/32/811750232.db2.gz	MXRRBVFKMGCXGO-LLVKDONJSA-N	-2	0	348.244	-0.085	20	0		EBADRL
NC(=O)c1cc(Cl)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225522184	811815464	/nfs/dbraw/zinc/81/54/64/811815464.db2.gz	WWYWBFHMSHEZHW-SSDOTTSWSA-N	-2	0	339.624	-0.186	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001225679221	811822650	/nfs/dbraw/zinc/82/26/50/811822650.db2.gz	QJHYDGGEBXXOJW-ONGXEEELSA-N	-2	0	326.257	-0.085	20	0		EBADRL
COC(=O)c1cncc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001226323452	811859258	/nfs/dbraw/zinc/85/92/58/811859258.db2.gz	WMSSCPLNBJJJFI-PSASIEDQSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C(Oc1cc(=O)[n-]c(C(F)(F)F)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226345353	811860739	/nfs/dbraw/zinc/86/07/39/811860739.db2.gz	ASADRJKBNFLKEE-GSVOUGTGSA-N	-3	0	348.126	-0.423	20	0		EBADRL
CC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1O	ZINC001226483661	811866484	/nfs/dbraw/zinc/86/64/84/811866484.db2.gz	XWCZOIHQNLOQQC-WRWORJQWSA-N	-2	0	342.256	-0.258	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001226699215	811880229	/nfs/dbraw/zinc/88/02/29/811880229.db2.gz	OXBXMKAJAFQPLV-KWQFWETISA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(Br)ncn1)[C@@H](O)C(=O)[O-]	ZINC001227036544	811899115	/nfs/dbraw/zinc/89/91/15/811899115.db2.gz	ICEMQOJWVBEASU-SPGJFGJESA-N	-2	0	349.093	-0.319	20	0		EBADRL
Cc1nc(=O)[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1Cl	ZINC001227111327	811904068	/nfs/dbraw/zinc/90/40/68/811904068.db2.gz	HBEKZHKTGDEVAY-SCSAIBSYSA-N	-3	0	328.601	-0.480	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1	ZINC001227130324	811904911	/nfs/dbraw/zinc/90/49/11/811904911.db2.gz	CTRSSETZSVYMBR-QUBYGPBYSA-N	-2	0	342.260	-0.905	20	0		EBADRL
COC(=O)c1ccc(O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228192633	811968626	/nfs/dbraw/zinc/96/86/26/811968626.db2.gz	NETPBZQFZAJBNI-MRVPVSSYSA-N	-2	0	336.189	-0.446	20	0		EBADRL
O=C(Oc1n[nH]c(=O)c2ccccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001228276316	811972406	/nfs/dbraw/zinc/97/24/06/811972406.db2.gz	ZVHJKVPFAFEFCU-MRVPVSSYSA-N	-2	0	330.189	-0.289	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)c2ccccc21)[C@H](O)C(=O)[O-]	ZINC001228274242	811972888	/nfs/dbraw/zinc/97/28/88/811972888.db2.gz	PTNCUZIVTJTHNZ-WPRPVWTQSA-N	-2	0	336.256	-0.223	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2[nH]cnc21)[C@H](O)C(=O)[O-]	ZINC001228506901	811984628	/nfs/dbraw/zinc/98/46/28/811984628.db2.gz	ACQFAULBBQZORD-CVYQJGLWSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)c2cccnc21)[C@@H](O)C(=O)[O-]	ZINC001228709995	811995543	/nfs/dbraw/zinc/99/55/43/811995543.db2.gz	KGIZHOVRHYYQEC-HZGVNTEJSA-N	-2	0	337.244	-0.828	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc2c(cc1O)CCC2=O)[C@@H](O)C(=O)[O-]	ZINC001228855763	812000071	/nfs/dbraw/zinc/00/00/71/812000071.db2.gz	QGNJPQBFWAYABC-AMIZOPFISA-N	-2	0	338.268	-0.037	20	0		EBADRL
O=C(Oc1cc(C(F)(F)F)cnn1)[C@H](O)COP(=O)([O-])[O-]	ZINC001229745113	812054447	/nfs/dbraw/zinc/05/44/47/812054447.db2.gz	FFTZHHMVYJAEDN-RXMQYKEDSA-N	-2	0	332.127	-0.129	20	0		EBADRL
Cc1ncc2c(c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])COC2	ZINC001229794047	812055662	/nfs/dbraw/zinc/05/56/62/812055662.db2.gz	DVIQWFKNPRNKAA-LDYMZIIASA-N	-2	0	325.273	-0.138	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2c1SCC2)[C@H](O)C(=O)[O-]	ZINC001230791667	812236112	/nfs/dbraw/zinc/23/61/12/812236112.db2.gz	GMAYYRZOHREEJC-FFWSUHOLSA-N	-2	0	344.301	-0.728	20	0		EBADRL
COC(=O)c1ccc(F)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001230901031	812253813	/nfs/dbraw/zinc/25/38/13/812253813.db2.gz	PGEHXSALXQBCNQ-MRVPVSSYSA-N	-2	0	338.180	-0.012	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc2c(cc1O)C=NCC2)[C@H](O)C(=O)[O-]	ZINC001230921057	812256529	/nfs/dbraw/zinc/25/65/29/812256529.db2.gz	CWVSQEBBVATWDK-ZANVPECISA-N	-2	0	337.284	-0.191	20	0		EBADRL
CNC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001233983694	812374121	/nfs/dbraw/zinc/37/41/21/812374121.db2.gz	XZGFLMWMPLZIGC-KOLCDFICSA-N	-2	0	325.273	-0.512	20	0		EBADRL
COC[C@@H](O)CNc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001252822119	812668146	/nfs/dbraw/zinc/66/81/46/812668146.db2.gz	GFUZSRKXWYRUEH-ZETCQYMHSA-N	-2	0	341.363	-0.401	20	0		EBADRL
COc1ccc(C(=O)NCC(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001180808627	833112756	/nfs/dbraw/zinc/11/27/56/833112756.db2.gz	XJFKSJRBGKOMKK-UHFFFAOYSA-N	-2	0	332.249	-0.350	20	0		EBADRL
O=C(N[C@@H]1SC(=O)[N-]C1=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148926116	830556726	/nfs/dbraw/zinc/55/67/26/830556726.db2.gz	DLAJNDRZRLDAIV-SECBINFHSA-N	-2	0	332.315	-0.322	20	0		EBADRL
O=C([O-])CCC(=O)CNC(=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148932848	830558481	/nfs/dbraw/zinc/55/84/81/830558481.db2.gz	BLSUUEITDRPPMU-UHFFFAOYSA-N	-2	0	331.302	-0.197	20	0		EBADRL
NC(=O)[C@@H]1CCCN1c1cc(NCCOP(=O)([O-])[O-])ncn1	ZINC001157795661	831593923	/nfs/dbraw/zinc/59/39/23/831593923.db2.gz	JXOKJXFJHPDDRM-QMMMGPOBSA-N	-2	0	331.269	-0.548	20	0		EBADRL
CCNS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1	ZINC001157795992	831594259	/nfs/dbraw/zinc/59/42/59/831594259.db2.gz	PSARMGMQUSLRIX-UHFFFAOYSA-N	-2	0	325.283	-0.099	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	ZINC001351715967	832274198	/nfs/dbraw/zinc/27/41/98/832274198.db2.gz	GJCYSZXPCHPVQJ-UHFFFAOYSA-N	-2	0	336.347	-0.155	20	0		EBADRL
C[C@]1(c2cccnc2NCCOP(=O)([O-])[O-])NC(=O)NC1=O	ZINC001168589396	832427825	/nfs/dbraw/zinc/42/78/25/832427825.db2.gz	JEGUBDGUCXWRFH-LLVKDONJSA-N	-2	0	330.237	-0.343	20	0		EBADRL
O=C(NC[C@H]1CNC(=O)CO1)c1ccccc1OP(=O)([O-])[O-]	ZINC001189899788	834207332	/nfs/dbraw/zinc/20/73/32/834207332.db2.gz	IHIKCYOQWKOQLG-MRVPVSSYSA-N	-2	0	330.233	-0.597	20	0		EBADRL
CN(C[C@@H](O)CO)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189923345	834209434	/nfs/dbraw/zinc/20/94/34/834209434.db2.gz	IOVMNGHSPAYRAR-SECBINFHSA-N	-2	0	333.318	-0.943	20	0		EBADRL
NC(=O)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)C1	ZINC001189923616	834209602	/nfs/dbraw/zinc/20/96/02/834209602.db2.gz	NEXYHYVZKZOKBZ-SSDOTTSWSA-N	-2	0	342.329	-0.421	20	0		EBADRL
Cn1ccnc1S(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001193597916	834913728	/nfs/dbraw/zinc/91/37/28/834913728.db2.gz	KNVGREZWQNPQAL-UHFFFAOYSA-N	-2	0	342.358	-0.347	20	0		EBADRL
CS(=O)(=O)[N-]c1ccsc1C(=O)NCCOP(=O)([O-])[O-]	ZINC001196740497	835459380	/nfs/dbraw/zinc/45/93/80/835459380.db2.gz	YCCJFCOLLYJODV-UHFFFAOYSA-N	-3	0	344.307	-0.041	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cnc(OC2CCOCC2)nc1	ZINC001199519944	835822298	/nfs/dbraw/zinc/82/22/98/835822298.db2.gz	CYXMDBADTKJGRU-UHFFFAOYSA-N	-2	0	347.264	-0.127	20	0		EBADRL
COc1ccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001204807244	836531028	/nfs/dbraw/zinc/53/10/28/836531028.db2.gz	ZZDLIPZLZBQFNA-MFKMUULPSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(C(=O)[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001205688654	836585934	/nfs/dbraw/zinc/58/59/34/836585934.db2.gz	CBMAFCQKLVFAHJ-MWLCHTKSSA-N	-3	0	326.257	-0.036	20	0		EBADRL
O=C(CSCC(=O)[N-]OC[C@@H]1CCOC1)[N-]OC[C@@H]1CCOC1	ZINC001324452674	839660845	/nfs/dbraw/zinc/66/08/45/839660845.db2.gz	RLYKPHCTSGMMBL-VXGBXAGGSA-N	-2	0	348.421	-0.112	20	0		EBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001594895718	954563269	/nfs/dbraw/zinc/56/32/69/954563269.db2.gz	HFPXSLQNIQJRLH-CAHLUQPWSA-N	-3	0	337.258	-0.394	20	0		EBADRL
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1C(=O)[O-]	ZINC000013028450	956908256	/nfs/dbraw/zinc/90/82/56/956908256.db2.gz	AKCQHNUZCFXUCV-KCJUWKMLSA-N	-2	0	329.330	-0.098	20	0		EBADRL
CC(C)CN(Cc1nnn[n-]1)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001573523349	959135444	/nfs/dbraw/zinc/13/54/44/959135444.db2.gz	YEJLALYVTQRIGB-SNVBAGLBSA-N	-2	0	338.368	-0.493	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1=O	ZINC001573543691	959196119	/nfs/dbraw/zinc/19/61/19/959196119.db2.gz	KLZVCVUTPKIXKI-ZBEGNZNMSA-N	-2	0	337.376	-0.066	20	0		EBADRL
C[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC001588576468	959233824	/nfs/dbraw/zinc/23/38/24/959233824.db2.gz	RUKRVQVICAGVIC-SSDOTTSWSA-N	-2	0	325.306	-0.812	20	0		EBADRL
CCOC(=O)c1cnc(NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)[n-]1	ZINC001573905758	961453848	/nfs/dbraw/zinc/45/38/48/961453848.db2.gz	OEPASKRBSROIKD-MRVPVSSYSA-N	-2	0	338.320	-0.152	20	0		EBADRL
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC001571180735	962154181	/nfs/dbraw/zinc/15/41/81/962154181.db2.gz	DHFCIQQWFSZBPT-JTQLQIEISA-N	-2	0	328.412	-0.038	20	0		EBADRL
O=C([O-])CN1CCC[C@H](C(=O)NCCc2n[n-]c(=S)o2)C1=O	ZINC001574719907	962755812	/nfs/dbraw/zinc/75/58/12/962755812.db2.gz	NYWNUAFEFLYXDP-SSDOTTSWSA-N	-2	0	328.350	-0.660	20	0		EBADRL
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1=O	ZINC001604203281	972665989	/nfs/dbraw/zinc/66/59/89/972665989.db2.gz	QVNDTYIMCFCBSB-ZCFIWIBFSA-N	-2	0	331.306	-0.954	20	0		EBADRL
COC(=O)C1CC2(C1)CN(C(=O)CCc1nnn[n-]1)C[C@H]2C(=O)[O-]	ZINC001604280091	972854705	/nfs/dbraw/zinc/85/47/05/972854705.db2.gz	KOSNYCLJKXAIJN-PUUHTONNSA-N	-2	0	337.336	-0.755	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)c2cnccn2)CCOCC1	ZINC001606071702	973219327	/nfs/dbraw/zinc/21/93/27/973219327.db2.gz	NVGRJCQJDZGTOT-UHFFFAOYSA-N	-2	0	329.334	-0.447	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1	ZINC001606272700	973645110	/nfs/dbraw/zinc/64/51/10/973645110.db2.gz	ADBDEQQXWCSVKF-UHFFFAOYSA-N	-2	0	341.301	-0.357	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001591858965	976152668	/nfs/dbraw/zinc/15/26/68/976152668.db2.gz	LXQIEIHBMJMTFS-CSMHCCOUSA-N	-2	0	326.271	-0.264	20	0		EBADRL
C[C@@H](CS(=O)(=O)N[C@@H](Cn1cc(Cl)cn1)C(=O)[O-])C(=O)[O-]	ZINC001592809600	979489931	/nfs/dbraw/zinc/48/99/31/979489931.db2.gz	XQJIGCIDZAVGER-XPUUQOCRSA-N	-2	0	339.757	-0.370	20	0		EBADRL
CC(=O)N1c2ccccc2C[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001589099185	985305781	/nfs/dbraw/zinc/30/57/81/985305781.db2.gz	UPWISGIWZODTBT-NSHDSACASA-N	-2	0	326.330	-0.505	20	0		EBADRL
Cc1[nH]c(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c(C)c1C(=O)[O-]	ZINC001599952683	985636112	/nfs/dbraw/zinc/63/61/12/985636112.db2.gz	KBCARYJKTJIDGA-UHFFFAOYSA-N	-2	0	331.350	-0.475	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21	ZINC001596969037	986188661	/nfs/dbraw/zinc/18/86/61/986188661.db2.gz	UHEGBBWULLJYQS-QMMMGPOBSA-N	-2	0	325.325	-0.217	20	0		EBADRL
C[C@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CC(=O)[O-])NC1=O	ZINC001594650337	986868495	/nfs/dbraw/zinc/86/84/95/986868495.db2.gz	CWOZRCUKRBXOPS-ZCFIWIBFSA-N	-2	0	328.302	-0.450	20	0		EBADRL
C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nnn[n-]1	ZINC001594656241	986903895	/nfs/dbraw/zinc/90/38/95/986903895.db2.gz	KNISTOPFSGEIIY-JGVFFNPUSA-N	-2	0	342.381	-0.987	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sccc1-n1ccnn1	ZINC001589491173	987057329	/nfs/dbraw/zinc/05/73/29/987057329.db2.gz	ICQJIKQEDRHMKX-LURJTMIESA-N	-2	0	330.347	-0.139	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC001589491245	987058085	/nfs/dbraw/zinc/05/80/85/987058085.db2.gz	JBRJLWAMYZMZGI-MRVPVSSYSA-N	-2	0	328.350	-0.391	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)nn1	ZINC001589491246	987058456	/nfs/dbraw/zinc/05/84/56/987058456.db2.gz	JBRJLWAMYZMZGI-QMMMGPOBSA-N	-2	0	328.350	-0.391	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC001589496645	987079836	/nfs/dbraw/zinc/07/98/36/987079836.db2.gz	ZOAVSQROBWVLRV-XHNCKOQMSA-N	-2	0	346.361	-0.919	20	0		EBADRL
CCC(=O)C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	ZINC001594695628	987116676	/nfs/dbraw/zinc/11/66/76/987116676.db2.gz	JWCHPPAUGGLWLK-JTQLQIEISA-N	-2	0	336.366	-0.560	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cn1	ZINC001589660768	987636902	/nfs/dbraw/zinc/63/69/02/987636902.db2.gz	PHOBYOXHJKPKHQ-SECBINFHSA-N	-2	0	338.320	-0.283	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H](C(=O)[O-])O1	ZINC001599851084	989013327	/nfs/dbraw/zinc/01/33/27/989013327.db2.gz	NPDDKLVLGDKHBJ-SFXRXQKFSA-N	-2	0	342.348	-0.554	20	0		EBADRL
C[C@@H]1[C@H]2C[C@]1(C(=O)[O-])N(S(=O)(=O)c1cnn(CC(=O)[O-])c1)C2	ZINC001599881412	989488676	/nfs/dbraw/zinc/48/86/76/989488676.db2.gz	BCNVDELMUTXROS-LWINAJNOSA-N	-2	0	329.334	-0.549	20	0		EBADRL
CCn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)n1	ZINC001597877351	989696319	/nfs/dbraw/zinc/69/63/19/989696319.db2.gz	YJLFSJZMBMQQLF-UHFFFAOYSA-N	-2	0	344.393	-0.017	20	0		EBADRL
CC(C)(CCNC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(=O)[O-]	ZINC001590670759	990375155	/nfs/dbraw/zinc/37/51/55/990375155.db2.gz	GPKUWPKNVIWXFE-SECBINFHSA-N	-2	0	330.337	-0.694	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1	ZINC001598470710	992021721	/nfs/dbraw/zinc/02/17/21/992021721.db2.gz	PCZZIGXZPBUYIF-UHFFFAOYSA-N	-2	0	349.365	-0.667	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])cn1	ZINC001599760404	992114256	/nfs/dbraw/zinc/11/42/56/992114256.db2.gz	OAPZQMWROSVYRT-LDYMZIIASA-N	-2	0	343.361	-0.327	20	0		EBADRL
CN1C(=O)c2ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc2C1=O	ZINC001598581081	993336500	/nfs/dbraw/zinc/33/65/00/993336500.db2.gz	CQEUWLLGQGAMML-UHFFFAOYSA-N	-2	0	349.299	-0.237	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1C(=O)[O-]	ZINC001599616109	994016255	/nfs/dbraw/zinc/01/62/55/994016255.db2.gz	VRDPZOUAERPPIJ-WKEGUHRASA-N	-2	0	333.318	-0.494	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c(C(=O)[O-])c1	ZINC001599616775	994025844	/nfs/dbraw/zinc/02/58/44/994025844.db2.gz	BDFUTOHRZJZZIS-UHFFFAOYSA-N	-2	0	343.317	-0.519	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1	ZINC001598690773	995061813	/nfs/dbraw/zinc/06/18/13/995061813.db2.gz	ANSCOQPIZQYZJY-MRVPVSSYSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598692089	995081197	/nfs/dbraw/zinc/08/11/97/995081197.db2.gz	NWSKETGWAGLMST-QMMMGPOBSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC(=O)C1(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	ZINC001598717069	995424513	/nfs/dbraw/zinc/42/45/13/995424513.db2.gz	ZAYLQPIYBWKWHK-UHFFFAOYSA-N	-2	0	334.350	-0.903	20	0		EBADRL
C[C@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)C(C)(C)C(=O)[O-]	ZINC001593541598	995609445	/nfs/dbraw/zinc/60/94/45/995609445.db2.gz	HIBDXPXIETUYKN-ZETCQYMHSA-N	-2	0	336.304	-0.317	20	0		EBADRL
COC(=O)[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC001598893683	997038940	/nfs/dbraw/zinc/03/89/40/997038940.db2.gz	QZZPKQNAMHTRJG-MRVPVSSYSA-N	-2	0	342.395	-0.511	20	0		EBADRL
CO[N-]C(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC	ZINC001599320616	997574678	/nfs/dbraw/zinc/57/46/78/997574678.db2.gz	KXKACIAFXLOUJD-UHFFFAOYSA-N	-2	0	336.297	-0.512	20	0		EBADRL
COCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC001599232609	997888713	/nfs/dbraw/zinc/88/87/13/997888713.db2.gz	OSSAIYQHMSXZMK-QMMMGPOBSA-N	-2	0	332.334	-0.110	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)OC	ZINC001599166981	998556580	/nfs/dbraw/zinc/55/65/80/998556580.db2.gz	SQHNFQQLUZZDQU-OUAUKWLOSA-N	-2	0	337.394	-0.015	20	0		EBADRL
C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)C1	ZINC001594209051	998808403	/nfs/dbraw/zinc/80/84/03/998808403.db2.gz	BNGUGRHBTXJBEB-IQMDTDKHSA-N	-2	0	326.349	-0.121	20	0		EBADRL
C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001594294776	999134063	/nfs/dbraw/zinc/13/40/63/999134063.db2.gz	ANPWYECZLNGPMO-DTWKUNHWSA-N	-2	0	331.350	-0.159	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1	ZINC001260241424	1130543569	/nfs/dbraw/zinc/54/35/69/1130543569.db2.gz	KOGLGQJYKGHNCJ-UHFFFAOYSA-N	-2	0	339.262	-0.139	20	0		EBADRL
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1	ZINC001363281044	1131868596	/nfs/dbraw/zinc/86/85/96/1131868596.db2.gz	DHBBGJHDLJZVDX-SNVBAGLBSA-N	-2	0	335.242	-0.434	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)C1CN(C(=O)C2CCCC2)C1	ZINC000372262289	304066097	/nfs/dbraw/zinc/06/60/97/304066097.db2.gz	QIHBKMYOQNPACS-UHFFFAOYSA-N	-2	0	348.377	-0.812	20	0		EBADRL
COCCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000322854845	377194376	/nfs/dbraw/zinc/19/43/76/377194376.db2.gz	RIAHUITVJISKCQ-LLVKDONJSA-N	-2	0	347.345	-0.082	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000317442400	377218068	/nfs/dbraw/zinc/21/80/68/377218068.db2.gz	LZWVXUSKWQOPKR-DTWKUNHWSA-N	-2	0	337.350	-0.623	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000596034807	378050848	/nfs/dbraw/zinc/05/08/48/378050848.db2.gz	MCPDQXNYBRLGJF-SSDOTTSWSA-N	-2	0	349.317	-0.172	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000274979237	379729910	/nfs/dbraw/zinc/72/99/10/379729910.db2.gz	XMNUNZADKJSVFT-VIFPVBQESA-N	-2	0	345.329	-0.012	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275089446	379735571	/nfs/dbraw/zinc/73/55/71/379735571.db2.gz	JYDQJHHBNMEHFE-CYBMUJFWSA-N	-2	0	345.377	-0.023	20	0		EBADRL
O=C([O-])C[C@@]1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOCC2)C1	ZINC000547601925	380149297	/nfs/dbraw/zinc/14/92/97/380149297.db2.gz	PMATWGMBAAOGTQ-ZDUSSCGKSA-N	-2	0	335.378	-0.006	20	0		EBADRL
C[C@@](CNS(=O)(=O)c1cccc(C(N)=O)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547934485	380172495	/nfs/dbraw/zinc/17/24/95/380172495.db2.gz	OWCYCQXTSOMGRM-ZDUSSCGKSA-N	-2	0	344.345	-0.371	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000548212119	380190873	/nfs/dbraw/zinc/19/08/73/380190873.db2.gz	ILHNUDAMTJXZCM-SSDOTTSWSA-N	-2	0	349.317	-0.090	20	0		EBADRL
O=C([O-])[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000548553438	380214457	/nfs/dbraw/zinc/21/44/57/380214457.db2.gz	CDSDSGYGFMUAOH-MRVPVSSYSA-N	-2	0	340.317	-0.423	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000548580240	380217804	/nfs/dbraw/zinc/21/78/04/380217804.db2.gz	NULHLBUNZDLYAP-BDAKNGLRSA-N	-2	0	343.361	-0.232	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000269273487	380519336	/nfs/dbraw/zinc/51/93/36/380519336.db2.gz	OFKWHPHDLBROOT-VIFPVBQESA-N	-2	0	330.318	-0.748	20	0		EBADRL
COC(=O)c1cccc(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000275043850	380567614	/nfs/dbraw/zinc/56/76/14/380567614.db2.gz	VXLWYCCTFAFROM-UHFFFAOYSA-N	-2	0	345.329	-0.226	20	0		EBADRL
CNC(=O)Cn1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC000348908983	381419424	/nfs/dbraw/zinc/41/94/24/381419424.db2.gz	QDAMHJYYINOGDO-UHFFFAOYSA-N	-2	0	341.349	-0.235	20	0		EBADRL
CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])C1	ZINC000572257103	381653268	/nfs/dbraw/zinc/65/32/68/381653268.db2.gz	CFXCWUUHUPMFQH-NGZCFLSTSA-N	-2	0	339.348	-0.126	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])oc1C	ZINC000275039649	292002689	/nfs/dbraw/zinc/00/26/89/292002689.db2.gz	VGSICPXEVGHGFC-UHFFFAOYSA-N	-2	0	335.290	-0.465	20	0		EBADRL
Cc1cnn(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000285256343	154889072	/nfs/dbraw/zinc/88/90/72/154889072.db2.gz	UZGZBMNIUNUQKH-IUCAKERBSA-N	-2	0	331.350	-0.475	20	0		EBADRL
Cc1c(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cnn1C	ZINC000291900048	155024275	/nfs/dbraw/zinc/02/42/75/155024275.db2.gz	QIAIMOUNIVNBDX-GFCCVEGCSA-N	-2	0	331.350	-0.331	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000365269740	419247608	/nfs/dbraw/zinc/24/76/08/419247608.db2.gz	WTUSBCVULOXWAI-ZCFIWIBFSA-N	-2	0	336.274	-0.443	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000530137388	420779320	/nfs/dbraw/zinc/77/93/20/420779320.db2.gz	OZDZNTCAXPRTIU-BYPYZUCNSA-N	-2	0	345.255	-0.355	20	0		EBADRL
O=C([O-])[C@H](CCF)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000656165633	420883263	/nfs/dbraw/zinc/88/32/63/420883263.db2.gz	XEJGHQCAAQBQGM-ZETCQYMHSA-N	-2	0	346.296	-0.473	20	0		EBADRL
COC(=O)c1coc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1	ZINC000353753452	421251869	/nfs/dbraw/zinc/25/18/69/421251869.db2.gz	LFJGAWBUSVEHRC-UHFFFAOYSA-N	-2	0	346.346	0.542	20	0		EBADRL
O=C([O-])c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1	ZINC000424236993	265053228	/nfs/dbraw/zinc/05/32/28/265053228.db2.gz	HHIYAHCEMDHPSZ-SNVBAGLBSA-N	-2	0	327.314	-0.291	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1C	ZINC000596033425	545801613	/nfs/dbraw/zinc/80/16/13/545801613.db2.gz	VJHKLDNKLUXYOP-ZETCQYMHSA-N	-2	0	349.317	-0.029	20	0		EBADRL
CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000681577982	546307917	/nfs/dbraw/zinc/30/79/17/546307917.db2.gz	JHRGIMHCVVVRBF-QMMMGPOBSA-N	-2	0	347.393	-0.001	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000731048604	582834073	/nfs/dbraw/zinc/83/40/73/582834073.db2.gz	BEIYBKFPAUFBOV-VIFPVBQESA-N	-2	0	331.302	-0.321	20	0		EBADRL
C[C@H](Sc1nncn1C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000736715133	582951052	/nfs/dbraw/zinc/95/10/52/582951052.db2.gz	NCSMDBXBEKZMRI-ZETCQYMHSA-N	-2	0	336.395	-0.394	20	0		EBADRL
CCC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1	ZINC000736839649	582960474	/nfs/dbraw/zinc/96/04/74/582960474.db2.gz	GWVGKIOZBZITQJ-SNVBAGLBSA-N	-2	0	334.394	-0.054	20	0		EBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])c1	ZINC000738176757	583044487	/nfs/dbraw/zinc/04/44/87/583044487.db2.gz	YAUILQBXUWVHQG-NXEZZACHSA-N	-2	0	347.370	-0.384	20	0		EBADRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1C	ZINC000748674132	583122403	/nfs/dbraw/zinc/12/24/03/583122403.db2.gz	OOKSZLXLVOSIBD-VIFPVBQESA-N	-2	0	344.345	-0.391	20	0		EBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000768496661	583315204	/nfs/dbraw/zinc/31/52/04/583315204.db2.gz	NHBYJZNYTHVCPL-UHFFFAOYSA-N	-2	0	334.281	-0.997	20	0		EBADRL
Cn1c(Cl)ncc1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000776585374	583406622	/nfs/dbraw/zinc/40/66/22/583406622.db2.gz	WYGVUYRXJUOBBX-JTQLQIEISA-N	-2	0	339.757	-0.083	20	0		EBADRL
Cn1c(Cl)ncc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000776634771	583407667	/nfs/dbraw/zinc/40/76/67/583407667.db2.gz	NCDIYKKMZMXHOZ-RXMQYKEDSA-N	-2	0	325.730	-0.473	20	0		EBADRL
O=C(C=CC=CC(=O)OCc1n[nH]c(=O)[n-]1)OCc1n[nH]c(=O)[n-]1	ZINC000797880947	583601610	/nfs/dbraw/zinc/60/16/10/583601610.db2.gz	HQORWDCAYDGATH-ZPUQHVIOSA-N	-2	0	336.264	-0.767	20	0		EBADRL
C[C@@]1(c2ccc(C(=O)OCC(=O)NCC(=O)[O-])cc2)NC(=O)NC1=O	ZINC000820215003	583768340	/nfs/dbraw/zinc/76/83/40/583768340.db2.gz	QAOTZCIGAIAUQY-HNNXBMFYSA-N	-2	0	349.299	-0.901	20	0		EBADRL
Cn1c(=O)c2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)cc2[n-]c1=S	ZINC000820289447	583770953	/nfs/dbraw/zinc/77/09/53/583770953.db2.gz	VJCVHGIPHLVKST-UHFFFAOYSA-N	-2	0	334.317	-0.391	20	0		EBADRL
CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1	ZINC000823544497	583832491	/nfs/dbraw/zinc/83/24/91/583832491.db2.gz	LEBMWWMEIIJKDR-LLVKDONJSA-N	-2	0	347.393	-0.557	20	0		EBADRL
CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[nH]n2)COC1	ZINC000824782905	583849894	/nfs/dbraw/zinc/84/98/94/583849894.db2.gz	AEYBHVCIZFHQAI-UHFFFAOYSA-N	-2	0	337.361	-0.151	20	0		EBADRL
CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1	ZINC000826112885	583879183	/nfs/dbraw/zinc/87/91/83/583879183.db2.gz	ACVILHMXDVMRPI-UHFFFAOYSA-N	-2	0	332.320	-0.183	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)C1(NC(=O)[O-])CC1	ZINC000827299612	583918466	/nfs/dbraw/zinc/91/84/66/583918466.db2.gz	TWWJWQPJSYEDJC-MRVPVSSYSA-N	-2	0	349.365	-0.825	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000827304604	583918674	/nfs/dbraw/zinc/91/86/74/583918674.db2.gz	YHHUGGGGVKLYSA-QMMMGPOBSA-N	-2	0	339.333	-0.422	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000828671038	583944875	/nfs/dbraw/zinc/94/48/75/583944875.db2.gz	PSCUYPJUTDFVBB-LBPRGKRZSA-N	-2	0	336.366	-0.224	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C[C@H]1CCCO1)C(=O)[O-]	ZINC000828903017	583948259	/nfs/dbraw/zinc/94/82/59/583948259.db2.gz	JWXRAZGWOJDCDI-VHSXEESVSA-N	-2	0	338.382	-0.374	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000829002750	583949893	/nfs/dbraw/zinc/94/98/93/583949893.db2.gz	XUWFEHVSXYOHNA-NXEZZACHSA-N	-2	0	338.382	-0.468	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)C1CCN(C(=O)[O-])CC1	ZINC000829002806	583949942	/nfs/dbraw/zinc/94/99/42/583949942.db2.gz	YPQMKROVKDKMQJ-UHFFFAOYSA-N	-2	0	338.382	-0.515	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000829506531	583953908	/nfs/dbraw/zinc/95/39/08/583953908.db2.gz	DJUSTZWFVWGZPF-NSHDSACASA-N	-2	0	344.345	-0.121	20	0		EBADRL
Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c(=O)[nH]1	ZINC000830225604	583965663	/nfs/dbraw/zinc/96/56/63/583965663.db2.gz	RJLHFPKALJZBHD-MRVPVSSYSA-N	-2	0	329.334	-0.092	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cc1	ZINC000831444762	583982915	/nfs/dbraw/zinc/98/29/15/583982915.db2.gz	OSUOTXXZANSCJG-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000831474279	583983212	/nfs/dbraw/zinc/98/32/12/583983212.db2.gz	NOUFRWMYIFALGM-NXEZZACHSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)C1	ZINC000831574173	583986211	/nfs/dbraw/zinc/98/62/11/583986211.db2.gz	RPWYIOOQZLGRJU-QWRGUYRKSA-N	-2	0	332.320	-0.216	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H](NC(=O)[O-])C(C)C	ZINC000831767831	583991377	/nfs/dbraw/zinc/99/13/77/583991377.db2.gz	SWJPRRQOQCLZQM-VIFPVBQESA-N	-2	0	326.371	-0.612	20	0		EBADRL
O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@@H](c3nnn[n-]3)C2)C1	ZINC000831998764	583994331	/nfs/dbraw/zinc/99/43/31/583994331.db2.gz	WBBGDDJNRAKJKS-VHSXEESVSA-N	-2	0	340.340	-0.741	20	0		EBADRL
O=C([O-])N[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1	ZINC000832325680	583997302	/nfs/dbraw/zinc/99/73/02/583997302.db2.gz	MUEJDWCSMCLJBU-VHSXEESVSA-N	-2	0	335.382	-0.494	20	0		EBADRL
O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1F	ZINC000833148887	584006398	/nfs/dbraw/zinc/00/63/98/584006398.db2.gz	SSAYIMZNHFPLAR-UHFFFAOYSA-N	-2	0	332.309	-0.169	20	0		EBADRL
O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CCNC(=O)C2)cc1	ZINC000833355025	584009020	/nfs/dbraw/zinc/00/90/20/584009020.db2.gz	GXGKPRHCDSMGOI-LLVKDONJSA-N	-2	0	340.357	-0.143	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-])cc1	ZINC000833700726	584014180	/nfs/dbraw/zinc/01/41/80/584014180.db2.gz	QHHOSXAOTFMSKP-ZETCQYMHSA-N	-2	0	329.334	-0.493	20	0		EBADRL
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000833945872	584020318	/nfs/dbraw/zinc/02/03/18/584020318.db2.gz	JWNHCEDQEQBSDI-SNVBAGLBSA-N	-2	0	344.393	-0.104	20	0		EBADRL
O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000834060762	584025633	/nfs/dbraw/zinc/02/56/33/584025633.db2.gz	VCGAWIBZNDUUOU-JTQLQIEISA-N	-2	0	330.337	-0.153	20	0		EBADRL
O=C([O-])Nc1cnc(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)cn1	ZINC000834276959	584030407	/nfs/dbraw/zinc/03/04/07/584030407.db2.gz	CWPQXIZELBSRFV-ZETCQYMHSA-N	-2	0	330.322	-0.337	20	0		EBADRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1	ZINC000834291429	584030961	/nfs/dbraw/zinc/03/09/61/584030961.db2.gz	YUWMUESCUWBDIL-ZJUUUORDSA-N	-2	0	336.348	-0.471	20	0		EBADRL
CCS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849230287	584167201	/nfs/dbraw/zinc/16/72/01/584167201.db2.gz	AYDPWHGVSONZMF-BQBZGAKWSA-N	-2	0	332.300	-0.068	20	0		EBADRL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nc[nH]n1	ZINC000851704101	584200732	/nfs/dbraw/zinc/20/07/32/584200732.db2.gz	SIMPXUJCXYBNKF-PHDIDXHHSA-N	-2	0	335.242	-0.459	20	0		EBADRL
Cn1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1	ZINC000851704075	584200833	/nfs/dbraw/zinc/20/08/33/584200833.db2.gz	SARDXDGBDKLBFX-XPUUQOCRSA-N	-2	0	349.269	-0.449	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)s1	ZINC000863954781	584380769	/nfs/dbraw/zinc/38/07/69/584380769.db2.gz	MTHOBJNOOCMUNC-MRVPVSSYSA-N	-2	0	332.359	-0.237	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)cn1	ZINC000863960086	584381535	/nfs/dbraw/zinc/38/15/35/584381535.db2.gz	VXMWYGAWZYVLCM-UHFFFAOYSA-N	-2	0	337.317	-0.564	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)CCC1	ZINC000863962008	584381707	/nfs/dbraw/zinc/38/17/07/584381707.db2.gz	DDQDACYKZLENNF-UHFFFAOYSA-N	-2	0	329.334	-0.275	20	0		EBADRL
Cc1nn(C)c2ncc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc12	ZINC000863962716	584381884	/nfs/dbraw/zinc/38/18/84/584381884.db2.gz	VBEQFDAVGOUNTD-UHFFFAOYSA-N	-2	0	326.334	-0.054	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C	ZINC000863965021	584382161	/nfs/dbraw/zinc/38/21/61/584382161.db2.gz	QZZYGHPVRHRVOF-VIFPVBQESA-N	-2	0	325.383	-0.159	20	0		EBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1	ZINC000314417410	599736885	/nfs/dbraw/zinc/73/68/85/599736885.db2.gz	CUCOVDKTNWUFOD-UHFFFAOYSA-N	-2	0	328.306	-0.279	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)CCn1cnc2ccccc2c1=O	ZINC000739842321	600179661	/nfs/dbraw/zinc/17/96/61/600179661.db2.gz	GPDGDQDESPEMDQ-UHFFFAOYSA-N	-2	0	339.329	-0.683	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@@]12CCC(=O)N1CCS2	ZINC000739695076	600464712	/nfs/dbraw/zinc/46/47/12/600464712.db2.gz	BPBOOCAYMYEPKM-NSHDSACASA-N	-2	0	336.391	-0.637	20	0		EBADRL
CC(C)N(CCCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000738850069	602513372	/nfs/dbraw/zinc/51/33/72/602513372.db2.gz	QSCFNIOPVCRHQF-UHFFFAOYSA-N	-2	0	336.352	-0.034	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)[O-])cc1C(N)=O	ZINC000740148305	602687054	/nfs/dbraw/zinc/68/70/54/602687054.db2.gz	RUMCYGIIMIXXTR-SSDOTTSWSA-N	-2	0	329.334	-0.445	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)[O-])C2)s1	ZINC000740335416	602964570	/nfs/dbraw/zinc/96/45/70/602964570.db2.gz	AJUIBVIDDNPPGL-ZCFIWIBFSA-N	-2	0	347.374	-0.348	20	0		EBADRL
O=C([O-])NCc1nc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cs1	ZINC000740682541	602999473	/nfs/dbraw/zinc/99/94/73/602999473.db2.gz	LUBKUVVWMWTBSD-LURJTMIESA-N	-2	0	335.363	-0.241	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000740009186	602999483	/nfs/dbraw/zinc/99/94/83/602999483.db2.gz	SRTCYHDTJANJRH-SFYZADRCSA-N	-2	0	326.396	-0.389	20	0		EBADRL
CC(C)(C)CS(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738698664	603145964	/nfs/dbraw/zinc/14/59/64/603145964.db2.gz	RZUAMLZBZMXXPW-UHFFFAOYSA-N	-2	0	335.382	-0.699	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000740244983	603148892	/nfs/dbraw/zinc/14/88/92/603148892.db2.gz	DRBRTJHPYVKXAB-QMMMGPOBSA-N	-2	0	348.406	-0.105	20	0		EBADRL
C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000916107728	650272701	/nfs/dbraw/zinc/27/27/01/650272701.db2.gz	CVQKMYMOGGQTFL-SSDOTTSWSA-N	-2	0	330.318	-0.748	20	0		EBADRL
Cc1n[nH]c(C(=O)NC[C@H]2CCN2C(=O)c2n[nH]c(C)c2[O-])c1[O-]	ZINC000949425430	653891017	/nfs/dbraw/zinc/89/10/17/653891017.db2.gz	IVXBMUYOLFYTEX-MRVPVSSYSA-N	-2	0	334.336	-0.195	20	0		EBADRL
Cc1n[nH]c(C(=O)NCC2=CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1[O-]	ZINC001000586635	726572071	/nfs/dbraw/zinc/57/20/71/726572071.db2.gz	DIFFOUIOTRLGBR-UHFFFAOYSA-N	-2	0	333.352	-0.190	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(-n2cncn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001223383767	811701708	/nfs/dbraw/zinc/70/17/08/811701708.db2.gz	FKJADLUVNKSMBN-DGCLKSJQSA-N	-2	0	349.299	-0.153	20	0		EBADRL
COC(=O)c1cncc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001223493467	811709928	/nfs/dbraw/zinc/70/99/28/811709928.db2.gz	YPFZJSREMNJKLT-SECBINFHSA-N	-2	0	335.205	-0.618	20	0		EBADRL
COC(=O)c1coc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001224254824	811751640	/nfs/dbraw/zinc/75/16/40/811751640.db2.gz	USDQTFXBTYIZOM-SSDLBLMSSA-N	-2	0	331.233	-0.959	20	0		EBADRL
CC(C)(C)OC(=O)NCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224337942	811757851	/nfs/dbraw/zinc/75/78/51/811757851.db2.gz	QMJZRTPRYJLKFU-IONNQARKSA-N	-2	0	335.309	-0.409	20	0		EBADRL
CC(C)(C)OC(=O)/C=C/COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224998522	811788021	/nfs/dbraw/zinc/78/80/21/811788021.db2.gz	QYTIEYBNKLSATL-UGZBIMKRSA-N	-2	0	332.305	-0.036	20	0		EBADRL
CC(=O)N1CCC[C@H](COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C1	ZINC001225172299	811796817	/nfs/dbraw/zinc/79/68/17/811796817.db2.gz	IRICRHHFNWVKTN-UMNHJUIQSA-N	-2	0	331.321	-0.676	20	0		EBADRL
CNC(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001225420208	811809711	/nfs/dbraw/zinc/80/97/11/811809711.db2.gz	VJBFPGSUPNAJCY-MWLCHTKSSA-N	-2	0	325.273	-0.512	20	0		EBADRL
NC(=O)c1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225520539	811815646	/nfs/dbraw/zinc/81/56/46/811815646.db2.gz	LPDBSWQHVNRHPM-GMSGAONNSA-N	-2	0	345.691	-0.119	20	0		EBADRL
O=C(Oc1[nH]c(=O)ncc1C(F)(F)F)[C@H](O)COP(=O)([O-])[O-]	ZINC001225576362	811818795	/nfs/dbraw/zinc/81/87/95/811818795.db2.gz	HHHQLDKRTOACTG-SCSAIBSYSA-N	-2	0	348.126	-0.423	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)OCCO2)[C@H](O)C(=O)[O-]	ZINC001226034058	811844480	/nfs/dbraw/zinc/84/44/80/811844480.db2.gz	SITPCGPXBAGZBW-PELKAZGASA-N	-2	0	326.257	-0.100	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncn(-c2ccccc2)n1)[C@H](O)C(=O)[O-]	ZINC001226196281	811850762	/nfs/dbraw/zinc/85/07/62/811850762.db2.gz	LTHRHNGFNAEMFR-KOLCDFICSA-N	-2	0	335.272	-0.291	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2c1CCC2)[C@H](O)C(=O)[O-]	ZINC001226299966	811860161	/nfs/dbraw/zinc/86/01/61/811860161.db2.gz	JXMRTMSGNKTQPE-RCOVLWMOSA-N	-2	0	342.329	-0.304	20	0		EBADRL
CCOC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n(C)n1	ZINC001226562230	811870225	/nfs/dbraw/zinc/87/02/25/811870225.db2.gz	YLWTVDUKIHHSGH-LHLIQPBNSA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(Br)ncn1)[C@@H](O)C(=O)[O-]	ZINC001227036543	811898830	/nfs/dbraw/zinc/89/88/30/811898830.db2.gz	ICEMQOJWVBEASU-RNHFCUEFSA-N	-2	0	349.093	-0.319	20	0		EBADRL
C[C@@H]1OCc2c1nc(=O)[n-]c2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227715757	811940530	/nfs/dbraw/zinc/94/05/30/811940530.db2.gz	GBENNCNNHNFTIT-DQSPEZDDSA-N	-3	0	342.260	-0.785	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CCNC2=O)[C@@H](O)C(=O)[O-]	ZINC001227917345	811949117	/nfs/dbraw/zinc/94/91/17/811949117.db2.gz	BAJKOZJOVXHGED-ZYHUDNBSSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C(Oc1ccc2c(c1)C(=O)NCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001227958672	811952350	/nfs/dbraw/zinc/95/23/50/811952350.db2.gz	OOVQKQVFLOSCEK-SNVBAGLBSA-N	-2	0	331.217	-0.652	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)C(=O)NCC2)[C@H](O)C(=O)[O-]	ZINC001227958779	811952481	/nfs/dbraw/zinc/95/24/81/811952481.db2.gz	ROJAOUNKVUNVQW-JQWIXIFHSA-N	-2	0	337.284	-0.586	20	0		EBADRL
CCOc1ncc(F)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001228366292	811976038	/nfs/dbraw/zinc/97/60/38/811976038.db2.gz	UWEWOMNCXQUNDB-ZCFIWIBFSA-N	-2	0	326.173	-0.610	20	0		EBADRL
O=C(Oc1cc2oc(=O)ccc2cc1O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228477144	811982362	/nfs/dbraw/zinc/98/23/62/811982362.db2.gz	HZZMHIWEOBIIHQ-MRVPVSSYSA-N	-2	0	346.184	-0.126	20	0		EBADRL
CCCc1cnc(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228872704	812000765	/nfs/dbraw/zinc/00/07/65/812000765.db2.gz	BTXYAWWPFXQDIN-APPZFPTMSA-N	-2	0	328.277	-0.424	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc2c(cc1O)CCC2=O)[C@H](O)C(=O)[O-]	ZINC001228855765	812001085	/nfs/dbraw/zinc/00/10/85/812001085.db2.gz	QGNJPQBFWAYABC-OQPBUACISA-N	-2	0	338.268	-0.037	20	0		EBADRL
COC(=O)c1nc(C)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228928972	812006684	/nfs/dbraw/zinc/00/66/84/812006684.db2.gz	DLKSCSZSQSRZPF-CPCISQLKSA-N	-2	0	341.272	-0.382	20	0		EBADRL
COC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1F	ZINC001229020661	812009952	/nfs/dbraw/zinc/00/99/52/812009952.db2.gz	OHHUAOANPCNMPD-SECBINFHSA-N	-2	0	338.180	-0.012	20	0		EBADRL
CSc1cc(C)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001229076449	812011143	/nfs/dbraw/zinc/01/11/43/812011143.db2.gz	UNVWHRIQVDIVNZ-IMTBSYHQSA-N	-2	0	330.318	-0.051	20	0		EBADRL
CC(=O)c1c(=O)oc(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229186598	812015961	/nfs/dbraw/zinc/01/59/61/812015961.db2.gz	LDZCFCLREDWPHD-CPCISQLKSA-N	-2	0	342.256	-0.407	20	0		EBADRL
COc1ccc(C(N)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001231291322	812289082	/nfs/dbraw/zinc/28/90/82/812289082.db2.gz	VNTFRNMKBDQPLZ-GZMMTYOYSA-N	-2	0	341.272	-0.764	20	0		EBADRL
COc1ccc2c(c1)[nH]nc2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233611810	812323142	/nfs/dbraw/zinc/32/31/42/812323142.db2.gz	KYKNLHMWPFXTMN-SECBINFHSA-N	-2	0	332.205	-0.053	20	0		EBADRL
COC(=O)c1c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccn1C	ZINC001233787269	812344716	/nfs/dbraw/zinc/34/47/16/812344716.db2.gz	GQVKBRPOFQIRKJ-WKEGUHRASA-N	-2	0	329.261	-0.747	20	0		EBADRL
O=C([O-])C[C@H](C(=O)N1Cc2ccccc2S1(=O)=O)[C@@H](O)C(=O)[O-]	ZINC001250383749	812610404	/nfs/dbraw/zinc/61/04/04/812610404.db2.gz	XHTPATNEAQDSQJ-GZMMTYOYSA-N	-2	0	343.313	-0.746	20	0		EBADRL
COC(=O)c1ccccc1S(=O)(=O)NCCOP(=O)([O-])[O-]	ZINC001254072941	812694070	/nfs/dbraw/zinc/69/40/70/812694070.db2.gz	VVVFXQUNGDQNTB-UHFFFAOYSA-N	-2	0	339.262	-0.139	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccc(N2C(=O)C=CC2=O)cc1	ZINC001148898245	830551742	/nfs/dbraw/zinc/55/17/42/830551742.db2.gz	NTQAJLWKOQWKBU-UHFFFAOYSA-N	-2	0	340.228	-0.045	20	0		EBADRL
COC(=O)C(C(=O)OC)c1cncc(NCCOP(=O)([O-])[O-])n1	ZINC001168589676	832427801	/nfs/dbraw/zinc/42/78/01/832427801.db2.gz	LVTRSNGWVWTQBH-UHFFFAOYSA-N	-2	0	349.236	-0.573	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@H]1CC(=O)N(c2nccs2)C1	ZINC001177336295	832775148	/nfs/dbraw/zinc/77/51/48/832775148.db2.gz	YQJCLLKJZQZREL-ZETCQYMHSA-N	-2	0	335.278	-0.279	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC[C@@H]2CNC(=O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189934355	834210889	/nfs/dbraw/zinc/21/08/89/834210889.db2.gz	SVCIJEUNBHBPLU-ZETCQYMHSA-N	-2	0	342.329	-0.503	20	0		EBADRL
CCOc1ccc(S(=O)(=O)NCS(=O)(=O)[O-])cc1C(=O)[O-]	ZINC001192660494	834711885	/nfs/dbraw/zinc/71/18/85/834711885.db2.gz	QTJYYKWCKYUAGM-UHFFFAOYSA-N	-2	0	339.347	-0.093	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2cc(=O)[nH][n-]2)cc1	ZINC001193472940	834882847	/nfs/dbraw/zinc/88/28/47/834882847.db2.gz	IXTVQBDJADRWPG-UHFFFAOYSA-N	-2	0	338.345	-0.014	20	0		EBADRL
O=C(OC[C@@H]1COc2ccccc2O1)[C@H](O)COP(=O)([O-])[O-]	ZINC001206346081	836640995	/nfs/dbraw/zinc/64/09/95/836640995.db2.gz	KKPZYTMUWSRJTI-DTWKUNHWSA-N	-2	0	334.217	-0.160	20	0		EBADRL
O=C(OCCOC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1	ZINC001206529088	836654526	/nfs/dbraw/zinc/65/45/26/836654526.db2.gz	OBMPJEOYCTVCOW-SNVBAGLBSA-N	-2	0	334.217	-0.143	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCCOC(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001206529953	836654706	/nfs/dbraw/zinc/65/47/06/836654706.db2.gz	WIKJSPDCVCYJKM-ZYHUDNBSSA-N	-2	0	340.284	-0.077	20	0		EBADRL
CC(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001573496907	946332773	/nfs/dbraw/zinc/33/27/73/946332773.db2.gz	GVUXNCVTKWGYLO-SECBINFHSA-N	-2	0	343.351	-0.675	20	0		EBADRL
O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001595286233	950033384	/nfs/dbraw/zinc/03/33/84/950033384.db2.gz	VSHBVQNGIZVXBB-ZWNOBZJWSA-N	-2	0	344.327	-0.595	20	0		EBADRL
CCn1cc(CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001593665625	953839575	/nfs/dbraw/zinc/83/95/75/953839575.db2.gz	RTUVEFPJWUIIAA-UHFFFAOYSA-N	-2	0	328.306	-0.363	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)o1	ZINC001593707665	954154247	/nfs/dbraw/zinc/15/42/47/954154247.db2.gz	ZFZVMKVEQJAQCI-UHFFFAOYSA-N	-2	0	343.321	-0.542	20	0		EBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001594895719	954562566	/nfs/dbraw/zinc/56/25/66/954562566.db2.gz	HFPXSLQNIQJRLH-FSPLSTOPSA-N	-3	0	337.258	-0.394	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])cn1	ZINC001593855504	955494474	/nfs/dbraw/zinc/49/44/74/955494474.db2.gz	KTLUWGLKYZYXHE-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
CO[C@@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC001593926143	956128846	/nfs/dbraw/zinc/12/88/46/956128846.db2.gz	DIWNSPXAOIPGJL-CYBMUJFWSA-N	-2	0	330.362	-0.031	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)O[C@H]1CCN(CC(=O)[O-])C1=O	ZINC001588786268	961344710	/nfs/dbraw/zinc/34/47/10/961344710.db2.gz	ODJJSLQISAYODX-LURJTMIESA-N	-2	0	340.254	-0.328	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC(C(=O)[O-])C2)c1	ZINC001571179149	962131832	/nfs/dbraw/zinc/13/18/32/962131832.db2.gz	HHHYUAFYZOOBEW-UHFFFAOYSA-N	-2	0	328.346	-0.201	20	0		EBADRL
COC(=O)C1CC2(C1)CN(C(=O)c1cc(=O)n(C)[n-]1)C[C@H]2C(=O)[O-]	ZINC001604293110	972918163	/nfs/dbraw/zinc/91/81/63/972918163.db2.gz	UAYGMRQVACNEQE-WWNCPBBQSA-N	-2	0	337.332	-0.148	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n[nH]1	ZINC001604375819	973092139	/nfs/dbraw/zinc/09/21/39/973092139.db2.gz	AJQBWUGXPNFEHG-SFYZADRCSA-N	-2	0	331.350	-0.072	20	0		EBADRL
O=C([O-])Cn1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1=O	ZINC001606350837	973795742	/nfs/dbraw/zinc/79/57/42/973795742.db2.gz	XPJVJIFZBZOLFW-VIFPVBQESA-N	-2	0	332.320	-0.534	20	0		EBADRL
C[C@H](CS(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1)C(=O)[O-]	ZINC001592798240	979445575	/nfs/dbraw/zinc/44/55/75/979445575.db2.gz	MWSSDHPSPCMVJI-UTLUCORTSA-N	-2	0	348.377	-0.956	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC001595371333	980850312	/nfs/dbraw/zinc/85/03/12/980850312.db2.gz	ADGKKSIGXVZXIX-NSHDSACASA-N	-2	0	331.306	-0.108	20	0		EBADRL
CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-]	ZINC001595635938	981910105	/nfs/dbraw/zinc/91/01/05/981910105.db2.gz	QKMVEUJYMVTGIY-BDAKNGLRSA-N	-2	0	337.398	-0.217	20	0		EBADRL
CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001596535906	984372638	/nfs/dbraw/zinc/37/26/38/984372638.db2.gz	XLOVQTCQZZYVDO-JTQLQIEISA-N	-2	0	337.394	-0.135	20	0		EBADRL
C[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC001599895507	984748194	/nfs/dbraw/zinc/74/81/94/984748194.db2.gz	VDHAWJHPBPLZMP-WDSKDSINSA-N	-2	0	341.286	-0.463	20	0		EBADRL
CCOC(=O)c1cnc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)[n-]1	ZINC001596740115	985043062	/nfs/dbraw/zinc/04/30/62/985043062.db2.gz	SNWCDSONTLYMSI-MRVPVSSYSA-N	-2	0	338.320	-0.152	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)CC1	ZINC001589066889	985205366	/nfs/dbraw/zinc/20/53/66/985205366.db2.gz	WZYYUXRKFOMIIL-UHFFFAOYSA-N	-2	0	343.361	-0.217	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1	ZINC001596969339	986192492	/nfs/dbraw/zinc/19/24/92/986192492.db2.gz	YZZUEPJPAMSLJX-JTQLQIEISA-N	-2	0	343.380	-0.480	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC001589453654	986865315	/nfs/dbraw/zinc/86/53/15/986865315.db2.gz	HOXCRTXNKRDTQX-NKWVEPMBSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2	ZINC001589455262	986894333	/nfs/dbraw/zinc/89/43/33/986894333.db2.gz	XDXULMUHZHQARI-JGVFFNPUSA-N	-2	0	331.350	-0.418	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=O)n2C	ZINC001589492825	987066168	/nfs/dbraw/zinc/06/61/68/987066168.db2.gz	ZCMFDDSIIWKZFR-ZCFIWIBFSA-N	-2	0	327.318	-0.188	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)C1CCCCC1	ZINC001589493003	987067292	/nfs/dbraw/zinc/06/72/92/987067292.db2.gz	BAZSXIYGEQHHIL-VIFPVBQESA-N	-2	0	334.394	-0.008	20	0		EBADRL
CSCC[C@H](NS(=O)(=O)c1cnn(CC(=O)[O-])c1)C(=O)[O-]	ZINC001599796534	988106553	/nfs/dbraw/zinc/10/65/53/988106553.db2.gz	POYWSNOOXZUSMR-QMMMGPOBSA-N	-2	0	337.379	-0.548	20	0		EBADRL
CCc1ncncc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001597709066	988957840	/nfs/dbraw/zinc/95/78/40/988957840.db2.gz	HIJXFNYPUVNVRY-UHFFFAOYSA-N	-2	0	342.377	-0.190	20	0		EBADRL
CC(C)(C)OCCS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])cn1	ZINC001590389471	989915825	/nfs/dbraw/zinc/91/58/25/989915825.db2.gz	XITZCFKKADBCKR-UHFFFAOYSA-N	-2	0	333.366	-0.158	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1=O	ZINC001591497811	992635228	/nfs/dbraw/zinc/63/52/28/992635228.db2.gz	JJGHPWMUQDOMSG-UHFFFAOYSA-N	-2	0	325.365	-0.187	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])n1	ZINC001598659662	994575615	/nfs/dbraw/zinc/57/56/15/994575615.db2.gz	YIPJVWKAZANFQQ-HTQZYQBOSA-N	-2	0	343.361	-0.390	20	0		EBADRL
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)C12CC(C(=O)[O-])(C1)C2	ZINC001598687267	995015284	/nfs/dbraw/zinc/01/52/84/995015284.db2.gz	GWOQMVOEENTVBG-RSRXSIIXSA-N	-2	0	333.362	-0.115	20	0		EBADRL
COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CCOC1	ZINC001598726042	995519189	/nfs/dbraw/zinc/51/91/89/995519189.db2.gz	VQEQUXWVJBIEAE-KWBADKCTSA-N	-2	0	335.378	-0.119	20	0		EBADRL
COC(=O)[C@H]1CC[C@H](C(=O)[O-])N(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001598776742	995937355	/nfs/dbraw/zinc/93/73/55/995937355.db2.gz	JMUDGHXHNBILAN-WCBMZHEXSA-N	-2	0	348.315	-0.499	20	0		EBADRL
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001598776740	995937617	/nfs/dbraw/zinc/93/76/17/995937617.db2.gz	JMUDGHXHNBILAN-SCZZXKLOSA-N	-2	0	348.315	-0.499	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cn1	ZINC001598874920	996756750	/nfs/dbraw/zinc/75/67/50/996756750.db2.gz	HTGOXSBZYVYNCC-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
COC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])O1	ZINC001598897705	997113093	/nfs/dbraw/zinc/11/30/93/997113093.db2.gz	KZSGZTAYNJZMTN-SFYZADRCSA-N	-2	0	337.350	-0.736	20	0		EBADRL
COCc1nccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC001599305575	997307211	/nfs/dbraw/zinc/30/72/11/997307211.db2.gz	WNBXSJGVVLQRKJ-UHFFFAOYSA-N	-2	0	327.322	-0.295	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c[nH]1	ZINC001598920059	997547467	/nfs/dbraw/zinc/54/74/67/997547467.db2.gz	QWBXISCQFMCDHZ-BQBZGAKWSA-N	-2	0	332.334	-0.030	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1	ZINC001599320724	997576756	/nfs/dbraw/zinc/57/67/56/997576756.db2.gz	OXRJHARLQWNZQK-RQJHMYQMSA-N	-2	0	327.259	-0.041	20	0		EBADRL
COc1ccc(-n2cc([O-])c(C(=O)N3CC(O)(C(=O)[O-])C3)n2)cc1	ZINC001599473340	998486275	/nfs/dbraw/zinc/48/62/75/998486275.db2.gz	CPCKSUQZXKOOMM-UHFFFAOYSA-N	-2	0	333.300	-0.142	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1cncc(C(=O)[O-])c1)OC	ZINC001599164890	998524132	/nfs/dbraw/zinc/52/41/32/998524132.db2.gz	BDBYUCDAWDZZFG-JTQLQIEISA-N	-2	0	332.334	-0.499	20	0		EBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C(N)=O	ZINC001260392603	1130544806	/nfs/dbraw/zinc/54/48/06/1130544806.db2.gz	ILCKATAOIOPUIK-UHFFFAOYSA-N	-2	0	340.317	-0.276	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1)C(=O)[O-]	ZINC000364388954	304074259	/nfs/dbraw/zinc/07/42/59/304074259.db2.gz	MENRIXDGNQUDEW-SNVBAGLBSA-N	-2	0	348.377	-0.765	20	0		EBADRL
O=C([O-])[C@@H]1CCN1S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000290973091	304123599	/nfs/dbraw/zinc/12/35/99/304123599.db2.gz	OZHNJLNNRHFDQY-ZETCQYMHSA-N	-2	0	326.290	-0.716	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275082418	379736852	/nfs/dbraw/zinc/73/68/52/379736852.db2.gz	IXKWHGWBLHSRFU-VGMNWLOBSA-N	-2	0	337.350	-0.767	20	0		EBADRL
CCn1nccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275202528	379743146	/nfs/dbraw/zinc/74/31/46/379743146.db2.gz	YZTJHHMPLMJEQT-RKDXNWHRSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000278635188	379928495	/nfs/dbraw/zinc/92/84/95/379928495.db2.gz	IKMVMJIHDMGUOC-MRVPVSSYSA-N	-2	0	348.333	-0.212	20	0		EBADRL
COc1cncc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000541909614	380038315	/nfs/dbraw/zinc/03/83/15/380038315.db2.gz	SUZOWXKDKFMZNC-LBPRGKRZSA-N	-2	0	332.334	-0.066	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC000547547771	380143487	/nfs/dbraw/zinc/14/34/87/380143487.db2.gz	UZWMUPXBKAURRI-ZETCQYMHSA-N	-2	0	330.274	-0.260	20	0		EBADRL
COCCOCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000547596903	380149071	/nfs/dbraw/zinc/14/90/71/380149071.db2.gz	WTSWWNFLNXFYJZ-NXEZZACHSA-N	-2	0	339.366	-0.914	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547933330	380173089	/nfs/dbraw/zinc/17/30/89/380173089.db2.gz	UNFOTODOTFNBRM-NSHDSACASA-N	-2	0	325.339	-0.575	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000548580250	380217717	/nfs/dbraw/zinc/21/77/17/380217717.db2.gz	NULHLBUNZDLYAP-RKDXNWHRSA-N	-2	0	343.361	-0.232	20	0		EBADRL
C[C@](CNS(=O)(=O)N1CCOC(C)(C)C1)(CC(=O)[O-])C(=O)[O-]	ZINC000548593946	380217905	/nfs/dbraw/zinc/21/79/05/380217905.db2.gz	RTXOJSYWYDVSIE-GFCCVEGCSA-N	-2	0	338.382	-0.503	20	0		EBADRL
CCOC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC000290909064	286140227	/nfs/dbraw/zinc/14/02/27/286140227.db2.gz	GBFACCULNGIRQM-ZCFIWIBFSA-N	-2	0	338.363	-0.302	20	0		EBADRL
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000264536010	154284391	/nfs/dbraw/zinc/28/43/91/154284391.db2.gz	ZKJRDKGNCAJZHW-LDWIPMOCSA-N	-2	0	342.329	-0.052	20	0		EBADRL
COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274914677	154628443	/nfs/dbraw/zinc/62/84/43/154628443.db2.gz	LKKBMPCTLOSHKQ-SNVBAGLBSA-N	-2	0	345.329	-0.180	20	0		EBADRL
O=C(N=c1ccc(O)n[n-]1)[C@@H]1CC[C@H](C(=O)N=c2ccc(O)n[n-]2)C1	ZINC000415468892	419417287	/nfs/dbraw/zinc/41/72/87/419417287.db2.gz	ZIOHIEOMMVNPGN-DTORHVGOSA-N	-2	0	344.331	-0.485	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1n[nH]c(=O)[n-]1	ZINC000443519724	265353915	/nfs/dbraw/zinc/35/39/15/265353915.db2.gz	WUTICUJGAPLWKS-UHFFFAOYSA-N	-2	0	329.313	-0.049	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000737362422	583005657	/nfs/dbraw/zinc/00/56/57/583005657.db2.gz	XCXPFNFMZYPKOV-WDEREUQCSA-N	-2	0	340.357	-0.086	20	0		EBADRL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000738178001	583044367	/nfs/dbraw/zinc/04/43/67/583044367.db2.gz	VQJCWEAMTOFFEK-VHSXEESVSA-N	-2	0	347.370	-0.384	20	0		EBADRL
NC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000748674568	583122362	/nfs/dbraw/zinc/12/23/62/583122362.db2.gz	SXZLNXKWVCELQS-ZETCQYMHSA-N	-2	0	334.281	-0.869	20	0		EBADRL
Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc(C(=O)[O-])c1C	ZINC000760336239	583227847	/nfs/dbraw/zinc/22/78/47/583227847.db2.gz	ZLUZNGBDEAAANN-UHFFFAOYSA-N	-2	0	344.345	-0.519	20	0		EBADRL
COc1ccc(-n2nnc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)c2C)cc1	ZINC000816730517	583720205	/nfs/dbraw/zinc/72/02/05/583720205.db2.gz	BXMJLSJGDOQFPQ-UHFFFAOYSA-N	-2	0	331.292	-0.029	20	0		EBADRL
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)o1	ZINC000816733026	583720682	/nfs/dbraw/zinc/72/06/82/583720682.db2.gz	GMBIFSMEVPNLJZ-UHFFFAOYSA-N	-2	0	345.337	-0.257	20	0		EBADRL
CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000821608326	583795298	/nfs/dbraw/zinc/79/52/98/583795298.db2.gz	BXESUOIIWJFDOR-UHFFFAOYSA-N	-2	0	341.331	-0.062	20	0		EBADRL
CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550605	583832710	/nfs/dbraw/zinc/83/27/10/583832710.db2.gz	VCGTVNZIWNUXTE-ZWNOBZJWSA-N	-2	0	347.393	-0.557	20	0		EBADRL
CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550604	583832874	/nfs/dbraw/zinc/83/28/74/583832874.db2.gz	VCGTVNZIWNUXTE-MFKMUULPSA-N	-2	0	347.393	-0.557	20	0		EBADRL
CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000824366982	583844417	/nfs/dbraw/zinc/84/44/17/583844417.db2.gz	BRPKJAUYQGAMCY-JTQLQIEISA-N	-2	0	349.409	-0.120	20	0		EBADRL
CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000827403950	583920890	/nfs/dbraw/zinc/92/08/90/583920890.db2.gz	BMGFCSYQZHZQAP-ZJUUUORDSA-N	-2	0	338.382	-0.374	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828963921	583949225	/nfs/dbraw/zinc/94/92/25/583949225.db2.gz	HGZBRECBIBEIGU-ZJUUUORDSA-N	-2	0	337.398	-0.248	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000829002758	583949935	/nfs/dbraw/zinc/94/99/35/583949935.db2.gz	XUWFEHVSXYOHNA-ZJUUUORDSA-N	-2	0	338.382	-0.468	20	0		EBADRL
COc1ccccc1S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-]	ZINC000829649081	583955241	/nfs/dbraw/zinc/95/52/41/583955241.db2.gz	DBQQNULIIVHQCB-UHFFFAOYSA-N	-2	0	332.334	-0.216	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)C[C@H]2CSCCN2C(=O)[O-])n[n-]1	ZINC000829699850	583957355	/nfs/dbraw/zinc/95/73/55/583957355.db2.gz	NXBWWAIZSJGBJS-LURJTMIESA-N	-2	0	349.394	-0.368	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)C2(CNC(=O)[O-])CCCC2)n[n-]1	ZINC000829700387	583957459	/nfs/dbraw/zinc/95/74/59/583957459.db2.gz	QMNAKRNGYGKUAP-UHFFFAOYSA-N	-2	0	331.354	-0.025	20	0		EBADRL
Cc1cc(OCC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)no1	ZINC000830129368	583964072	/nfs/dbraw/zinc/96/40/72/583964072.db2.gz	QAJHJXCOKGEVSZ-QMMMGPOBSA-N	-2	0	333.322	-0.440	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C[C@H]1CN(C(=O)[O-])CCO1	ZINC000830913388	583971966	/nfs/dbraw/zinc/97/19/66/583971966.db2.gz	DXWHZHFXOFKCQG-VIFPVBQESA-N	-2	0	347.349	-0.135	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CN(C(=O)[O-])CCO1	ZINC000830914191	583972264	/nfs/dbraw/zinc/97/22/64/583972264.db2.gz	NRRNEJFEAKNCOL-MRVPVSSYSA-N	-2	0	333.322	-0.525	20	0		EBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000831192797	583978939	/nfs/dbraw/zinc/97/89/39/583978939.db2.gz	VGAYYMSVYRUFFP-UHFFFAOYSA-N	-2	0	329.294	-0.722	20	0		EBADRL
O=C([O-])N1CC[C@@H](N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C2CC2)C1	ZINC000831921705	583993571	/nfs/dbraw/zinc/99/35/71/583993571.db2.gz	IQEIKYKAXVPGTD-SNVBAGLBSA-N	-2	0	346.347	-0.186	20	0		EBADRL
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000832956268	584002654	/nfs/dbraw/zinc/00/26/54/584002654.db2.gz	UIZCRWDSEFBHTB-UHFFFAOYSA-N	-2	0	330.318	-0.828	20	0		EBADRL
Cn1ncc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cnc21	ZINC000833060874	584003993	/nfs/dbraw/zinc/00/39/93/584003993.db2.gz	HZQFYUKKSBRUMT-UHFFFAOYSA-N	-2	0	326.334	-0.107	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)cn1	ZINC000833274213	584008224	/nfs/dbraw/zinc/00/82/24/584008224.db2.gz	TVTRCPZOWSEKKA-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)cc1	ZINC000833355026	584009005	/nfs/dbraw/zinc/00/90/05/584009005.db2.gz	GXGKPRHCDSMGOI-NSHDSACASA-N	-2	0	340.357	-0.143	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])cc1	ZINC000833700807	584014130	/nfs/dbraw/zinc/01/41/30/584014130.db2.gz	SHTBBQMNNSMEKW-QMMMGPOBSA-N	-2	0	328.346	-0.038	20	0		EBADRL
O=C([O-])Nc1cnc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1	ZINC000834276881	584030176	/nfs/dbraw/zinc/03/01/76/584030176.db2.gz	BBYBTSJBOXQRNO-ZETCQYMHSA-N	-2	0	330.322	-0.195	20	0		EBADRL
CNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849231834	584167098	/nfs/dbraw/zinc/16/70/98/584167098.db2.gz	HYKNZCNARWJYBE-PHDIDXHHSA-N	-2	0	333.288	-0.953	20	0		EBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cncn1	ZINC000852956046	584222128	/nfs/dbraw/zinc/22/21/28/584222128.db2.gz	FOPVYQQCHCQACM-CBAPKCEASA-N	-2	0	349.269	-0.599	20	0		EBADRL
Cn1[n-]nnc1=NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]1	ZINC000853975340	584233516	/nfs/dbraw/zinc/23/35/16/584233516.db2.gz	MKHNEHKTDLHDQT-UHFFFAOYSA-N	-2	0	336.356	-0.236	20	0		EBADRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1C	ZINC000013078865	584311944	/nfs/dbraw/zinc/31/19/44/584311944.db2.gz	LJTFBKOKQVZGKO-UHFFFAOYSA-N	-2	0	344.345	-0.519	20	0		EBADRL
CC(=O)Nc1nnc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])s1	ZINC000863958009	584381248	/nfs/dbraw/zinc/38/12/48/584381248.db2.gz	XBIXLRIHAVHSRD-UHFFFAOYSA-N	-2	0	336.351	-0.588	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1	ZINC000863958475	584381304	/nfs/dbraw/zinc/38/13/04/584381304.db2.gz	ZMWDBQQJLQXNCY-NSHDSACASA-N	-2	0	340.357	-0.038	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863957662	584381310	/nfs/dbraw/zinc/38/13/10/584381310.db2.gz	RWOCOVOJFDQUKT-UHFFFAOYSA-N	-2	0	345.329	-0.227	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c(C)nn1C	ZINC000863959410	584381526	/nfs/dbraw/zinc/38/15/26/584381526.db2.gz	DBTYFNLHNSSOGS-QMMMGPOBSA-N	-2	0	331.350	-0.347	20	0		EBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1C(N)=O	ZINC000863962526	584381692	/nfs/dbraw/zinc/38/16/92/584381692.db2.gz	NSRNQVFKUWNLPM-UHFFFAOYSA-N	-2	0	328.346	-0.158	20	0		EBADRL
COc1ccc(C(N)=O)cc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	ZINC000863961453	584381715	/nfs/dbraw/zinc/38/17/15/584381715.db2.gz	LVOAVKBJHDGIMB-UHFFFAOYSA-N	-2	0	344.345	-0.290	20	0		EBADRL
CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000863965050	584382136	/nfs/dbraw/zinc/38/21/36/584382136.db2.gz	DATNHKJJIZSKMS-NSHDSACASA-N	-2	0	331.306	-0.921	20	0		EBADRL
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC(=O)[O-])cc2)[n-]1	ZINC000739768558	597024887	/nfs/dbraw/zinc/02/48/87/597024887.db2.gz	QOYBSKPPQFNPHL-UHFFFAOYSA-N	-2	0	333.300	-0.305	20	0		EBADRL
O=C([O-])Cn1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1	ZINC000739920387	599739064	/nfs/dbraw/zinc/73/90/64/599739064.db2.gz	NERPQMGNFICVMF-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)c1	ZINC000739825589	600243465	/nfs/dbraw/zinc/24/34/65/600243465.db2.gz	KECNEHWEXRXPDF-LLVKDONJSA-N	-2	0	329.330	-0.002	20	0		EBADRL
NC(=O)COc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1	ZINC000739163420	600463325	/nfs/dbraw/zinc/46/33/25/600463325.db2.gz	RILNVVLHDUTYKV-UHFFFAOYSA-N	-2	0	344.345	-0.525	20	0		EBADRL
O=C([O-])N1CCN(c2ccc(NC(=O)c3n[nH]c(=O)[n-]3)nc2)CC1	ZINC000740461305	602128322	/nfs/dbraw/zinc/12/83/22/602128322.db2.gz	GOWFGMCTANGYLW-UHFFFAOYSA-N	-2	0	333.308	-0.042	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCCN2C(=O)[O-])s1	ZINC000739995939	602463156	/nfs/dbraw/zinc/46/31/56/602463156.db2.gz	MSFAZTDIJFYICY-YFKPBYRVSA-N	-2	0	335.367	-0.010	20	0		EBADRL
COC1(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCN(C(=O)[O-])CC1	ZINC000739798820	602501243	/nfs/dbraw/zinc/50/12/43/602501243.db2.gz	KYPWGDSCBZKQQL-VIFPVBQESA-N	-2	0	340.340	-0.741	20	0		EBADRL
O=C([O-])NCC1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000740640347	602509739	/nfs/dbraw/zinc/50/97/39/602509739.db2.gz	KFXYWTLKEIGHQY-UHFFFAOYSA-N	-2	0	334.336	-0.423	20	0		EBADRL
C[C@@H](NC(=O)[O-])C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000739009502	602516198	/nfs/dbraw/zinc/51/61/98/602516198.db2.gz	UNKPFQRPNYEZIZ-SECBINFHSA-N	-2	0	348.363	-0.034	20	0		EBADRL
Cc1c(C(=O)NCc2nnn[n-]2)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740038180	602544597	/nfs/dbraw/zinc/54/45/97/602544597.db2.gz	OYSZEAWDAYBCCB-UHFFFAOYSA-N	-2	0	335.328	-0.655	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-]	ZINC000740245251	602676120	/nfs/dbraw/zinc/67/61/20/602676120.db2.gz	GYBFUEKWJSHIQJ-UHFFFAOYSA-N	-2	0	334.354	-0.874	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000740245494	602959710	/nfs/dbraw/zinc/95/97/10/602959710.db2.gz	IKDQLWKUYMWPKV-SECBINFHSA-N	-2	0	330.366	-0.158	20	0		EBADRL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000740378235	603155073	/nfs/dbraw/zinc/15/50/73/603155073.db2.gz	OMOIMAVDATWRBL-NEPJUHHUSA-N	-2	0	338.316	-0.109	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@H]2CCN(C(=O)[O-])C2)s1	ZINC000739996146	603285371	/nfs/dbraw/zinc/28/53/71/603285371.db2.gz	OLBNXDQDUKDCPG-YFKPBYRVSA-N	-2	0	335.367	-0.152	20	0		EBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000912557490	650208975	/nfs/dbraw/zinc/20/89/75/650208975.db2.gz	BKSXJEFFOPLDSB-LURJTMIESA-N	-2	0	349.321	-0.899	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-]	ZINC000941964254	653008730	/nfs/dbraw/zinc/00/87/30/653008730.db2.gz	PZLKYQSGAHHHRW-VXNVDRBHSA-N	-2	0	335.368	-0.112	20	0		EBADRL
O=C([O-])N(CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1)C[C@H]1CCCO1	ZINC000740491530	719420462	/nfs/dbraw/zinc/42/04/62/719420462.db2.gz	LZUXLSRYFQWAMY-NXEZZACHSA-N	-2	0	340.340	-0.741	20	0		EBADRL
NC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001222959435	811673700	/nfs/dbraw/zinc/67/37/00/811673700.db2.gz	ADHHWBCCXJBHPN-GXSJLCMTSA-N	-2	0	325.273	-0.635	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001222968913	811673779	/nfs/dbraw/zinc/67/37/79/811673779.db2.gz	JOUUUHCHYYEILG-KOLCDFICSA-N	-2	0	341.272	-0.552	20	0		EBADRL
Cn1nnc2cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21	ZINC001223037734	811677606	/nfs/dbraw/zinc/67/76/06/811677606.db2.gz	OUGIJXBCTINNDS-UFBFGSQYSA-N	-2	0	337.288	-0.452	20	0		EBADRL
CC(C)(C)c1nc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])no1	ZINC001223188258	811686899	/nfs/dbraw/zinc/68/68/99/811686899.db2.gz	IHUJXGGVDCQUSO-MUWHJKNJSA-N	-2	0	330.293	-0.053	20	0		EBADRL
NC(=O)c1ccccc1COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223724141	811727120	/nfs/dbraw/zinc/72/71/20/811727120.db2.gz	OGYQARSHSMUXDC-GXSJLCMTSA-N	-2	0	325.273	-0.635	20	0		EBADRL
COC(=O)c1ccnc(COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001223990171	811739189	/nfs/dbraw/zinc/73/91/89/811739189.db2.gz	VZYWSTWDDPNCCU-SECBINFHSA-N	-2	0	335.205	-0.618	20	0		EBADRL
CC(=O)N1CCC(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC1	ZINC001224285494	811755005	/nfs/dbraw/zinc/75/50/05/811755005.db2.gz	ZWMRYGSYBVSWGE-CMPLNLGQSA-N	-2	0	331.321	-0.676	20	0		EBADRL
O=C(COC(=O)[C@H](O)COP(=O)([O-])[O-])OCc1ccccc1	ZINC001224329268	811757307	/nfs/dbraw/zinc/75/73/07/811757307.db2.gz	BGXUQWOBNYXSFX-SNVBAGLBSA-N	-2	0	334.217	-0.257	20	0		EBADRL
CC(C)(C)OC(=O)NCCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224658248	811771279	/nfs/dbraw/zinc/77/12/79/811771279.db2.gz	YBKJEJWZLUJADO-WPRPVWTQSA-N	-2	0	349.336	-0.019	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCCC[P@@](=O)([O-])O)[C@H](O)C(=O)[O-]	ZINC001225018700	811787835	/nfs/dbraw/zinc/78/78/35/811787835.db2.gz	FTAYTEYNSCQZKK-XPUUQOCRSA-N	-3	0	328.210	-0.976	20	0		EBADRL
C[C@H](COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])NC(=O)OC(C)(C)C	ZINC001225159325	811795786	/nfs/dbraw/zinc/79/57/86/811795786.db2.gz	PGWBFKDPAPKQLB-MRTMQBJTSA-N	-2	0	349.336	-0.021	20	0		EBADRL
CN1C(=O)Cc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21	ZINC001225425910	811809650	/nfs/dbraw/zinc/80/96/50/811809650.db2.gz	KCIHKCKEFMTQEB-SNVBAGLBSA-N	-2	0	331.217	-0.419	20	0		EBADRL
COC(=O)c1cc(O)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225973337	811840377	/nfs/dbraw/zinc/84/03/77/811840377.db2.gz	KFJASYSSORCACV-LDYMZIIASA-N	-2	0	342.256	-0.379	20	0		EBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001225981681	811842045	/nfs/dbraw/zinc/84/20/45/811842045.db2.gz	MRFNQIOALGINPE-SECBINFHSA-N	-2	0	340.246	-0.534	20	0		EBADRL
O=C(Oc1ncn(-c2ccccc2)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226197584	811851259	/nfs/dbraw/zinc/85/12/59/811851259.db2.gz	ZCZLBXFSOZXQQM-SECBINFHSA-N	-2	0	329.205	-0.357	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226227783	811853593	/nfs/dbraw/zinc/85/35/93/811853593.db2.gz	WVFGFQQQEMPZBT-VHWMUFPASA-N	-2	0	340.210	-0.119	20	0		EBADRL
COC(=O)c1sccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226266702	811855471	/nfs/dbraw/zinc/85/54/71/811855471.db2.gz	BMJPGZJHAVXEPE-XRGYYRRGSA-N	-2	0	332.286	-0.024	20	0		EBADRL
CCOC(=O)c1cncnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226551356	811869079	/nfs/dbraw/zinc/86/90/79/811869079.db2.gz	ISRLMWIRRNMNHY-MUWHJKNJSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncncc1Br)[C@H](O)C(=O)[O-]	ZINC001226567735	811871339	/nfs/dbraw/zinc/87/13/39/811871339.db2.gz	INXLUMIURJAHJA-FFWSUHOLSA-N	-2	0	349.093	-0.319	20	0		EBADRL
NC(=S)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001226656881	811877831	/nfs/dbraw/zinc/87/78/31/811877831.db2.gz	ZCKYKIDIGYVGOP-WPRPVWTQSA-N	-2	0	327.314	-0.237	20	0		EBADRL
CCOC(=O)c1ccncc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226692417	811878948	/nfs/dbraw/zinc/87/89/48/811878948.db2.gz	MQIYANWBTHMNBA-LDYMZIIASA-N	-2	0	341.272	-0.300	20	0		EBADRL
Cn1c(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2ccccc21	ZINC001227094278	811903237	/nfs/dbraw/zinc/90/32/37/811903237.db2.gz	YQISEYDHXBZOOI-OTYXRUKQSA-N	-2	0	349.295	-0.020	20	0		EBADRL
Cn1c(=O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2ccccc21	ZINC001227094284	811903572	/nfs/dbraw/zinc/90/35/72/811903572.db2.gz	YQISEYDHXBZOOI-YMTOWFKASA-N	-2	0	349.295	-0.020	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1	ZINC001227130325	811905696	/nfs/dbraw/zinc/90/56/96/811905696.db2.gz	CTRSSETZSVYMBR-WKEGUHRASA-N	-2	0	342.260	-0.905	20	0		EBADRL
CC(C)N1C(=S)N=NC1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227226415	811912394	/nfs/dbraw/zinc/91/23/94/811912394.db2.gz	PWXSISFVBFOFSO-CAHLUQPWSA-N	-2	0	333.322	-0.411	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001227561571	811928402	/nfs/dbraw/zinc/92/84/02/811928402.db2.gz	MLYBQVJBSNIKPT-MWLCHTKSSA-N	-2	0	326.257	-0.085	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1Cl	ZINC001227955183	811952407	/nfs/dbraw/zinc/95/24/07/811952407.db2.gz	RUEXHIRQBKIZSL-MRVPVSSYSA-N	-2	0	339.624	-0.186	20	0		EBADRL
COC(=O)Cc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228268726	811972568	/nfs/dbraw/zinc/97/25/68/811972568.db2.gz	LFDVPUABBPHFNS-ZANVPECISA-N	-2	0	340.284	-0.156	20	0		EBADRL
Cc1noc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12	ZINC001228308100	811974579	/nfs/dbraw/zinc/97/45/79/811974579.db2.gz	VKBABZANAWDKFY-SVGQVSJJSA-N	-2	0	325.233	-0.632	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc1C	ZINC001228708323	811995808	/nfs/dbraw/zinc/99/58/08/811995808.db2.gz	NSZRXOMBUVWPQZ-MRVPVSSYSA-N	-2	0	335.205	-0.448	20	0		EBADRL
O=C(Oc1n[nH]c(-c2ccncc2)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228700446	811995898	/nfs/dbraw/zinc/99/58/98/811995898.db2.gz	SEOOOECZSNOWQB-SSDOTTSWSA-N	-2	0	330.193	-0.758	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001229101950	812011519	/nfs/dbraw/zinc/01/15/19/812011519.db2.gz	BAQAZTZVGWGUCJ-KWQFWETISA-N	-2	0	326.261	-0.518	20	0		EBADRL
CC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C(N)=O)c1	ZINC001229340059	812026925	/nfs/dbraw/zinc/02/69/25/812026925.db2.gz	UTBDDDPQQRXHFL-SECBINFHSA-N	-2	0	347.216	-0.636	20	0		EBADRL
COc1cnc(SC)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230034371	812070465	/nfs/dbraw/zinc/07/04/65/812070465.db2.gz	HKTYMZMNWAYUMI-YLWLKBPMSA-N	-2	0	346.317	-0.351	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(F)c1	ZINC001230318262	812103358	/nfs/dbraw/zinc/10/33/58/812103358.db2.gz	CWWCSQZYIBVGLD-MRVPVSSYSA-N	-2	0	338.180	-0.012	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc(Cl)nc2n[nH]cc21)[C@H](O)C(=O)[O-]	ZINC001231048687	812267935	/nfs/dbraw/zinc/26/79/35/812267935.db2.gz	RCUYQLFIMOEYCA-CVYQJGLWSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc[nH]c2cc(=O)ccc1-2)[C@H](O)C(=O)[O-]	ZINC001231116357	812274495	/nfs/dbraw/zinc/27/44/95/812274495.db2.gz	MZLYLXZVNWSJDF-KWQFWETISA-N	-2	0	336.256	-0.223	20	0		EBADRL
CCn1nc(C(C)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1C	ZINC001233664990	812327226	/nfs/dbraw/zinc/32/72/26/812327226.db2.gz	SPVWDWDDDGETFL-MRVPVSSYSA-N	-2	0	336.237	-0.210	20	0		EBADRL
COC(=O)c1cc(C)nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001234006426	812375327	/nfs/dbraw/zinc/37/53/27/812375327.db2.gz	ZURHFBSIRWDJPX-MRVPVSSYSA-N	-2	0	335.205	-0.448	20	0		EBADRL
NC(=O)c1c(F)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1F	ZINC001234592964	812441567	/nfs/dbraw/zinc/44/15/67/812441567.db2.gz	PAGVPHVBXGMEKC-SSDOTTSWSA-N	-2	0	341.159	-0.561	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(C(F)(F)F)[nH]n1)[C@@H](O)C(=O)[O-]	ZINC001234858992	812447650	/nfs/dbraw/zinc/44/76/50/812447650.db2.gz	NVZILPBRHMAWBV-WVBDSBKLSA-N	-2	0	326.183	-0.130	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nccc(-c2ccncc2)n1)[C@@H](O)C(=O)[O-]	ZINC001234674483	812447904	/nfs/dbraw/zinc/44/79/04/812447904.db2.gz	KXPWXNLKXUSEEJ-JOYOIKCWSA-N	-2	0	347.283	-0.020	20	0		EBADRL
O=C([N-]c1nnco1)c1noc2c1CN(C(=O)c1cc(=O)[nH][n-]1)CC2	ZINC001276019354	817341691	/nfs/dbraw/zinc/34/16/91/817341691.db2.gz	NYBCFALBIBSADG-UHFFFAOYSA-N	-2	0	345.275	-0.063	20	0		EBADRL
O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1COCCC12OCCO2	ZINC001180176767	833052463	/nfs/dbraw/zinc/05/24/63/833052463.db2.gz	NZFZXBIQTQCVPN-ZCFIWIBFSA-N	-2	0	331.218	-0.010	20	0		EBADRL
CNS(=O)(=O)c1cc(C(=O)Nc2nn3cnnc3s2)co1	ZINC001119042450	827053522	/nfs/dbraw/zinc/05/35/22/827053522.db2.gz	NKFDSUGQODMFAB-UHFFFAOYSA-N	-2	0	328.335	-0.061	20	0		EBADRL
CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCOP(=O)([O-])[O-]	ZINC001182634549	833249819	/nfs/dbraw/zinc/24/98/19/833249819.db2.gz	WEXQYDJRHROBCV-ZETCQYMHSA-N	-2	0	328.258	-0.903	20	0		EBADRL
O=C1CN(Cc2ccnc(NCCOP(=O)([O-])[O-])c2)CCN1	ZINC001168590255	832428171	/nfs/dbraw/zinc/42/81/71/832428171.db2.gz	YCUPLOYAYNGYFI-UHFFFAOYSA-N	-2	0	330.281	-0.465	20	0		EBADRL
O=C(Cn1nn[n-]c1=S)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001177741217	832801059	/nfs/dbraw/zinc/80/10/59/832801059.db2.gz	ZQAUNULMHCNTMF-UHFFFAOYSA-N	-2	0	340.346	-0.967	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@H](CO)[C@H](O)C1	ZINC001189870182	834203069	/nfs/dbraw/zinc/20/30/69/834203069.db2.gz	ARXGZTGCUAVYBE-MWLCHTKSSA-N	-2	0	331.261	-0.027	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@@H](O)[C@@H](CO)C1	ZINC001189872066	834203301	/nfs/dbraw/zinc/20/33/01/834203301.db2.gz	SPWODGSMKMFWQE-MWLCHTKSSA-N	-2	0	331.261	-0.027	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ncccc1N1CCOCC1	ZINC001199280335	835788079	/nfs/dbraw/zinc/78/80/79/835788079.db2.gz	KHDKIXJSXIDXOD-UHFFFAOYSA-N	-2	0	331.265	-0.243	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc2c(c1)OCO2)[C@H](O)C(=O)[O-]	ZINC001206272360	836635237	/nfs/dbraw/zinc/63/52/37/836635237.db2.gz	HEWXOUPVQTVSII-UFBFGSQYSA-N	-2	0	326.257	-0.005	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCOC(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001206529950	836654820	/nfs/dbraw/zinc/65/48/20/836654820.db2.gz	WIKJSPDCVCYJKM-JQWIXIFHSA-N	-2	0	340.284	-0.077	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)c1ccccc1O)[C@@H](O)C(=O)[O-]	ZINC001210591279	837302975	/nfs/dbraw/zinc/30/29/75/837302975.db2.gz	DZUJLHHBVYVRAO-PRHODGIISA-N	-2	0	326.257	-0.346	20	0		EBADRL
O=C(COCC(=O)[N-]OC[C@H]1CCOC1)[N-]OC[C@H]1CCOC1	ZINC001338861519	842872974	/nfs/dbraw/zinc/87/29/74/842872974.db2.gz	OXDSNODUGFWQNX-RYUDHWBXSA-N	-2	0	332.353	-0.828	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@](C)(O)C(=O)[O-])c1	ZINC001610904692	970783820	/nfs/dbraw/zinc/78/38/20/970783820.db2.gz	VZRKUDLXYNOAJB-ZDUSSCGKSA-N	-2	0	346.361	-0.792	20	0		EBADRL
NC(=O)CO[N-]C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl	ZINC001594641593	956425025	/nfs/dbraw/zinc/42/50/25/956425025.db2.gz	WYVASKYJCNVNMO-UHFFFAOYSA-N	-2	0	333.659	-0.351	20	0		EBADRL
O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001594701774	956806129	/nfs/dbraw/zinc/80/61/29/956806129.db2.gz	QVNOPXIKPOMDGJ-ZETCQYMHSA-N	-2	0	334.306	-0.627	20	0		EBADRL
Cc1cc(S(=O)(=O)NCCc2nc(=O)o[n-]2)ccc1C(=O)[O-]	ZINC000392158247	972417249	/nfs/dbraw/zinc/41/72/49/972417249.db2.gz	AZRFERLVYCFSQP-UHFFFAOYSA-N	-2	0	327.318	-0.109	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@](O)(C(=O)[O-])C1	ZINC001571179718	962139637	/nfs/dbraw/zinc/13/96/37/962139637.db2.gz	QXUOFBSPWLMGJN-CYBMUJFWSA-N	-2	0	328.346	-0.280	20	0		EBADRL
O=C([O-])[C@@H]1COCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000316738621	967981120	/nfs/dbraw/zinc/98/11/20/967981120.db2.gz	KJCGRQBKCBSAEA-VIFPVBQESA-N	-2	0	332.290	-0.226	20	0		EBADRL
COCCO[N-]C(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1	ZINC001604618928	973741643	/nfs/dbraw/zinc/74/16/43/973741643.db2.gz	BAMBMSSFQFSJOX-CQSZACIVSA-N	-2	0	348.352	-0.229	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC001592359896	977844747	/nfs/dbraw/zinc/84/47/47/977844747.db2.gz	NIYGYNGMGYQALS-IUCAKERBSA-N	-2	0	331.350	-0.240	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1	ZINC001596969349	986192517	/nfs/dbraw/zinc/19/25/17/986192517.db2.gz	YZZUEPJPAMSLJX-SNVBAGLBSA-N	-2	0	343.380	-0.480	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@H]1C(=O)[O-]	ZINC001594561205	986313948	/nfs/dbraw/zinc/31/39/48/986313948.db2.gz	HTKIHZYZQLDHKS-PSASIEDQSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1	ZINC001589453245	986858819	/nfs/dbraw/zinc/85/88/19/986858819.db2.gz	PFBWXHCJCPKWEU-BDAKNGLRSA-N	-2	0	346.361	-0.045	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC001589454442	986879367	/nfs/dbraw/zinc/87/93/67/986879367.db2.gz	WEGZCLAWRAMBGZ-ZETCQYMHSA-N	-2	0	330.318	-0.291	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(OC(F)F)n(C)n1	ZINC001589492097	987062657	/nfs/dbraw/zinc/06/26/57/987062657.db2.gz	RHBQROVELSJEIU-SCSAIBSYSA-N	-2	0	327.265	-0.446	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCN(CC(F)F)CC1	ZINC001589493618	987068870	/nfs/dbraw/zinc/06/88/70/987068870.db2.gz	DRXBSGVCAITNQZ-SSDOTTSWSA-N	-2	0	328.337	-0.117	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCCN1C(=O)C(C)(C)C	ZINC001589495823	987074949	/nfs/dbraw/zinc/07/49/49/987074949.db2.gz	RDXAGJCUJBASEY-DTWKUNHWSA-N	-2	0	334.394	-0.057	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC001589496640	987080130	/nfs/dbraw/zinc/08/01/30/987080130.db2.gz	ZOAVSQROBWVLRV-HLTSFMKQSA-N	-2	0	346.361	-0.919	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cn1	ZINC001589672198	987672729	/nfs/dbraw/zinc/67/27/29/987672729.db2.gz	MCZLXYXAQYHBPP-UHFFFAOYSA-N	-2	0	345.319	-0.274	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599851385	989018699	/nfs/dbraw/zinc/01/86/99/989018699.db2.gz	UFUCMJGRFPLWNW-IEBDPFPHSA-N	-2	0	342.348	-0.696	20	0		EBADRL
CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)[O-]	ZINC001590429396	989981536	/nfs/dbraw/zinc/98/15/36/989981536.db2.gz	GGEUBPHFXZZXSV-RHLNDXSLSA-N	-2	0	328.412	-0.041	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001599757230	992070032	/nfs/dbraw/zinc/07/00/32/992070032.db2.gz	KUGPMKXUKZCLEN-UHFFFAOYSA-N	-2	0	328.346	-0.491	20	0		EBADRL
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1=O	ZINC001598561824	993095866	/nfs/dbraw/zinc/09/58/66/993095866.db2.gz	DZYPHXKZBTZAKH-JTQLQIEISA-N	-2	0	346.299	-0.603	20	0		EBADRL
CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC001598653284	994479438	/nfs/dbraw/zinc/47/94/38/994479438.db2.gz	LKXVSAYOZWYFIT-UHFFFAOYSA-N	-2	0	335.363	-0.430	20	0		EBADRL
CNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)co1	ZINC001598673529	994800584	/nfs/dbraw/zinc/80/05/84/994800584.db2.gz	SHILBFUZFGDGIN-LLVKDONJSA-N	-2	0	334.375	-0.122	20	0		EBADRL
C[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)C1	ZINC001593783375	996494384	/nfs/dbraw/zinc/49/43/84/996494384.db2.gz	JLJSWHXLANRWQC-YMTOWFKASA-N	-2	0	344.389	-0.414	20	0		EBADRL
CC1(C)CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@H](C(=O)[O-])CO1	ZINC001593947376	997003440	/nfs/dbraw/zinc/00/34/40/997003440.db2.gz	SJKKBWCMRYHYSW-VIFPVBQESA-N	-2	0	332.334	-0.034	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1	ZINC001599232790	997892741	/nfs/dbraw/zinc/89/27/41/997892741.db2.gz	ZFVDCGIZRQGJGL-UHFFFAOYSA-N	-2	0	330.362	-0.134	20	0		EBADRL
C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CS2	ZINC001594086069	998008306	/nfs/dbraw/zinc/00/83/06/998008306.db2.gz	VCUHIWALNVWKQI-WRWORJQWSA-N	-2	0	336.391	-0.639	20	0		EBADRL
CO[C@@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001599140406	998118781	/nfs/dbraw/zinc/11/87/81/998118781.db2.gz	RNOOECQNEXMRBP-VHSXEESVSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])oc1Cl	ZINC001598954202	998210620	/nfs/dbraw/zinc/21/06/20/998210620.db2.gz	PEDIYSCJYFATLT-RXMQYKEDSA-N	-2	0	327.698	-0.557	20	0		EBADRL
COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001599151224	998301825	/nfs/dbraw/zinc/30/18/25/998301825.db2.gz	QXZKWGMVIQOXAY-LLVKDONJSA-N	-2	0	336.322	-0.381	20	0		EBADRL
[NH3+][C@H](CSSC[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-])C(=O)[O-]	ZINC000001737857	1131391309	/nfs/dbraw/zinc/39/13/09/1131391309.db2.gz	NMOJCHKNRDYDHV-DMTCNVIQSA-N	-2	0	336.313	-0.089	20	0		EBADRL
NC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260392573	1130544654	/nfs/dbraw/zinc/54/46/54/1130544654.db2.gz	GWEUNMFZJKRRGJ-UHFFFAOYSA-N	-2	0	338.301	-0.220	20	0		EBADRL
CCn1[n-]nnc1=NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1	ZINC001365199425	1132577898	/nfs/dbraw/zinc/57/78/98/1132577898.db2.gz	FKWLBEWJUFHMSW-JTQLQIEISA-N	-2	0	335.290	-0.210	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000317303977	377204425	/nfs/dbraw/zinc/20/44/25/377204425.db2.gz	UPQAWERIZWNGKZ-VIFPVBQESA-N	-2	0	330.318	-0.700	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000317303976	377204791	/nfs/dbraw/zinc/20/47/91/377204791.db2.gz	UPQAWERIZWNGKZ-SECBINFHSA-N	-2	0	330.318	-0.700	20	0		EBADRL
COCCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000322723081	377291983	/nfs/dbraw/zinc/29/19/83/377291983.db2.gz	RIAHUITVJISKCQ-NSHDSACASA-N	-2	0	347.345	-0.082	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275058644	379733232	/nfs/dbraw/zinc/73/32/32/379733232.db2.gz	YKHQUOBECQRPEE-SECBINFHSA-N	-2	0	345.329	-0.073	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000280113997	379971414	/nfs/dbraw/zinc/97/14/14/379971414.db2.gz	NSENXDIVPVHZSL-UHFFFAOYSA-N	-2	0	344.324	-0.154	20	0		EBADRL
COc1cccc(C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])c1	ZINC000630245284	380019615	/nfs/dbraw/zinc/01/96/15/380019615.db2.gz	ZKJJNHNBGDKPON-GFCCVEGCSA-N	-2	0	347.327	-0.080	20	0		EBADRL
COc1cncc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000541909613	380038054	/nfs/dbraw/zinc/03/80/54/380038054.db2.gz	SUZOWXKDKFMZNC-GFCCVEGCSA-N	-2	0	332.334	-0.066	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000547552918	380143460	/nfs/dbraw/zinc/14/34/60/380143460.db2.gz	NMZIDZORXVVHDH-UHFFFAOYSA-N	-2	0	332.290	-0.104	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000547884708	380168412	/nfs/dbraw/zinc/16/84/12/380168412.db2.gz	MLGBXJIOYFGZNE-ZETCQYMHSA-N	-2	0	348.333	-0.735	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000547896182	380169926	/nfs/dbraw/zinc/16/99/26/380169926.db2.gz	FKQYIDXUVHBZOQ-SSDOTTSWSA-N	-2	0	349.317	-0.172	20	0		EBADRL
CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548201454	380189117	/nfs/dbraw/zinc/18/91/17/380189117.db2.gz	QQYVZWVTVYCZCG-NSHDSACASA-N	-2	0	344.345	-0.125	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548218773	380191877	/nfs/dbraw/zinc/19/18/77/380191877.db2.gz	DKACILMPNNSNCT-MRVPVSSYSA-N	-2	0	330.318	-0.761	20	0		EBADRL
COCCn1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])cn1	ZINC000548263632	380195536	/nfs/dbraw/zinc/19/55/36/380195536.db2.gz	DYEWRBNFSFIRRC-LBPRGKRZSA-N	-2	0	349.365	-0.627	20	0		EBADRL
Cc1cnn(C)c1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000551914371	380276609	/nfs/dbraw/zinc/27/66/09/380276609.db2.gz	VLCWAFBRHIJEBU-LBPRGKRZSA-N	-2	0	331.350	-0.331	20	0		EBADRL
COC(=O)CCN(C)S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000573181206	380662411	/nfs/dbraw/zinc/66/24/11/380662411.db2.gz	HVVXBOIVAMNCIH-MRVPVSSYSA-N	-2	0	340.354	-0.976	20	0		EBADRL
Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000011174883	381108830	/nfs/dbraw/zinc/10/88/30/381108830.db2.gz	MPEYHPVXIAROHQ-UHFFFAOYSA-N	-2	0	339.329	-0.417	20	0		EBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)CCOCC2CC2)C[C@H]1C(=O)[O-]	ZINC000583807621	381145146	/nfs/dbraw/zinc/14/51/46/381145146.db2.gz	SNELQGPEUHNIDU-WDEREUQCSA-N	-2	0	335.378	-0.150	20	0		EBADRL
COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274922770	292012943	/nfs/dbraw/zinc/01/29/43/292012943.db2.gz	NECHOHGNKFMALF-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-]	ZINC000262422430	154230584	/nfs/dbraw/zinc/23/05/84/154230584.db2.gz	NGZWGTPRZPDDDR-LURJTMIESA-N	-2	0	336.753	-0.045	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000262951004	154251257	/nfs/dbraw/zinc/25/12/57/154251257.db2.gz	IUAKQBPUIUMSDD-NSHDSACASA-N	-2	0	328.346	-0.016	20	0		EBADRL
Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C(=O)[O-])C(C)C)cn1C	ZINC000262931327	154251272	/nfs/dbraw/zinc/25/12/72/154251272.db2.gz	XPQRNEWKGRQEHO-GFCCVEGCSA-N	-2	0	346.409	-0.378	20	0		EBADRL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1	ZINC000357203359	157125720	/nfs/dbraw/zinc/12/57/20/157125720.db2.gz	RLQKHFIMIGJAIX-UHFFFAOYSA-N	-2	0	346.324	-0.135	20	0		EBADRL
CN(C)C(=O)Cn1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1	ZINC000357510851	157151495	/nfs/dbraw/zinc/15/14/95/157151495.db2.gz	BVRWSQPQYBXJHJ-UHFFFAOYSA-N	-2	0	341.349	-0.202	20	0		EBADRL
Cc1n[n-]c(=NC(=O)NCCNC(=O)N=c2[n-]nc(C)s2)s1	ZINC000523485422	420726380	/nfs/dbraw/zinc/72/63/80/420726380.db2.gz	JXPQHULGKSIBJN-UHFFFAOYSA-N	-2	0	342.410	-0.207	20	0		EBADRL
O=C([O-])c1cccc(C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1	ZINC000424242971	265054868	/nfs/dbraw/zinc/05/48/68/265054868.db2.gz	MPDZVIWODPOJGI-SNVBAGLBSA-N	-2	0	327.314	-0.291	20	0		EBADRL
CCCc1nc(=NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s[n-]1	ZINC000424391326	265059843	/nfs/dbraw/zinc/05/98/43/265059843.db2.gz	QCDBSFHAZTZNCX-ZETCQYMHSA-N	-2	0	348.406	-0.372	20	0		EBADRL
CCCc1n[n-]c(=NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1	ZINC000424473778	265064485	/nfs/dbraw/zinc/06/44/85/265064485.db2.gz	RCHHCQYFTZMJAA-ZETCQYMHSA-N	-2	0	348.406	-0.372	20	0		EBADRL
Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000319635853	545733230	/nfs/dbraw/zinc/73/32/30/545733230.db2.gz	BKEUDNRHFFIDQW-SNVBAGLBSA-N	-2	0	344.345	-0.310	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000319851213	545734654	/nfs/dbraw/zinc/73/46/54/545734654.db2.gz	NJXXWNMJMLZLJY-MRVPVSSYSA-N	-2	0	343.317	-0.548	20	0		EBADRL
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000322875404	545823615	/nfs/dbraw/zinc/82/36/15/545823615.db2.gz	ZVJYSSPBVVDMPJ-SECBINFHSA-N	-2	0	348.308	-0.010	20	0		EBADRL
CN(C(=O)[O-])C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000737930972	582595043	/nfs/dbraw/zinc/59/50/43/582595043.db2.gz	UWXWLQFIJQPBIO-UHFFFAOYSA-N	-2	0	334.336	-0.328	20	0		EBADRL
COCCN(CCC(=O)[O-])C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000737798398	582688090	/nfs/dbraw/zinc/68/80/90/582688090.db2.gz	MYSYXASPYAKRDV-UHFFFAOYSA-N	-2	0	336.304	-0.001	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)C(=O)[O-]	ZINC000731049810	582834195	/nfs/dbraw/zinc/83/41/95/582834195.db2.gz	PUDYXDKPOWTDBQ-VIFPVBQESA-N	-2	0	331.302	-0.321	20	0		EBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1	ZINC000749140590	583125958	/nfs/dbraw/zinc/12/59/58/583125958.db2.gz	AWEUEPJNUUUMIM-UHFFFAOYSA-N	-2	0	334.281	-0.997	20	0		EBADRL
Cn1nccc1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759654404	583215962	/nfs/dbraw/zinc/21/59/62/583215962.db2.gz	PEORYEZAYMVUTM-UHFFFAOYSA-N	-2	0	342.299	-0.318	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000776437602	583404206	/nfs/dbraw/zinc/40/42/06/583404206.db2.gz	WLLYWIALQNZCLR-MRVPVSSYSA-N	-2	0	331.350	-0.184	20	0		EBADRL
Cn1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000776585513	583406653	/nfs/dbraw/zinc/40/66/53/583406653.db2.gz	UKYDBAUOYCFPLP-JTQLQIEISA-N	-2	0	339.757	-0.083	20	0		EBADRL
O=C([O-])c1ccccc1OCCN1CCS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000817874503	583730665	/nfs/dbraw/zinc/73/06/65/583730665.db2.gz	FSRVFFOAUNRGIH-LLVKDONJSA-N	-2	0	343.357	-0.053	20	0		EBADRL
O=C([O-])[C@H]1CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CCO1	ZINC000819307214	583757193	/nfs/dbraw/zinc/75/71/93/583757193.db2.gz	NWHJJSIJACWJHM-LLVKDONJSA-N	-2	0	349.368	-0.003	20	0		EBADRL
CC(C)(C)CC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823761041	583836836	/nfs/dbraw/zinc/83/68/36/583836836.db2.gz	XXXYDBNLAQEDJF-SECBINFHSA-N	-2	0	349.409	-0.263	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000827303496	583918639	/nfs/dbraw/zinc/91/86/39/583918639.db2.gz	GCJDSPAJZJVJNW-QMMMGPOBSA-N	-2	0	340.357	-0.112	20	0		EBADRL
CN(C[C@@H]1CCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC000828197676	583935782	/nfs/dbraw/zinc/93/57/82/583935782.db2.gz	DFQHRBKHOCGZHO-VIFPVBQESA-N	-2	0	334.336	-0.328	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)CC1(NC(=O)[O-])CCC1	ZINC000828670235	583944845	/nfs/dbraw/zinc/94/48/45/583944845.db2.gz	CJACHPKNBREYJK-UHFFFAOYSA-N	-2	0	336.366	-0.034	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1	ZINC000829002753	583949890	/nfs/dbraw/zinc/94/98/90/583949890.db2.gz	XUWFEHVSXYOHNA-UWVGGRQHSA-N	-2	0	338.382	-0.468	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000829729104	583957756	/nfs/dbraw/zinc/95/77/56/583957756.db2.gz	CBKMCSLZEADJJA-SSDOTTSWSA-N	-2	0	334.379	-0.329	20	0		EBADRL
Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830846551	583971412	/nfs/dbraw/zinc/97/14/12/583971412.db2.gz	PFSCESRTBNYKQU-SECBINFHSA-N	-2	0	330.366	-0.151	20	0		EBADRL
COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000831067784	583975598	/nfs/dbraw/zinc/97/55/98/583975598.db2.gz	WAZNWCFQQUJBEG-VIFPVBQESA-N	-2	0	335.272	-0.224	20	0		EBADRL
NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1	ZINC000831234654	583979620	/nfs/dbraw/zinc/97/96/20/583979620.db2.gz	TVIVGGFTLWIFKU-JTQLQIEISA-N	-2	0	341.345	-0.403	20	0		EBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)N1CCCC1	ZINC000831414083	583982574	/nfs/dbraw/zinc/98/25/74/583982574.db2.gz	JHEMFKNUTNNGBU-VIFPVBQESA-N	-2	0	337.423	-0.071	20	0		EBADRL
COC(=O)c1ccnc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000831457512	583982876	/nfs/dbraw/zinc/98/28/76/583982876.db2.gz	HYQJHSPEVDNAQI-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)c1cnccn1	ZINC000831475028	583983301	/nfs/dbraw/zinc/98/33/01/583983301.db2.gz	VQPWMYLYGYIZDB-SECBINFHSA-N	-2	0	344.349	-0.560	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000831710429	583990381	/nfs/dbraw/zinc/99/03/81/583990381.db2.gz	WKTDWIMVPYXLTG-UHFFFAOYSA-N	-2	0	346.361	-0.297	20	0		EBADRL
O=C([O-])N1CCc2c1cccc2NC(=O)C(=O)NCc1nnn[n-]1	ZINC000831731173	583990718	/nfs/dbraw/zinc/99/07/18/583990718.db2.gz	SQZOUQBDMOKTJV-UHFFFAOYSA-N	-2	0	331.292	-0.505	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)C1	ZINC000831748118	583991162	/nfs/dbraw/zinc/99/11/62/583991162.db2.gz	TXAMOYBBCGSSTJ-VIFPVBQESA-N	-2	0	339.333	-0.459	20	0		EBADRL
O=C([O-])C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000833207351	584007059	/nfs/dbraw/zinc/00/70/59/584007059.db2.gz	LALJHLGIXWFDOG-SSDOTTSWSA-N	-2	0	348.358	-0.590	20	0		EBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc3c2COC3=O)n1	ZINC000833276706	584008390	/nfs/dbraw/zinc/00/83/90/584008390.db2.gz	RYAQINKELFKQMY-UHFFFAOYSA-N	-2	0	338.301	-0.166	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)nc1C	ZINC000833681873	584013653	/nfs/dbraw/zinc/01/36/53/584013653.db2.gz	JXJPAMKKWIIYTO-UHFFFAOYSA-N	-2	0	339.333	-0.182	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)C1	ZINC000834050833	584025472	/nfs/dbraw/zinc/02/54/72/584025472.db2.gz	GOQZGBMXPSPSIX-VIFPVBQESA-N	-2	0	349.752	-0.081	20	0		EBADRL
O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000834094719	584026127	/nfs/dbraw/zinc/02/61/27/584026127.db2.gz	QGKIVXIBPGJMRY-ZJUUUORDSA-N	-2	0	346.347	-0.186	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-]	ZINC000846493263	584126696	/nfs/dbraw/zinc/12/66/96/584126696.db2.gz	SUXLYWWFJCHKSW-UHFFFAOYSA-N	-2	0	345.377	-0.560	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000851704085	584200708	/nfs/dbraw/zinc/20/07/08/584200708.db2.gz	SGZIWWKCJYJCAG-LYFYHCNISA-N	-2	0	340.254	-0.170	20	0		EBADRL
Cn1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1	ZINC000851704072	584200823	/nfs/dbraw/zinc/20/08/23/584200823.db2.gz	SARDXDGBDKLBFX-HTRCEHHLSA-N	-2	0	349.269	-0.449	20	0		EBADRL
CCO[N-]C(=O)CNc1ncnc(NCC(=O)[N-]OCC)c1C	ZINC000853711681	584230869	/nfs/dbraw/zinc/23/08/69/584230869.db2.gz	AXPZXXOODXESSC-UHFFFAOYSA-N	-2	0	326.357	-0.256	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-]	ZINC000863953814	584380880	/nfs/dbraw/zinc/38/08/80/584380880.db2.gz	ZUMOVDISEPUPQL-UHFFFAOYSA-N	-2	0	343.361	-0.301	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC000863955179	584381069	/nfs/dbraw/zinc/38/10/69/584381069.db2.gz	CMNYLNNBPRKJAY-UHFFFAOYSA-N	-2	0	330.318	-0.207	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c(C)nn1C	ZINC000863959402	584381522	/nfs/dbraw/zinc/38/15/22/584381522.db2.gz	CWYVIPZSLBJDNP-QMMMGPOBSA-N	-2	0	333.366	-0.101	20	0		EBADRL
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863961907	584381701	/nfs/dbraw/zinc/38/17/01/584381701.db2.gz	SKFNXQNFIZNZDU-MRVPVSSYSA-N	-2	0	325.339	-0.735	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1)OC	ZINC000863964551	584382106	/nfs/dbraw/zinc/38/21/06/584382106.db2.gz	LTGGXDLFBGXWFZ-QWRGUYRKSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1)OC	ZINC000863964694	584382118	/nfs/dbraw/zinc/38/21/18/584382118.db2.gz	MKRGPHSUFZJLLD-VIFPVBQESA-N	-2	0	332.334	-0.499	20	0		EBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000739169707	599729155	/nfs/dbraw/zinc/72/91/55/599729155.db2.gz	KVRWXYGPSOXVBQ-NXEZZACHSA-N	-2	0	341.345	-0.620	20	0		EBADRL
Cc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC000738660181	600179219	/nfs/dbraw/zinc/17/92/19/600179219.db2.gz	JNRMWHDTYPXEGW-UHFFFAOYSA-N	-2	0	335.359	-0.457	20	0		EBADRL
O=C(CC1CCOCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000739223054	600377432	/nfs/dbraw/zinc/37/74/32/600377432.db2.gz	NCPYHIJDENXNMJ-UHFFFAOYSA-N	-2	0	334.394	-0.039	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000739691224	600460721	/nfs/dbraw/zinc/46/07/21/600460721.db2.gz	GKMLRAXUNZFCAC-UHFFFAOYSA-N	-2	0	342.329	-0.058	20	0		EBADRL
NC(=O)c1ccc(OCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1	ZINC000739179836	600462580	/nfs/dbraw/zinc/46/25/80/600462580.db2.gz	BSJMGLYQPQOPSN-UHFFFAOYSA-N	-2	0	344.345	-0.525	20	0		EBADRL
O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739715518	600491007	/nfs/dbraw/zinc/49/10/07/600491007.db2.gz	HMNUJABXZWIBMY-JTQLQIEISA-N	-2	0	349.347	-0.447	20	0		EBADRL
O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cn1	ZINC000739911997	600530484	/nfs/dbraw/zinc/53/04/84/600530484.db2.gz	UJTGRYIJLXZQHA-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
O=C([O-])Cn1cc(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cn1	ZINC000739912314	600531650	/nfs/dbraw/zinc/53/16/50/600531650.db2.gz	TZSNQILYWZBDKF-UHFFFAOYSA-N	-2	0	330.260	-0.031	20	0		EBADRL
Cc1cccc(N(CC(=O)[O-])C(=O)Cn2[n-]cc3c(=O)ncnc2-3)n1	ZINC000738723214	600674764	/nfs/dbraw/zinc/67/47/64/600674764.db2.gz	RCQMLRSHYLXKCB-UHFFFAOYSA-N	-2	0	342.315	-0.108	20	0		EBADRL
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)C1CCN(C(=O)[O-])CC1	ZINC000739575046	602498965	/nfs/dbraw/zinc/49/89/65/602498965.db2.gz	GZFFOMDUCOMUNJ-UHFFFAOYSA-N	-2	0	334.336	-0.328	20	0		EBADRL
O=C([O-])N1CCC[C@H](CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000740386725	602510355	/nfs/dbraw/zinc/51/03/55/602510355.db2.gz	DJPAINBJHJGZSQ-SECBINFHSA-N	-2	0	334.336	-0.423	20	0		EBADRL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000740378237	603155227	/nfs/dbraw/zinc/15/52/27/603155227.db2.gz	OMOIMAVDATWRBL-NWDGAFQWSA-N	-2	0	338.316	-0.109	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000740244979	604210114	/nfs/dbraw/zinc/21/01/14/604210114.db2.gz	DRBRTJHPYVKXAB-MRVPVSSYSA-N	-2	0	348.406	-0.105	20	0		EBADRL
O=C([N-]NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccccn1	ZINC000048167961	649949126	/nfs/dbraw/zinc/94/91/26/649949126.db2.gz	FAXUQZWZLHOUEX-UHFFFAOYSA-N	-2	0	326.272	-0.507	20	0		EBADRL
COc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000650417749	650029544	/nfs/dbraw/zinc/02/95/44/650029544.db2.gz	YKSUATIDTRKHEY-VHSXEESVSA-N	-2	0	344.345	-0.114	20	0		EBADRL
O=C([O-])CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000916107698	650272790	/nfs/dbraw/zinc/27/27/90/650272790.db2.gz	ALFGODPYFSRFIR-UHFFFAOYSA-N	-2	0	344.345	-0.356	20	0		EBADRL
Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])sc1C(=O)[O-]	ZINC000917716833	650284068	/nfs/dbraw/zinc/28/40/68/650284068.db2.gz	DXTNKSSBFGVNLL-YFKPBYRVSA-N	-3	0	337.331	-0.039	20	0		EBADRL
Cc1cc(C)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000917721788	650284156	/nfs/dbraw/zinc/28/41/56/650284156.db2.gz	ICYMQOQPOKVRJP-UHFFFAOYSA-N	-2	0	344.345	-0.519	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](NC(=O)c3[nH]nc(C)c3[O-])C2)c1[O-]	ZINC000974039692	725852402	/nfs/dbraw/zinc/85/24/02/725852402.db2.gz	TVDAJADUGJFNCX-OCAPTIKFSA-N	-2	0	334.336	-0.148	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@@H]3CCN(Cc4n[nH]c(=O)[n-]4)[C@@H]3C2)c1[O-]	ZINC001042015524	732277299	/nfs/dbraw/zinc/27/72/99/732277299.db2.gz	JANHNKMKGGSQCG-VHSXEESVSA-N	-2	0	347.379	-0.016	20	0		EBADRL
NC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001223105626	811682541	/nfs/dbraw/zinc/68/25/41/811682541.db2.gz	IYOLJDFITBIYES-ONGXEEELSA-N	-2	0	325.273	-0.635	20	0		EBADRL
CN(C)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223511819	811711213	/nfs/dbraw/zinc/71/12/13/811711213.db2.gz	HLLBBJNQZXQFPE-SKDRFNHKSA-N	-2	0	326.305	-0.273	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001223533784	811712515	/nfs/dbraw/zinc/71/25/15/811712515.db2.gz	VRSXVFYKTIHVMR-GZMMTYOYSA-N	-2	0	341.272	-0.552	20	0		EBADRL
C[C@H](COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])NC(=O)OC(C)(C)C	ZINC001225159326	811796094	/nfs/dbraw/zinc/79/60/94/811796094.db2.gz	PGWBFKDPAPKQLB-NQMVMOMDSA-N	-2	0	349.336	-0.021	20	0		EBADRL
CN1C(=O)Cc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21	ZINC001225428747	811808924	/nfs/dbraw/zinc/80/89/24/811808924.db2.gz	YJKGYCBMRFGILQ-ZANVPECISA-N	-2	0	337.284	-0.353	20	0		EBADRL
CCNC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225483523	811813466	/nfs/dbraw/zinc/81/34/66/811813466.db2.gz	LKDQAGZHAUAQCO-JOYOIKCWSA-N	-2	0	339.300	-0.122	20	0		EBADRL
O=C(Oc1ccc(-n2cnnn2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225487282	811813722	/nfs/dbraw/zinc/81/37/22/811813722.db2.gz	ZXDOTGXILIYWIO-SECBINFHSA-N	-2	0	330.193	-0.962	20	0		EBADRL
Cc1cc2c(cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC(=O)N2	ZINC001225510942	811815842	/nfs/dbraw/zinc/81/58/42/811815842.db2.gz	AWESBUXMIMQMHE-AMIZOPFISA-N	-2	0	337.284	-0.069	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001225679219	811823158	/nfs/dbraw/zinc/82/31/58/811823158.db2.gz	QJHYDGGEBXXOJW-KOLCDFICSA-N	-2	0	326.257	-0.085	20	0		EBADRL
COC(=O)c1ccc(F)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225705360	811825492	/nfs/dbraw/zinc/82/54/92/811825492.db2.gz	WZZMBXLWUJRIHH-MRVPVSSYSA-N	-2	0	338.180	-0.012	20	0		EBADRL
COC(=O)c1c(F)cccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225940211	811836760	/nfs/dbraw/zinc/83/67/60/811836760.db2.gz	SKAPJAIVCAGVMM-SSDOTTSWSA-N	-2	0	338.180	-0.012	20	0		EBADRL
COCc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[nH]c(=S)n1	ZINC001225936603	811837221	/nfs/dbraw/zinc/83/72/21/811837221.db2.gz	BNTGLGGSIMMNIB-HZGVNTEJSA-N	-2	0	346.317	-0.647	20	0		EBADRL
CC(=O)Nc1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226151617	811847610	/nfs/dbraw/zinc/84/76/10/811847610.db2.gz	RXZTUTOTRALVOR-GMSGAONNSA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ncncc1Br)[C@@H](O)C(=O)[O-]	ZINC001226567737	811870887	/nfs/dbraw/zinc/87/08/87/811870887.db2.gz	INXLUMIURJAHJA-MHTLYPKNSA-N	-2	0	349.093	-0.319	20	0		EBADRL
O=C([O-])C[C@H](O)C(=O)Oc1[nH]c(=O)nc2nc(Br)[n-]c21	ZINC001227594016	811929894	/nfs/dbraw/zinc/92/98/94/811929894.db2.gz	KFHXRYCOJYRYTC-REOHCLBHSA-N	-2	0	347.081	-0.438	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001227830524	811944058	/nfs/dbraw/zinc/94/40/58/811944058.db2.gz	SCVCZAWFYIJOJT-LHLIQPBNSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)C(=O)NCC2)[C@@H](O)C(=O)[O-]	ZINC001227958778	811952298	/nfs/dbraw/zinc/95/22/98/811952298.db2.gz	ROJAOUNKVUNVQW-CMPLNLGQSA-N	-2	0	337.284	-0.586	20	0		EBADRL
COC(=O)c1cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001228092708	811961593	/nfs/dbraw/zinc/96/15/93/811961593.db2.gz	LODSJLBICRRRAS-ONGXEEELSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COC(=O)c1ccc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228192452	811967934	/nfs/dbraw/zinc/96/79/34/811967934.db2.gz	KPNUCFLKQYOQGI-KWQFWETISA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(Br)nn1)[C@H](O)C(=O)[O-]	ZINC001228282152	811973525	/nfs/dbraw/zinc/97/35/25/811973525.db2.gz	HRBZDLHCFLEJGC-NVNXEXLPSA-N	-2	0	349.093	-0.319	20	0		EBADRL
CCOC(=O)c1cncc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001228559994	811987040	/nfs/dbraw/zinc/98/70/40/811987040.db2.gz	IQSASLMBVOQXSY-KOLCDFICSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CNC(=O)C2)[C@@H](O)C(=O)[O-]	ZINC001229636063	812045332	/nfs/dbraw/zinc/04/53/32/812045332.db2.gz	JRLSDAHMJUESQH-ZWNOBZJWSA-N	-2	0	337.284	-0.699	20	0		EBADRL
COCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001229740521	812053103	/nfs/dbraw/zinc/05/31/03/812053103.db2.gz	IBTRHVQWAWXBRN-ZWNOBZJWSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(C(F)(F)F)cnn1)[C@@H](O)C(=O)[O-]	ZINC001229746310	812054857	/nfs/dbraw/zinc/05/48/57/812054857.db2.gz	MOJXCVPRWZHYIE-SVGQVSJJSA-N	-2	0	338.194	-0.063	20	0		EBADRL
CCOC(=O)c1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001229855907	812059248	/nfs/dbraw/zinc/05/92/48/812059248.db2.gz	GEEAVOAWKBIXTP-CBAPKCEASA-N	-2	0	342.260	-0.905	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F	ZINC001229890612	812060384	/nfs/dbraw/zinc/06/03/84/812060384.db2.gz	BGGNGMSMSRPSGF-OIBJUYFYSA-N	-2	0	329.236	-0.634	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1F	ZINC001229890601	812060748	/nfs/dbraw/zinc/06/07/48/812060748.db2.gz	BGGNGMSMSRPSGF-GMSGAONNSA-N	-2	0	329.236	-0.634	20	0		EBADRL
COC(=O)c1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@@H](O)CC(=O)[O-]	ZINC001230204831	812086487	/nfs/dbraw/zinc/08/64/87/812086487.db2.gz	KQWMVJXTVAPVGP-VIFPVBQESA-N	-2	0	336.256	-0.137	20	0		EBADRL
COC(=O)c1c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccn1C	ZINC001233787266	812344105	/nfs/dbraw/zinc/34/41/05/812344105.db2.gz	GQVKBRPOFQIRKJ-LDWIPMOCSA-N	-2	0	329.261	-0.747	20	0		EBADRL
COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)n1	ZINC001234255615	812402883	/nfs/dbraw/zinc/40/28/83/812402883.db2.gz	LKBQXLDNPCVSGZ-LDWIPMOCSA-N	-2	0	329.261	-0.459	20	0		EBADRL
CS(=O)(=O)c1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001234544698	812438620	/nfs/dbraw/zinc/43/86/20/812438620.db2.gz	QFPKEYYKFOEAPK-SECBINFHSA-N	-2	0	340.246	-0.534	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)N1Cc2ccccc2S1(=O)=O)[C@H](O)C(=O)[O-]	ZINC001250383751	812610183	/nfs/dbraw/zinc/61/01/83/812610183.db2.gz	XHTPATNEAQDSQJ-KCJUWKMLSA-N	-2	0	343.313	-0.746	20	0		EBADRL
Nc1nc(=O)c(F)cn1C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC001148926797	830557543	/nfs/dbraw/zinc/55/75/43/830557543.db2.gz	VHCRYUHOUMFTFQ-UHFFFAOYSA-N	-2	0	329.265	-0.152	20	0		EBADRL
CC(=O)[N-]S(=O)(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)nc1	ZINC001155844484	831434717	/nfs/dbraw/zinc/43/47/17/831434717.db2.gz	NAINAHGDGUBVJP-SECBINFHSA-N	-2	0	330.347	-0.373	20	0		EBADRL
NC(=O)C1CCN(c2ccc(NCCOP(=O)([O-])[O-])nn2)CC1	ZINC001168587850	832427637	/nfs/dbraw/zinc/42/76/37/832427637.db2.gz	XSODRRGJFFYKRM-UHFFFAOYSA-N	-2	0	345.296	-0.301	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@H]1CCCN(c2ccncn2)C1	ZINC001178135934	832830900	/nfs/dbraw/zinc/83/09/00/832830900.db2.gz	CGOJBGDKFOYYGZ-JTQLQIEISA-N	-2	0	330.281	-0.082	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@@H]1CCCN(c2ccncn2)C1	ZINC001178135936	832831763	/nfs/dbraw/zinc/83/17/63/832831763.db2.gz	CGOJBGDKFOYYGZ-SNVBAGLBSA-N	-2	0	330.281	-0.082	20	0		EBADRL
CCC(CO)(CO)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189933060	834210653	/nfs/dbraw/zinc/21/06/53/834210653.db2.gz	HRQZIGDGLOPOCO-UHFFFAOYSA-N	-2	0	347.345	-0.505	20	0		EBADRL
O=P([O-])([O-])OCCNC(=S)NCCCN1CCOCC1	ZINC001199955910	835886520	/nfs/dbraw/zinc/88/65/20/835886520.db2.gz	PLVXOOAAXGWAPQ-UHFFFAOYSA-N	-2	0	327.343	-0.718	20	0		EBADRL
COc1cccc(C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001204781629	836528686	/nfs/dbraw/zinc/52/86/86/836528686.db2.gz	CMXATIIALYSHOH-LLVKDONJSA-N	-2	0	334.217	-0.109	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OC[C@@H]1COc2ccccc2O1)[C@@H](O)C(=O)[O-]	ZINC001206345674	836641740	/nfs/dbraw/zinc/64/17/40/836641740.db2.gz	GSMLRYIBOSCGPP-MWODSPESSA-N	-2	0	340.284	-0.094	20	0		EBADRL
CO[C@](C)(C(=O)[O-])C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1	ZINC001327946546	840555270	/nfs/dbraw/zinc/55/52/70/840555270.db2.gz	SIUXXYPGJZWCFH-VFZGTOFNSA-N	-2	0	342.348	-0.600	20	0		EBADRL
CC(=O)NCCN(C(=O)c1c[n-]n2c1nccc2=O)[C@@H](C)C(=O)[O-]	ZINC001602757183	971470226	/nfs/dbraw/zinc/47/02/26/971470226.db2.gz	DJTNBQUVRAMZDF-QMMMGPOBSA-N	-2	0	335.320	-0.926	20	0		EBADRL
CCN1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1=O	ZINC001570942516	949291950	/nfs/dbraw/zinc/29/19/50/949291950.db2.gz	NMSVKHMOAQAZHJ-UHFFFAOYSA-N	-2	0	343.351	-0.721	20	0		EBADRL
C[C@@H](O)[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1	ZINC001570946325	949528621	/nfs/dbraw/zinc/52/86/21/949528621.db2.gz	LMWZKJYWXLAOPY-LDYMZIIASA-N	-2	0	346.351	-0.803	20	0		EBADRL
O=C([O-])C(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1	ZINC001594828342	953957229	/nfs/dbraw/zinc/95/72/29/953957229.db2.gz	WMLVTDSEDOAVCP-UHFFFAOYSA-N	-2	0	344.327	-0.053	20	0		EBADRL
O=C([O-])C1(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CCSCC1	ZINC001594846348	954151464	/nfs/dbraw/zinc/15/14/64/954151464.db2.gz	XEJGCHPDXPAADQ-UHFFFAOYSA-N	-2	0	341.393	-0.392	20	0		EBADRL
COC(=O)C1CC2(C1)CN(S(=O)(=O)c1ncc[n-]1)C[C@@H]2C(=O)[O-]	ZINC001593826586	955107191	/nfs/dbraw/zinc/10/71/91/955107191.db2.gz	TYZOTNWCHFVEGG-XQVHRTOBSA-N	-2	0	343.361	-0.316	20	0		EBADRL
COC(=O)CCN(CC(=O)[O-])C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001593836371	955315364	/nfs/dbraw/zinc/31/53/64/955315364.db2.gz	XQOJCXFOJMOMOB-UHFFFAOYSA-N	-2	0	342.270	-0.080	20	0		EBADRL
COC(=O)CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCSCC1	ZINC001593852241	955470740	/nfs/dbraw/zinc/47/07/40/955470740.db2.gz	MEQTYMCAGXVWPA-UHFFFAOYSA-N	-2	0	325.364	-0.797	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCOCC2)c1	ZINC001594558023	955783535	/nfs/dbraw/zinc/78/35/35/955783535.db2.gz	SQUKBSQAOUAXSV-UHFFFAOYSA-N	-2	0	331.350	-0.504	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CCN(c3ncc(C(=O)[O-])cn3)C2)c1[O-]	ZINC001571200111	962355070	/nfs/dbraw/zinc/35/50/70/962355070.db2.gz	GKLUZUOJVSFQGC-VIFPVBQESA-N	-2	0	332.320	-0.079	20	0		EBADRL
O=C([O-])[C@H](CC(=O)OCc1ccccc1)NC(=O)CCc1nnn[n-]1	ZINC001605689454	974106924	/nfs/dbraw/zinc/10/69/24/974106924.db2.gz	ORDLSASYXBGIRY-NSHDSACASA-N	-2	0	347.331	-0.165	20	0		EBADRL
C[C@H](CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC001592636094	978617404	/nfs/dbraw/zinc/61/74/04/978617404.db2.gz	KDDPHKOPTSQYSX-SSDOTTSWSA-N	-2	0	326.309	-0.522	20	0		EBADRL
C[C@H](CS(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)[O-])CC2=O)C1)C(=O)[O-]	ZINC001592798238	979445808	/nfs/dbraw/zinc/44/58/08/979445808.db2.gz	MWSSDHPSPCMVJI-OPRDCNLKSA-N	-2	0	348.377	-0.956	20	0		EBADRL
CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001596911082	985911982	/nfs/dbraw/zinc/91/19/82/985911982.db2.gz	DTVCLKHPJXBSIL-QMMMGPOBSA-N	-2	0	328.325	-0.128	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1	ZINC001596968442	986182986	/nfs/dbraw/zinc/18/29/86/986182986.db2.gz	MYWIKHHZIMISKF-UHFFFAOYSA-N	-2	0	348.315	-0.012	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC001589450439	986840941	/nfs/dbraw/zinc/84/09/41/986840941.db2.gz	DCYWCHQSDQTYRG-SFYZADRCSA-N	-2	0	344.393	-0.210	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1	ZINC001589454143	986873937	/nfs/dbraw/zinc/87/39/37/986873937.db2.gz	LYQBGISVWWWDPL-RNFRBKRXSA-N	-2	0	327.322	-0.707	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC001589454476	986878927	/nfs/dbraw/zinc/87/89/27/986878927.db2.gz	OCMPXTRWHBLCTN-RQJHMYQMSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1	ZINC001589454821	986884901	/nfs/dbraw/zinc/88/49/01/986884901.db2.gz	RPCWVSHSLFAVAW-BQBZGAKWSA-N	-2	0	333.370	-0.403	20	0		EBADRL
C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001594656742	986909687	/nfs/dbraw/zinc/90/96/87/986909687.db2.gz	DELLUQJBGHYAEI-VXNVDRBHSA-N	-2	0	338.407	-0.124	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CN1C(=O)CCc2ccccc21	ZINC001589493054	987067728	/nfs/dbraw/zinc/06/77/28/987067728.db2.gz	BUAZIGUDCDEHKP-VIFPVBQESA-N	-2	0	340.357	-0.115	20	0		EBADRL
CCC(=O)C[C@H](NS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-]	ZINC001594695661	987117574	/nfs/dbraw/zinc/11/75/74/987117574.db2.gz	KXEYTYBPEUYPKP-LURJTMIESA-N	-2	0	336.347	-0.058	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)c1ccnc2ccnn21)C(=O)[O-]	ZINC001590799392	990628781	/nfs/dbraw/zinc/62/87/81/990628781.db2.gz	SVBADUHAKYNLBK-UHFFFAOYSA-N	-2	0	326.334	-0.100	20	0		EBADRL
C[S@](=O)(=NS(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])c1ccccc1	ZINC001599743585	991896724	/nfs/dbraw/zinc/89/67/24/991896724.db2.gz	IFOISMIIAMOXJA-GWNMQOMSSA-N	-2	0	336.391	-0.187	20	0		EBADRL
CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-]	ZINC001591594391	992816128	/nfs/dbraw/zinc/81/61/28/992816128.db2.gz	YGIMOANYXSREKN-NXEZZACHSA-N	-2	0	325.369	-0.100	20	0		EBADRL
CNC(=O)Cn1nc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1C	ZINC001598650251	994431352	/nfs/dbraw/zinc/43/13/52/994431352.db2.gz	BJCZKJWFPXIGLL-UHFFFAOYSA-N	-2	0	332.382	-0.210	20	0		EBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cn1	ZINC001598656730	994534726	/nfs/dbraw/zinc/53/47/26/994534726.db2.gz	RMGYQHXBVNDMGY-JGVFFNPUSA-N	-2	0	343.361	-0.390	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1	ZINC001599682706	995008816	/nfs/dbraw/zinc/00/88/16/995008816.db2.gz	DLBSNWBKNKHGTD-HXUWFJFHSA-N	-3	0	335.359	-0.667	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1	ZINC001598690777	995061923	/nfs/dbraw/zinc/06/19/23/995061923.db2.gz	ANSCOQPIZQYZJY-QMMMGPOBSA-N	-2	0	329.330	-0.065	20	0		EBADRL
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC001593762386	996429848	/nfs/dbraw/zinc/42/98/48/996429848.db2.gz	KZRYBFORZUWWDS-YMTOWFKASA-N	-2	0	328.321	-0.988	20	0		EBADRL
COC[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-])C(=O)[O-]	ZINC001599178585	996901483	/nfs/dbraw/zinc/90/14/83/996901483.db2.gz	WUFVBHRAPHOIBQ-YFKPBYRVSA-N	-2	0	338.725	-0.189	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@]1(C(=O)[O-])CCOC1	ZINC001599502299	997146749	/nfs/dbraw/zinc/14/67/49/997146749.db2.gz	BOSXARXFSGGSIB-ZDUSSCGKSA-N	-2	0	345.329	-0.085	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c[nH]1	ZINC001598920279	997551838	/nfs/dbraw/zinc/55/18/38/997551838.db2.gz	YCHXKQLQWCTLBG-UHFFFAOYSA-N	-2	0	332.334	-0.028	20	0		EBADRL
C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])CS2	ZINC001594086067	998008039	/nfs/dbraw/zinc/00/80/39/998008039.db2.gz	VCUHIWALNVWKQI-HQJQHLMTSA-N	-2	0	336.391	-0.639	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)n[nH]1	ZINC001598950653	998144284	/nfs/dbraw/zinc/14/42/84/998144284.db2.gz	DPBJAGQUYGGKFX-MADCSZMMSA-N	-2	0	331.350	-0.072	20	0		EBADRL
COc1cc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])ccc1C(=O)[O-]	ZINC001599458918	998236808	/nfs/dbraw/zinc/23/68/08/998236808.db2.gz	QXARKSFIQFWUMT-VIFPVBQESA-N	-2	0	333.318	-0.493	20	0		EBADRL
C[C@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc2N1C	ZINC001594130473	998342324	/nfs/dbraw/zinc/34/23/24/998342324.db2.gz	UFXDLWYORBMJEY-ZETCQYMHSA-N	-2	0	341.345	-0.392	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001594455415	999658107	/nfs/dbraw/zinc/65/81/07/999658107.db2.gz	SWMPPHWWNRMEDM-GMTAPVOTSA-N	-2	0	342.348	-0.742	20	0		EBADRL
C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@H]1C(=O)[O-]	ZINC001594473405	999706852	/nfs/dbraw/zinc/70/68/52/999706852.db2.gz	LXTIBHKFGFIWRE-NXEZZACHSA-N	-2	0	329.353	-0.280	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000275023471	304066076	/nfs/dbraw/zinc/06/60/76/304066076.db2.gz	SEDMKCKTAZLVIK-UHFFFAOYSA-N	-2	0	342.329	-0.868	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000274997720	304066089	/nfs/dbraw/zinc/06/60/89/304066089.db2.gz	NOMXFUMOZQNXIW-UHFFFAOYSA-N	-2	0	345.255	-0.395	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])C[C@H](C)O1	ZINC000319096831	378524357	/nfs/dbraw/zinc/52/43/57/378524357.db2.gz	VAHGSFGYRWQDHD-KXUCPTDWSA-N	-2	0	338.382	-0.362	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274883413	379720879	/nfs/dbraw/zinc/72/08/79/379720879.db2.gz	DJUNMVKZTLGOAC-RXMQYKEDSA-N	-2	0	325.730	-0.412	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(C)o1	ZINC000274903607	379723611	/nfs/dbraw/zinc/72/36/11/379723611.db2.gz	IVPQJQXFSNPPDQ-ZCFIWIBFSA-N	-2	0	335.290	-0.419	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000275008066	379731453	/nfs/dbraw/zinc/73/14/53/379731453.db2.gz	PJDZCNRSCPPWBP-ZCFIWIBFSA-N	-2	0	335.290	-0.480	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275087348	379735408	/nfs/dbraw/zinc/73/54/08/379735408.db2.gz	JSBXFLDRUPLISN-PRHODGIISA-N	-2	0	337.350	-0.623	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1CCCO1	ZINC000055590206	379863207	/nfs/dbraw/zinc/86/32/07/379863207.db2.gz	ZPGRLLOIKYFFKA-SNVBAGLBSA-N	-2	0	344.345	-0.118	20	0		EBADRL
COC(=O)c1c(C)cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000614313065	379919863	/nfs/dbraw/zinc/91/98/63/379919863.db2.gz	NJBABSZOONQWIY-QMMMGPOBSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COc1cc(C#N)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547559167	380145245	/nfs/dbraw/zinc/14/52/45/380145245.db2.gz	YZRQQLYFBZTAHH-UHFFFAOYSA-N	-2	0	328.302	-0.273	20	0		EBADRL
O=C([O-])[C@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C[C@H]1C(=O)[O-]	ZINC000547601269	380148480	/nfs/dbraw/zinc/14/84/80/380148480.db2.gz	AWKWAMDCJJWQLP-DTWKUNHWSA-N	-2	0	343.361	-0.375	20	0		EBADRL
COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000547881577	380168019	/nfs/dbraw/zinc/16/80/19/380168019.db2.gz	JBZYHNKGZAZUHD-VIFPVBQESA-N	-2	0	349.292	-0.182	20	0		EBADRL
Cc1cc(CS(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)on1	ZINC000547925082	380171560	/nfs/dbraw/zinc/17/15/60/380171560.db2.gz	PHIOSOTWTUGXQR-ZJUUUORDSA-N	-2	0	332.334	-0.080	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cn1	ZINC000548219534	380192501	/nfs/dbraw/zinc/19/25/01/380192501.db2.gz	NWGBPEXQQMGFKH-SSDOTTSWSA-N	-2	0	346.317	-0.678	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000548242226	380193239	/nfs/dbraw/zinc/19/32/39/380193239.db2.gz	LDAOYXJJQUMLFT-ZETCQYMHSA-N	-2	0	334.306	-0.602	20	0		EBADRL
COC(=O)CCCS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547616300	380152504	/nfs/dbraw/zinc/15/25/04/380152504.db2.gz	SPRBMPKJFVUBBO-LLVKDONJSA-N	-2	0	325.339	-0.575	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)C(=O)[O-]	ZINC000548533479	380213428	/nfs/dbraw/zinc/21/34/28/380213428.db2.gz	IZQRXTISYAJOGM-JTQLQIEISA-N	-2	0	340.313	-0.266	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])c1	ZINC000575241631	380735567	/nfs/dbraw/zinc/73/55/67/380735567.db2.gz	RQCXJGWMAVXTPC-MRVPVSSYSA-N	-2	0	331.350	-0.041	20	0		EBADRL
COc1ccc(OC)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000387481037	381163566	/nfs/dbraw/zinc/16/35/66/381163566.db2.gz	VJCDLAFRTCAYQY-UHFFFAOYSA-N	-2	0	333.318	-0.136	20	0		EBADRL
COCC[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000262298703	154223204	/nfs/dbraw/zinc/22/32/04/154223204.db2.gz	NCJMRDVNLNYQNW-ZBEGNZNMSA-N	-2	0	349.343	-0.039	20	0		EBADRL
C[C@@]1(c2cccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2)NC(=O)NC1=O	ZINC000262933521	154251398	/nfs/dbraw/zinc/25/13/98/154251398.db2.gz	KGENQGQWVSWARY-JKSUJKDBSA-N	-2	0	347.327	-0.285	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000274911084	154628434	/nfs/dbraw/zinc/62/84/34/154628434.db2.gz	KSTSDHWMANHRNT-SNVBAGLBSA-N	-2	0	342.329	-0.821	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000275036791	154635387	/nfs/dbraw/zinc/63/53/87/154635387.db2.gz	UVBZLCAVSIMPDK-ZCFIWIBFSA-N	-2	0	339.757	-0.164	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(F)cc1C	ZINC000296921274	155080412	/nfs/dbraw/zinc/08/04/12/155080412.db2.gz	KUOWZANTAVAGMX-SECBINFHSA-N	-2	0	335.309	-0.355	20	0		EBADRL
COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274950615	419324867	/nfs/dbraw/zinc/32/48/67/419324867.db2.gz	SNMVCGZOTGFOCM-ZETCQYMHSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COc1cccc(OC)c1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000274939467	295309667	/nfs/dbraw/zinc/30/96/67/295309667.db2.gz	GBHVWSVCROWWHY-UHFFFAOYSA-N	-2	0	333.318	-0.136	20	0		EBADRL
CCc1nn(C)c(CC)c1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000681555774	546307152	/nfs/dbraw/zinc/30/71/52/546307152.db2.gz	IEWAXJJUIJXMHJ-MRVPVSSYSA-N	-2	0	333.366	-0.249	20	0		EBADRL
Cn1c(CNC(=O)c2cnc3[nH]c(=O)nc([O-])c3c2)n[nH]c1=S	ZINC000729276509	582689722	/nfs/dbraw/zinc/68/97/22/582689722.db2.gz	GJWQIMJYQSZCDM-UHFFFAOYSA-N	-2	0	333.333	-0.217	20	0		EBADRL
O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1nnn[n-]1	ZINC000732157827	582845302	/nfs/dbraw/zinc/84/53/02/582845302.db2.gz	IHBKKPVJSQKWOD-UHFFFAOYSA-N	-2	0	331.361	-0.095	20	0		EBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1	ZINC000736155502	582922941	/nfs/dbraw/zinc/92/29/41/582922941.db2.gz	GQLLXGBPEVAOKX-BDAKNGLRSA-N	-2	0	346.386	-0.090	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000737362644	583006202	/nfs/dbraw/zinc/00/62/02/583006202.db2.gz	XRKUXAPZBLQGAE-BDAKNGLRSA-N	-2	0	341.345	-0.691	20	0		EBADRL
COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000737578634	583017023	/nfs/dbraw/zinc/01/70/23/583017023.db2.gz	PFCXTAVMJUSWFU-ZJUUUORDSA-N	-2	0	327.314	-0.001	20	0		EBADRL
CC[C@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000776540680	583405674	/nfs/dbraw/zinc/40/56/74/583405674.db2.gz	VQOIQSRINXOWQU-ZCFIWIBFSA-N	-2	0	342.333	-0.175	20	0		EBADRL
O=C(Nc1cc(F)cc(NC(=O)c2cc(=O)[nH][n-]2)c1)c1cc(=O)[nH][n-]1	ZINC000795091807	583587688	/nfs/dbraw/zinc/58/76/88/583587688.db2.gz	WTLLFVKPLJBIGX-UHFFFAOYSA-N	-2	0	346.278	-0.546	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1	ZINC000821089005	583784649	/nfs/dbraw/zinc/78/46/49/583784649.db2.gz	AFEXMVQKAOMWSD-UHFFFAOYSA-N	-2	0	343.321	-0.181	20	0		EBADRL
CCO[N-]C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821389115	583790520	/nfs/dbraw/zinc/79/05/20/583790520.db2.gz	GHVIPJUZABXGDV-MRVPVSSYSA-N	-2	0	340.365	-0.399	20	0		EBADRL
O=C([N-]S(=O)(=O)N1CCCC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823284377	583827675	/nfs/dbraw/zinc/82/76/75/583827675.db2.gz	FOJHFZWLDVIIAM-UHFFFAOYSA-N	-2	0	328.379	-0.001	20	0		EBADRL
CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550602	583832872	/nfs/dbraw/zinc/83/28/72/583832872.db2.gz	VCGTVNZIWNUXTE-GWCFXTLKSA-N	-2	0	347.393	-0.557	20	0		EBADRL
C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1	ZINC000825001332	583853750	/nfs/dbraw/zinc/85/37/50/583853750.db2.gz	ZGPVWJQLYQROCW-QMMMGPOBSA-N	-2	0	343.355	-0.809	20	0		EBADRL
C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000825817912	583867519	/nfs/dbraw/zinc/86/75/19/583867519.db2.gz	UGDCWKXZVGVESC-IUCAKERBSA-N	-2	0	334.336	-0.282	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000828904889	583948319	/nfs/dbraw/zinc/94/83/19/583948319.db2.gz	XXULRMVHUOIVNS-IUCAKERBSA-N	-2	0	340.423	-0.047	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](NC(=O)[O-])C1	ZINC000828963918	583949199	/nfs/dbraw/zinc/94/91/99/583949199.db2.gz	HGZBRECBIBEIGU-NXEZZACHSA-N	-2	0	337.398	-0.248	20	0		EBADRL
COc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c(C)nn1C	ZINC000829067433	583950512	/nfs/dbraw/zinc/95/05/12/583950512.db2.gz	WHUCFKWSCZCURT-MRVPVSSYSA-N	-2	0	346.365	-0.451	20	0		EBADRL
COc1c(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c(C)nn1C	ZINC000829067434	583950575	/nfs/dbraw/zinc/95/05/75/583950575.db2.gz	WHUCFKWSCZCURT-QMMMGPOBSA-N	-2	0	346.365	-0.451	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)CO[C@@H]2CCCN(C(=O)[O-])C2)n[n-]1	ZINC000829701076	583957394	/nfs/dbraw/zinc/95/73/94/583957394.db2.gz	XUXXKCGZQGEPTE-SSDOTTSWSA-N	-2	0	347.353	-0.694	20	0		EBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1	ZINC000831192311	583978906	/nfs/dbraw/zinc/97/89/06/583978906.db2.gz	GFDWVILROLIMDG-UHFFFAOYSA-N	-2	0	344.305	-0.148	20	0		EBADRL
COC(=O)Cn1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1	ZINC000831192126	583978942	/nfs/dbraw/zinc/97/89/42/583978942.db2.gz	BCGXFQRJDHRPSR-UHFFFAOYSA-N	-2	0	343.321	-0.862	20	0		EBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)c1cnccn1	ZINC000831414472	583982608	/nfs/dbraw/zinc/98/26/08/583982608.db2.gz	OPCLZKIKNOMSGM-QMMMGPOBSA-N	-2	0	346.390	-0.233	20	0		EBADRL
O=C([O-])N1CCC(n2cc(C(=O)NCc3n[nH]c(=O)[n-]3)nn2)CC1	ZINC000831731376	583990705	/nfs/dbraw/zinc/99/07/05/583990705.db2.gz	WULUNZYRWYTLFL-UHFFFAOYSA-N	-2	0	336.312	-0.653	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)C1	ZINC000831747649	583991117	/nfs/dbraw/zinc/99/11/17/583991117.db2.gz	JWANSNCOPXNVBV-QMMMGPOBSA-N	-2	0	349.752	-0.081	20	0		EBADRL
O=C([O-])N[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1	ZINC000832325678	583997333	/nfs/dbraw/zinc/99/73/33/583997333.db2.gz	MUEJDWCSMCLJBU-NXEZZACHSA-N	-2	0	335.382	-0.494	20	0		EBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(F)c1C(=O)[O-]	ZINC000833251562	584007839	/nfs/dbraw/zinc/00/78/39/584007839.db2.gz	BBPGLRIVMODQCK-UHFFFAOYSA-N	-2	0	334.281	-0.997	20	0		EBADRL
O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)s1	ZINC000833355616	584008964	/nfs/dbraw/zinc/00/89/64/584008964.db2.gz	NWIRLVITZUWTHV-LURJTMIESA-N	-2	0	332.359	-0.223	20	0		EBADRL
O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCNC(=O)C2)c1	ZINC000833355060	584009022	/nfs/dbraw/zinc/00/90/22/584009022.db2.gz	HHVLIGZOLHIIFU-QMMMGPOBSA-N	-2	0	326.330	-0.284	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])cc1	ZINC000833700561	584014196	/nfs/dbraw/zinc/01/41/96/584014196.db2.gz	MIJBZVUNPNSRRS-UHFFFAOYSA-N	-2	0	329.334	-0.491	20	0		EBADRL
O=C(CN1CCN(C(=O)[O-])CC1=O)[N-]S(=O)(=O)CC1CCC1	ZINC000834004512	584023505	/nfs/dbraw/zinc/02/35/05/584023505.db2.gz	BTNDGEMQEZLHPZ-UHFFFAOYSA-N	-2	0	333.366	-0.945	20	0		EBADRL
CNS(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849231835	584167238	/nfs/dbraw/zinc/16/72/38/584167238.db2.gz	HYKNZCNARWJYBE-RITPCOANSA-N	-2	0	333.288	-0.953	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863955122	584381061	/nfs/dbraw/zinc/38/10/61/584381061.db2.gz	ADFAKPUGTGLOLQ-UHFFFAOYSA-N	-2	0	331.306	-0.812	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC000863955365	584381166	/nfs/dbraw/zinc/38/11/66/584381166.db2.gz	JNQNTHXIZHGAKR-UHFFFAOYSA-N	-2	0	330.318	-0.207	20	0		EBADRL
O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cnn(CC2CC2)c1	ZINC000863959685	584381490	/nfs/dbraw/zinc/38/14/90/584381490.db2.gz	NSKPQPNSKCQGEH-UHFFFAOYSA-N	-2	0	333.391	-0.084	20	0		EBADRL
O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1)C1CC1	ZINC000863963777	584381863	/nfs/dbraw/zinc/38/18/63/584381863.db2.gz	GWDZVKBKYXOQBN-KOLCDFICSA-N	-2	0	343.361	-0.240	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC000863964419	584381876	/nfs/dbraw/zinc/38/18/76/584381876.db2.gz	JBSKGBXUZHLLDJ-UHFFFAOYSA-N	-2	0	332.334	-0.499	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)CCOCc1ccccc1	ZINC000863964348	584381953	/nfs/dbraw/zinc/38/19/53/584381953.db2.gz	RMEJSFPDZCJYGN-UHFFFAOYSA-N	-2	0	331.346	-0.250	20	0		EBADRL
COc1cc(CS(=O)(=O)[N-]C(=O)CSCC(=O)[O-])sn1	ZINC000863964153	584381959	/nfs/dbraw/zinc/38/19/59/584381959.db2.gz	FTLZQKNOCVQYSL-UHFFFAOYSA-N	-2	0	340.404	-0.085	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1	ZINC000863965504	584382148	/nfs/dbraw/zinc/38/21/48/584382148.db2.gz	YHCZWANUKQHLAJ-NSHDSACASA-N	-2	0	337.394	-0.015	20	0		EBADRL
NC(=O)c1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)on1	ZINC000863966054	584382369	/nfs/dbraw/zinc/38/23/69/584382369.db2.gz	RDCHXPJJJJWUKD-VIFPVBQESA-N	-2	0	345.333	-0.531	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1Cl	ZINC000740294908	597106739	/nfs/dbraw/zinc/10/67/39/597106739.db2.gz	IPMRUMQSZFDPOS-UHFFFAOYSA-N	-2	0	327.771	-0.304	20	0		EBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)CCCn2cccn2)CC1	ZINC000739243900	599912242	/nfs/dbraw/zinc/91/22/42/599912242.db2.gz	PKWFUTSZNRPOSC-UHFFFAOYSA-N	-2	0	344.393	-0.179	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)COc1ccc2c(c1)CCC(=O)N2	ZINC000739842214	600179582	/nfs/dbraw/zinc/17/95/82/600179582.db2.gz	CTQFJHNXIBHDLI-UHFFFAOYSA-N	-2	0	342.329	-0.519	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1	ZINC000739692604	600463716	/nfs/dbraw/zinc/46/37/16/600463716.db2.gz	SJAODBYBOLNLJQ-UHFFFAOYSA-N	-2	0	349.394	-0.589	20	0		EBADRL
O=C([O-])C[C@H]1CSCCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000739650556	600671162	/nfs/dbraw/zinc/67/11/62/600671162.db2.gz	DPBFXGUDWPSVSI-QMMMGPOBSA-N	-2	0	337.361	-0.510	20	0		EBADRL
CSCC[C@@H](NC(=O)[O-])C(=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC000740014781	602500395	/nfs/dbraw/zinc/50/03/95/602500395.db2.gz	BZUSCZXTLNDRDO-SFYZADRCSA-N	-2	0	330.370	-0.511	20	0		EBADRL
C[C@H](NC(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H]1CCCN(C(=O)[O-])C1	ZINC000738963646	602510682	/nfs/dbraw/zinc/51/06/82/602510682.db2.gz	DDCJQOKQLIFCLC-UWVGGRQHSA-N	-2	0	348.363	-0.034	20	0		EBADRL
CN(C[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1)C(=O)[O-]	ZINC000739652428	602513893	/nfs/dbraw/zinc/51/38/93/602513893.db2.gz	VMOHALRMDZFCQJ-VIFPVBQESA-N	-2	0	334.336	-0.471	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)C(=O)[O-]	ZINC000739625309	602621429	/nfs/dbraw/zinc/62/14/29/602621429.db2.gz	LAMPQUFHCIIMRZ-UHFFFAOYSA-N	-2	0	340.321	-0.923	20	0		EBADRL
CCC[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000739320383	602669677	/nfs/dbraw/zinc/66/96/77/602669677.db2.gz	PEMUNTNZGWMCTF-MRVPVSSYSA-N	-2	0	346.365	-0.635	20	0		EBADRL
O=C([O-])NCc1nc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cs1	ZINC000740682544	602999412	/nfs/dbraw/zinc/99/94/12/602999412.db2.gz	LUBKUVVWMWTBSD-ZCFIWIBFSA-N	-2	0	335.363	-0.241	20	0		EBADRL
CC(C)CCS(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000738821038	603144189	/nfs/dbraw/zinc/14/41/89/603144189.db2.gz	HQPUTJWKLGWONM-UHFFFAOYSA-N	-2	0	335.382	-0.699	20	0		EBADRL
O=C([O-])N1CCN(CC(=O)[N-]S(=O)(=O)c2ccccc2)C(=O)C1	ZINC000740367425	603144409	/nfs/dbraw/zinc/14/44/09/603144409.db2.gz	BFOWHRBXNGCCKX-UHFFFAOYSA-N	-2	0	341.345	-0.686	20	0		EBADRL
COCCN(CC(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)[O-]	ZINC000739821484	603171226	/nfs/dbraw/zinc/17/12/26/603171226.db2.gz	XTQCTNKZXFAWBI-SNVBAGLBSA-N	-2	0	338.382	-0.372	20	0		EBADRL
O=C([O-])CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000025501467	649935116	/nfs/dbraw/zinc/93/51/16/649935116.db2.gz	AFDKOMRPACLUPH-MRVPVSSYSA-N	-2	0	342.329	-0.513	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-]	ZINC000912980607	650217353	/nfs/dbraw/zinc/21/73/53/650217353.db2.gz	UPRYZPRCQUASMD-ZETCQYMHSA-N	-2	0	334.306	-0.982	20	0		EBADRL
O=C(c1ccc2oc(=O)nc-2[n-]1)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC000957314848	722193199	/nfs/dbraw/zinc/19/31/99/722193199.db2.gz	QOQWOJSZMQCBQI-UHFFFAOYSA-N	-2	0	345.319	-0.290	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)c1[O-]	ZINC001053775040	736007903	/nfs/dbraw/zinc/00/79/03/736007903.db2.gz	PDPAFHXJKJEHRD-QMMMGPOBSA-N	-2	0	349.351	-0.979	20	0		EBADRL
NNCc1cc(Cl)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001218440664	810493217	/nfs/dbraw/zinc/49/32/17/810493217.db2.gz	NGDQYFPBNHKTGE-MRVPVSSYSA-N	-2	0	340.656	-0.321	20	0		EBADRL
NC(=O)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223724145	811726873	/nfs/dbraw/zinc/72/68/73/811726873.db2.gz	OGYQARSHSMUXDC-MWLCHTKSSA-N	-2	0	325.273	-0.635	20	0		EBADRL
O=C(OCc1nc(-c2cccnc2)no1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224232055	811750280	/nfs/dbraw/zinc/75/02/80/811750280.db2.gz	GCAOBSSVRJGZBK-MRVPVSSYSA-N	-2	0	345.204	-0.355	20	0		EBADRL
CC(C)(C)OC(=O)/C=C/COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001224998520	811787625	/nfs/dbraw/zinc/78/76/25/811787625.db2.gz	QYTIEYBNKLSATL-PFMFZMMSSA-N	-2	0	332.305	-0.036	20	0		EBADRL
NC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001225318448	811802907	/nfs/dbraw/zinc/80/29/07/811802907.db2.gz	APACXLWLWQOEGK-JOYOIKCWSA-N	-2	0	325.273	-0.844	20	0		EBADRL
CN1C(=O)Cc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21	ZINC001225428744	811808793	/nfs/dbraw/zinc/80/87/93/811808793.db2.gz	YJKGYCBMRFGILQ-RNCFNFMXSA-N	-2	0	337.284	-0.353	20	0		EBADRL
Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2c1NC(=O)C2	ZINC001225412447	811809232	/nfs/dbraw/zinc/80/92/32/811809232.db2.gz	XWZXJQRMLOPSLT-NOZJJQNGSA-N	-2	0	337.284	-0.069	20	0		EBADRL
O=c1ncc(F)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001225880834	811834881	/nfs/dbraw/zinc/83/48/81/811834881.db2.gz	BAWLWYLUSCTNMJ-QMMMGPOBSA-N	-2	0	337.329	-0.711	20	0		EBADRL
Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(=O)n1CC1CC1	ZINC001225867762	811834928	/nfs/dbraw/zinc/83/49/28/811834928.db2.gz	SUXAJNPEICLJRV-LLVKDONJSA-N	-2	0	347.260	-0.058	20	0		EBADRL
CS(=O)(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001225981769	811840962	/nfs/dbraw/zinc/84/09/62/811840962.db2.gz	OXKVGQHNORPHIH-MWLCHTKSSA-N	-2	0	346.313	-0.468	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncncc1Br)[C@@H](O)C(=O)[O-]	ZINC001226567730	811871672	/nfs/dbraw/zinc/87/16/72/811871672.db2.gz	INXLUMIURJAHJA-CLZZGJSISA-N	-2	0	349.093	-0.319	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1NC(=O)CO2)[C@H](O)C(=O)[O-]	ZINC001226633826	811875389	/nfs/dbraw/zinc/87/53/89/811875389.db2.gz	KLJURQDGJNSRAX-QTTZVWFDSA-N	-2	0	339.256	-0.541	20	0		EBADRL
CCOC(=O)c1ccncc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226692411	811878208	/nfs/dbraw/zinc/87/82/08/811878208.db2.gz	MQIYANWBTHMNBA-GZMMTYOYSA-N	-2	0	341.272	-0.300	20	0		EBADRL
CCOC(=O)c1ccncc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226692415	811878348	/nfs/dbraw/zinc/87/83/48/811878348.db2.gz	MQIYANWBTHMNBA-KWQFWETISA-N	-2	0	341.272	-0.300	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001227015495	811896326	/nfs/dbraw/zinc/89/63/26/811896326.db2.gz	OOLWBRUGMKDMTH-WRWORJQWSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COc1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001227000530	811896354	/nfs/dbraw/zinc/89/63/54/811896354.db2.gz	MIGDFTCYYWDJIB-SECBINFHSA-N	-2	0	349.365	-0.842	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001227561570	811928077	/nfs/dbraw/zinc/92/80/77/811928077.db2.gz	MLYBQVJBSNIKPT-KOLCDFICSA-N	-2	0	326.257	-0.085	20	0		EBADRL
C[C@@H]1OCc2c1nc(=O)[n-]c2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227717123	811940341	/nfs/dbraw/zinc/94/03/41/811940341.db2.gz	XHSXCRXFDCILGN-UJURSFKZSA-N	-3	0	336.193	-0.851	20	0		EBADRL
Cc1noc2ncnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12	ZINC001228308107	811974990	/nfs/dbraw/zinc/97/49/90/811974990.db2.gz	VKBABZANAWDKFY-XRGYYRRGSA-N	-2	0	325.233	-0.632	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(-c2cccnc2)n1)[C@@H](O)C(=O)[O-]	ZINC001228697063	811994103	/nfs/dbraw/zinc/99/41/03/811994103.db2.gz	GHRYKFKFTQPGGA-IONNQARKSA-N	-2	0	336.260	-0.692	20	0		EBADRL
CCOC(=O)c1cnoc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228720193	811995354	/nfs/dbraw/zinc/99/53/54/811995354.db2.gz	XXGVUVIKMUQRDP-XRGYYRRGSA-N	-2	0	331.233	-0.707	20	0		EBADRL
COC(=O)c1nc(C)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228928975	812005861	/nfs/dbraw/zinc/00/58/61/812005861.db2.gz	DLKSCSZSQSRZPF-RDDDGLTNSA-N	-2	0	341.272	-0.382	20	0		EBADRL
COC(=O)c1nc(C)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228930512	812006087	/nfs/dbraw/zinc/00/60/87/812006087.db2.gz	STBYSKSRLSUDOF-SSDOTTSWSA-N	-2	0	335.205	-0.448	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1CCNC2=O)[C@H](O)C(=O)[O-]	ZINC001229521624	812038309	/nfs/dbraw/zinc/03/83/09/812038309.db2.gz	KKDOTGDSSBDTSQ-SKDRFNHKSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1CCNC2=O)[C@@H](O)C(=O)[O-]	ZINC001229521623	812038548	/nfs/dbraw/zinc/03/85/48/812038548.db2.gz	KKDOTGDSSBDTSQ-JOYOIKCWSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(C(F)(F)F)cnn1)[C@H](O)C(=O)[O-]	ZINC001229746317	812054993	/nfs/dbraw/zinc/05/49/93/812054993.db2.gz	MOJXCVPRWZHYIE-XRGYYRRGSA-N	-2	0	338.194	-0.063	20	0		EBADRL
C[C@H](CON)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230145288	812080821	/nfs/dbraw/zinc/08/08/21/812080821.db2.gz	XYUSUPRXDSQMMA-RXMQYKEDSA-N	-2	0	343.335	-0.457	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2cccc(F)c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001231074730	812271447	/nfs/dbraw/zinc/27/14/47/812271447.db2.gz	RWZNEFRZEVHIOT-SSDOTTSWSA-N	-3	0	348.179	-0.150	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(cc[nH]c2=O)c1)[C@@H](O)C(=O)[O-]	ZINC001233725567	812336048	/nfs/dbraw/zinc/33/60/48/812336048.db2.gz	OYNWHMBETCEEEE-CMPLNLGQSA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2cncn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001233920537	812369377	/nfs/dbraw/zinc/36/93/77/812369377.db2.gz	HMKUIVRCUDJNKB-ZYHUDNBSSA-N	-2	0	335.272	-0.291	20	0		EBADRL
COC(=O)c1ccc(C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1	ZINC001234420424	812425228	/nfs/dbraw/zinc/42/52/28/812425228.db2.gz	SNQKYVAAVDWREV-MRVPVSSYSA-N	-2	0	335.205	-0.448	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nccc(-c2ccncc2)n1)[C@H](O)C(=O)[O-]	ZINC001234674482	812447922	/nfs/dbraw/zinc/44/79/22/812447922.db2.gz	KXPWXNLKXUSEEJ-CABZTGNLSA-N	-2	0	347.283	-0.020	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1C(=O)NCC2)[C@@H](O)C(=O)[O-]	ZINC001234654110	812447995	/nfs/dbraw/zinc/44/79/95/812447995.db2.gz	MNYALWARQAGPES-PRHODGIISA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=c1[nH]c2ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc2o1	ZINC001259386719	812809830	/nfs/dbraw/zinc/80/98/30/812809830.db2.gz	FVDJFVFFDJIAGI-UHFFFAOYSA-N	-2	0	338.234	-0.079	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)ccc1O	ZINC001260401066	812831468	/nfs/dbraw/zinc/83/14/68/812831468.db2.gz	UPRBRYOKMZBTEC-MRVPVSSYSA-N	-2	0	332.315	-0.322	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])C1CCN(c2ncccn2)CC1	ZINC001177129558	832757925	/nfs/dbraw/zinc/75/79/25/832757925.db2.gz	CJUBICGEGQORSY-UHFFFAOYSA-N	-2	0	330.281	-0.082	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@@H](O)[C@H](CO)C1	ZINC001189872064	834203741	/nfs/dbraw/zinc/20/37/41/834203741.db2.gz	SPWODGSMKMFWQE-GXSJLCMTSA-N	-2	0	331.261	-0.027	20	0		EBADRL
NC(=O)N1CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])CC1	ZINC001189877606	834204532	/nfs/dbraw/zinc/20/45/32/834204532.db2.gz	WAFZDUUXFBXOOT-UHFFFAOYSA-N	-2	0	329.249	-0.005	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC[C@@H]2CNC(=O)O2)cc(S(=O)(=O)[O-])c1	ZINC001189941206	834212020	/nfs/dbraw/zinc/21/20/20/834212020.db2.gz	DPKFWKMPKOWNJM-MRVPVSSYSA-N	-2	0	344.301	-0.530	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cc(CN2CCOCC2)on1	ZINC001190209680	834245389	/nfs/dbraw/zinc/24/53/89/834245389.db2.gz	ILFRGJVKXBPWSK-UHFFFAOYSA-N	-2	0	335.253	-0.654	20	0		EBADRL
O=C([O-])COc1ccc(S(=O)(=O)NCC[P@](=O)([O-])O)cc1	ZINC001192741245	834723853	/nfs/dbraw/zinc/72/38/53/834723853.db2.gz	XYFNOJSCJSDCRD-UHFFFAOYSA-N	-2	0	339.262	-0.394	20	0		EBADRL
COc1cccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001204782779	836528769	/nfs/dbraw/zinc/52/87/69/836528769.db2.gz	VMBSXPPNHNSKCJ-GWCFXTLKSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)[C@@H](O)C(=O)[O-]	ZINC001205688636	836586333	/nfs/dbraw/zinc/58/63/33/836586333.db2.gz	CBMAFCQKLVFAHJ-GXSJLCMTSA-N	-3	0	326.257	-0.036	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)Oc1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001209969313	837221053	/nfs/dbraw/zinc/22/10/53/837221053.db2.gz	QPNBZTBXIDQRCZ-JOYOIKCWSA-N	-2	0	326.257	-0.328	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)c1ccccc1O)[C@@H](O)C(=O)[O-]	ZINC001210591281	837302991	/nfs/dbraw/zinc/30/29/91/837302991.db2.gz	DZUJLHHBVYVRAO-QPUJVOFHSA-N	-2	0	326.257	-0.346	20	0		EBADRL
C[C@H]1C(=O)N(C)CN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001575863758	949357047	/nfs/dbraw/zinc/35/70/47/949357047.db2.gz	DVSWHWWTADPWMM-ZETCQYMHSA-N	-2	0	329.324	-0.765	20	0		EBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cc1nnc[nH]1	ZINC001594888373	954484447	/nfs/dbraw/zinc/48/44/47/954484447.db2.gz	CCOVJRZSPDPWOQ-RCOVLWMOSA-N	-2	0	349.269	-0.530	20	0		EBADRL
COC(=O)CC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001593829256	955134486	/nfs/dbraw/zinc/13/44/86/955134486.db2.gz	FPZVLDYLDDGNNE-RCOVLWMOSA-N	-2	0	340.254	-0.328	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)cc1=O	ZINC001603054079	972118725	/nfs/dbraw/zinc/11/87/25/972118725.db2.gz	KLZVCVUTPKIXKI-BDJLRTHQSA-N	-2	0	337.376	-0.066	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC001593897570	955834549	/nfs/dbraw/zinc/83/45/49/955834549.db2.gz	IFMDUVHJAJJWFF-SNVBAGLBSA-N	-2	0	336.347	-0.548	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)COCc2ccncc2)on1	ZINC001594701605	956805493	/nfs/dbraw/zinc/80/54/93/956805493.db2.gz	LWXMKWPLBDVDBG-UHFFFAOYSA-N	-2	0	341.301	-0.211	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC001594487267	959669445	/nfs/dbraw/zinc/66/94/45/959669445.db2.gz	LGPJFJIQAGGQQN-UHFFFAOYSA-N	-2	0	325.306	-0.665	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)[N-]C[C@@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001604948113	972516968	/nfs/dbraw/zinc/51/69/68/972516968.db2.gz	GAEJYKOJYDEKTA-YUCVTWSNSA-N	-2	0	340.423	-0.039	20	0		EBADRL
Cn1ncc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])c1C(F)(F)F	ZINC001574473418	961625210	/nfs/dbraw/zinc/62/52/10/961625210.db2.gz	QBBRFYPZTZNQHU-MRVPVSSYSA-N	-2	0	331.272	-0.447	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001574169809	962758915	/nfs/dbraw/zinc/75/89/15/962758915.db2.gz	KXHFRHSXOVRQHU-NXEZZACHSA-N	-2	0	339.352	-0.703	20	0		EBADRL
O=C([O-])[C@H]1COCCN1S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000316738608	967981531	/nfs/dbraw/zinc/98/15/31/967981531.db2.gz	KJCGRQBKCBSAEA-SECBINFHSA-N	-2	0	332.290	-0.226	20	0		EBADRL
Cc1n[nH]nc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001605394387	973370711	/nfs/dbraw/zinc/37/07/11/973370711.db2.gz	JSSZCHPNPXUHDT-HTRCEHHLSA-N	-2	0	349.269	-0.151	20	0		EBADRL
O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1	ZINC001606350686	973793948	/nfs/dbraw/zinc/79/39/48/973793948.db2.gz	UWMNSOWFMOISHF-VIFPVBQESA-N	-2	0	341.349	-0.074	20	0		EBADRL
O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001605680230	974093708	/nfs/dbraw/zinc/09/37/08/974093708.db2.gz	IGDZMVBIDJEDBM-SNVBAGLBSA-N	-2	0	335.320	-0.323	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)Cc1ccccc1)C(=O)[O-]	ZINC001592801158	979464038	/nfs/dbraw/zinc/46/40/38/979464038.db2.gz	YIYLQELYLIXLLA-JLLWLGSASA-N	-2	0	345.373	-0.317	20	0		EBADRL
CCCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])C1	ZINC001595523693	981349175	/nfs/dbraw/zinc/34/91/75/981349175.db2.gz	PCBKQAHUGSVZAM-JTQLQIEISA-N	-2	0	334.394	-0.054	20	0		EBADRL
CCN1CCO[C@@H](C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)C1	ZINC001596442574	984138364	/nfs/dbraw/zinc/13/83/64/984138364.db2.gz	NGGWYNAQOYVPEE-LZUBYRBGSA-N	-2	0	340.376	-0.269	20	0		EBADRL
C[C@@H]1CO[C@@H](C)CN1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001594531991	986128275	/nfs/dbraw/zinc/12/82/75/986128275.db2.gz	RPGSYMAJDWPMIK-BDAKNGLRSA-N	-2	0	333.366	-0.240	20	0		EBADRL
C[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n1nnnc1C(C)(C)C	ZINC001589424034	986686243	/nfs/dbraw/zinc/68/62/43/986686243.db2.gz	QOYQLNRDYYWNPP-BQBZGAKWSA-N	-2	0	333.370	-0.549	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC001589450438	986840661	/nfs/dbraw/zinc/84/06/61/986840661.db2.gz	DCYWCHQSDQTYRG-JGVFFNPUSA-N	-2	0	344.393	-0.210	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2	ZINC001589450715	986841654	/nfs/dbraw/zinc/84/16/54/986841654.db2.gz	FPAQJAQSQIVFSO-HTQZYQBOSA-N	-2	0	331.350	-0.166	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1nc2ncccn2n1	ZINC001589452333	986848182	/nfs/dbraw/zinc/84/81/82/986848182.db2.gz	LBAUUGIGKPEYCU-JGVFFNPUSA-N	-2	0	341.349	-0.778	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O	ZINC001589453558	986862547	/nfs/dbraw/zinc/86/25/47/986862547.db2.gz	QHFJGMBBTXKYNX-IUCAKERBSA-N	-2	0	331.350	-0.811	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cnn2cccnc12	ZINC001589454065	986872896	/nfs/dbraw/zinc/87/28/96/986872896.db2.gz	KYCRRMQBPSRDBP-HTQZYQBOSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(N)=O)C1	ZINC001589454439	986879107	/nfs/dbraw/zinc/87/91/07/986879107.db2.gz	WBCNRBCWKVZTBO-QEYWKRMJSA-N	-2	0	334.394	-0.167	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cnn(C)c1	ZINC001589490333	987053567	/nfs/dbraw/zinc/05/35/67/987053567.db2.gz	AINOIWHCFMPJKQ-ZETCQYMHSA-N	-2	0	341.349	-0.647	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1	ZINC001589492672	987065021	/nfs/dbraw/zinc/06/50/21/987065021.db2.gz	XUINGZSAUNPKPS-SECBINFHSA-N	-2	0	343.361	-0.549	20	0		EBADRL
CCC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-]	ZINC001594696036	987118936	/nfs/dbraw/zinc/11/89/36/987118936.db2.gz	OKIGHWSSZGSWAF-SECBINFHSA-N	-2	0	332.334	-0.176	20	0		EBADRL
CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001597210073	987129207	/nfs/dbraw/zinc/12/92/07/987129207.db2.gz	MWCWORDIXFEUTG-LURJTMIESA-N	-2	0	326.352	-0.526	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1	ZINC001599683318	990947024	/nfs/dbraw/zinc/94/70/24/990947024.db2.gz	LTKVDJQBAYHUBC-HXNGOWOSSA-N	-3	0	349.386	-0.278	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](O)C[C@H](C(=O)[O-])C1	ZINC001599762869	992146294	/nfs/dbraw/zinc/14/62/94/992146294.db2.gz	ZSVOYTYPDHZEFE-UWVGGRQHSA-N	-2	0	342.373	-0.034	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](O)C1	ZINC001599762871	992146345	/nfs/dbraw/zinc/14/63/45/992146345.db2.gz	ZSVOYTYPDHZEFE-ZJUUUORDSA-N	-2	0	342.373	-0.034	20	0		EBADRL
CS(=O)(=O)c1cc(NC(=O)COCC(=O)[O-])cc(C(=O)[O-])c1	ZINC001599765595	992179437	/nfs/dbraw/zinc/17/94/37/992179437.db2.gz	TZWZPSBAAGCBIS-UHFFFAOYSA-N	-2	0	331.302	-0.172	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1=O	ZINC001598552942	993024526	/nfs/dbraw/zinc/02/45/26/993024526.db2.gz	PJERGBOKILZUIO-UHFFFAOYSA-N	-2	0	331.281	-0.389	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@]2(C(=O)[O-])CCOC2)cc1C(=O)[O-]	ZINC001599613051	993980932	/nfs/dbraw/zinc/98/09/32/993980932.db2.gz	QGBRFIZEDQDOMO-CYBMUJFWSA-N	-2	0	345.329	-0.085	20	0		EBADRL
C[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)C(C)(C)C(=O)[O-]	ZINC001593541596	995609456	/nfs/dbraw/zinc/60/94/56/995609456.db2.gz	HIBDXPXIETUYKN-SSDOTTSWSA-N	-2	0	336.304	-0.317	20	0		EBADRL
C[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C1	ZINC001593778864	996487718	/nfs/dbraw/zinc/48/77/18/996487718.db2.gz	OZOUTKXPZSOEAI-LBPRGKRZSA-N	-2	0	331.350	-0.157	20	0		EBADRL
COC(=O)C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCOC1	ZINC001598844164	996550192	/nfs/dbraw/zinc/55/01/92/996550192.db2.gz	ZXBGDLRQLLQRDJ-LLVKDONJSA-N	-2	0	334.306	-0.627	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)[O-]	ZINC001598868930	996727236	/nfs/dbraw/zinc/72/72/36/996727236.db2.gz	XSIXWBAANVZNCV-SECBINFHSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1	ZINC001599280997	996895737	/nfs/dbraw/zinc/89/57/37/996895737.db2.gz	LVYYHBBVQWPZKO-JTQLQIEISA-N	-2	0	333.318	-0.745	20	0		EBADRL
COc1ccc(C(=O)[O-])c(S(=O)(=O)[N-]N2CC(=O)N(C)C2=O)c1	ZINC001599494977	997006456	/nfs/dbraw/zinc/00/64/56/997006456.db2.gz	QNHPMXPYDPMNJG-UHFFFAOYSA-N	-2	0	343.317	-0.519	20	0		EBADRL
CO[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](C(=O)[O-])C1	ZINC001599118369	997694337	/nfs/dbraw/zinc/69/43/37/997694337.db2.gz	YKNQNBIGDBHGLB-WPRPVWTQSA-N	-2	0	335.320	-0.838	20	0		EBADRL
CO[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@](C)(C(=O)[O-])C1	ZINC001599136208	998049015	/nfs/dbraw/zinc/04/90/15/998049015.db2.gz	ARSBPYWDPDMBSH-JMCQJSRRSA-N	-2	0	332.334	-0.034	20	0		EBADRL
COCCOc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])ccn1	ZINC001599254395	998286714	/nfs/dbraw/zinc/28/67/14/998286714.db2.gz	ZXSHOSWPANRIJF-MRVPVSSYSA-N	-2	0	332.334	-0.361	20	0		EBADRL
COC[C@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-]	ZINC001599169841	998596225	/nfs/dbraw/zinc/59/62/25/998596225.db2.gz	JDOXPSKJNKZQTD-JTQLQIEISA-N	-2	0	337.357	-0.099	20	0		EBADRL
COC(=O)c1nscc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-]	ZINC001599016998	998947178	/nfs/dbraw/zinc/94/71/78/998947178.db2.gz	DETSYJOQKFXCNJ-UHFFFAOYSA-N	-2	0	330.290	-0.072	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1cnn(C)c1	ZINC001599028282	999031872	/nfs/dbraw/zinc/03/18/72/999031872.db2.gz	KVANGJKRUPMXCS-MRTMQBJTSA-N	-2	0	333.366	-0.337	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CC[C@@H]1C(=O)[O-]	ZINC001594453724	999655547	/nfs/dbraw/zinc/65/55/47/999655547.db2.gz	IPDIRHSXDYBSGC-MMWGEVLESA-N	-2	0	326.349	-0.123	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC[C@@H]1C(=O)[O-]	ZINC001594455417	999658184	/nfs/dbraw/zinc/65/81/84/999658184.db2.gz	SWMPPHWWNRMEDM-MXWKQRLJSA-N	-2	0	342.348	-0.742	20	0		EBADRL
Cc1cc(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC001365157245	1132563123	/nfs/dbraw/zinc/56/31/23/1132563123.db2.gz	DQUHQSIOISLLFY-VHSXEESVSA-N	-2	0	348.359	-0.193	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn(C2CCOCC2)c1	ZINC000274953813	304066091	/nfs/dbraw/zinc/06/60/91/304066091.db2.gz	IGHRQQUOPFTVSL-UHFFFAOYSA-N	-2	0	347.349	-0.606	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000108444208	377401116	/nfs/dbraw/zinc/40/11/16/377401116.db2.gz	FWDNEXAWPRHRDC-YFKPBYRVSA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1C	ZINC000274917295	379723014	/nfs/dbraw/zinc/72/30/14/379723014.db2.gz	AIAFOJKGWXCQCT-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274955537	379727835	/nfs/dbraw/zinc/72/78/35/379727835.db2.gz	IMWPQRSXRGOJEH-SECBINFHSA-N	-2	0	344.345	-0.500	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274986074	379729554	/nfs/dbraw/zinc/72/95/54/379729554.db2.gz	MDCFZRPSQLDQIU-LURJTMIESA-N	-2	0	335.290	-0.480	20	0		EBADRL
CCn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000275068481	379733947	/nfs/dbraw/zinc/73/39/47/379733947.db2.gz	GQBXXUKHZQCEQC-UWVGGRQHSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@@H](CC(C)(C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-]	ZINC000275302260	379748303	/nfs/dbraw/zinc/74/83/03/379748303.db2.gz	VQBYJDUCBTYVEZ-QMMMGPOBSA-N	-2	0	347.393	-0.748	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C[C@H]1C(=O)[O-]	ZINC000547601271	380149002	/nfs/dbraw/zinc/14/90/02/380149002.db2.gz	AWKWAMDCJJWQLP-RKDXNWHRSA-N	-2	0	343.361	-0.375	20	0		EBADRL
C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CCN1C[C@H](C(=O)[O-])CC1=O	ZINC000547886786	380168455	/nfs/dbraw/zinc/16/84/55/380168455.db2.gz	HTWANEDXBHCHEW-NKWVEPMBSA-N	-2	0	332.300	-0.210	20	0		EBADRL
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C[C@@H]1CN(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])C[C@@H](C)O1	ZINC000547935386	380173575	/nfs/dbraw/zinc/17/35/75/380173575.db2.gz	BYNWLVKNDMKYEF-LNLATYFQSA-N	-2	0	338.382	-0.504	20	0		EBADRL
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COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cn1C	ZINC000548243194	380194180	/nfs/dbraw/zinc/19/41/80/380194180.db2.gz	PLCYRFKXPXKBMJ-QMMMGPOBSA-N	-2	0	348.333	-0.592	20	0		EBADRL
C[C@](CNS(=O)(=O)c1cnc2n1CCC2)(CC(=O)[O-])C(=O)[O-]	ZINC000548261381	380195369	/nfs/dbraw/zinc/19/53/69/380195369.db2.gz	FASZQNKURZPQEA-GFCCVEGCSA-N	-2	0	331.350	-0.327	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000287450589	380354296	/nfs/dbraw/zinc/35/42/96/380354296.db2.gz	IATGLVPEOFBYLS-BDAKNGLRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
COC(=O)c1ccc(CS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274903558	380565391	/nfs/dbraw/zinc/56/53/91/380565391.db2.gz	IROLDFRGQHQZHO-JTQLQIEISA-N	-2	0	345.329	-0.180	20	0		EBADRL
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NC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-]	ZINC000037908957	381189129	/nfs/dbraw/zinc/18/91/29/381189129.db2.gz	XVWLUYRTYQXDDL-ZETCQYMHSA-N	-2	0	326.252	-0.289	20	0		EBADRL
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COC(=O)Cc1cccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000290459382	155004574	/nfs/dbraw/zinc/00/45/74/155004574.db2.gz	DJTQMDWFCKCSII-UHFFFAOYSA-N	-2	0	345.329	-0.438	20	0		EBADRL
Cc1c(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cnn1C	ZINC000291900052	155025238	/nfs/dbraw/zinc/02/52/38/155025238.db2.gz	QIAIMOUNIVNBDX-LBPRGKRZSA-N	-2	0	331.350	-0.331	20	0		EBADRL
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CCCc1n[n-]c(=NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)s1	ZINC000424473777	265063945	/nfs/dbraw/zinc/06/39/45/265063945.db2.gz	RCHHCQYFTZMJAA-SSDOTTSWSA-N	-2	0	348.406	-0.372	20	0		EBADRL
COc1cc(OC)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000274935069	295010901	/nfs/dbraw/zinc/01/09/01/295010901.db2.gz	FBLRNNJTNIKLGW-UHFFFAOYSA-N	-2	0	333.318	-0.136	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000319635875	545733245	/nfs/dbraw/zinc/73/32/45/545733245.db2.gz	BKWKUMSYVFBMEY-SNVBAGLBSA-N	-2	0	344.345	-0.358	20	0		EBADRL
Cc1noc2ncc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000681578271	546307753	/nfs/dbraw/zinc/30/77/53/546307753.db2.gz	OBIQAVOMLIWPBG-SSDOTTSWSA-N	-2	0	343.317	-0.015	20	0		EBADRL
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CCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000275286055	546339673	/nfs/dbraw/zinc/33/96/73/546339673.db2.gz	LONXDYUXQXUIIV-UHFFFAOYSA-N	-2	0	328.306	-0.469	20	0		EBADRL
CC(C)(C)N1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1=O	ZINC000736261105	582927171	/nfs/dbraw/zinc/92/71/71/582927171.db2.gz	MUULFHKBTOJLLY-VIFPVBQESA-N	-2	0	334.394	-0.056	20	0		EBADRL
CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1nnn[n-]1	ZINC000736487213	582935572	/nfs/dbraw/zinc/93/55/72/582935572.db2.gz	INCWYABVNSCWJU-UHFFFAOYSA-N	-2	0	348.319	-0.060	20	0		EBADRL
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CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000759582259	583215414	/nfs/dbraw/zinc/21/54/14/583215414.db2.gz	XCLFZDPUBPAHBM-UHFFFAOYSA-N	-2	0	340.283	-0.261	20	0		EBADRL
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CN(CCC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000820580121	583775829	/nfs/dbraw/zinc/77/58/29/583775829.db2.gz	UFQOCUITIFVQHD-UHFFFAOYSA-N	-2	0	344.345	-0.404	20	0		EBADRL
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CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550699	583832859	/nfs/dbraw/zinc/83/28/59/583832859.db2.gz	WXEFTKSRWOHZDL-WDEREUQCSA-N	-2	0	347.393	-0.557	20	0		EBADRL
C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000825220134	583856585	/nfs/dbraw/zinc/85/65/85/583856585.db2.gz	RKENDILWCHOVDY-NXEZZACHSA-N	-2	0	348.363	-0.034	20	0		EBADRL
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000827007107	583913901	/nfs/dbraw/zinc/91/39/01/583913901.db2.gz	SIJIUBXSDRYZLE-JTQLQIEISA-N	-2	0	337.336	-0.592	20	0		EBADRL
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827236893	583917184	/nfs/dbraw/zinc/91/71/84/583917184.db2.gz	LQVMBNSYWCWQIS-SECBINFHSA-N	-2	0	335.382	-0.509	20	0		EBADRL
CCOCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-]	ZINC000827406023	583920829	/nfs/dbraw/zinc/92/08/29/583920829.db2.gz	XXMSKILPGXYZSX-VIFPVBQESA-N	-2	0	340.423	-0.046	20	0		EBADRL
COC[C@@H](C)S(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000828903018	583948190	/nfs/dbraw/zinc/94/81/90/583948190.db2.gz	JWXRAZGWOJDCDI-ZJUUUORDSA-N	-2	0	338.382	-0.374	20	0		EBADRL
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COC(=O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000831215227	583979503	/nfs/dbraw/zinc/97/95/03/583979503.db2.gz	MQKZOCUOZCDXJY-WHFBIAKZSA-N	-2	0	346.233	-0.476	20	0		EBADRL
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CC(C)CS(=O)(=O)[N-]C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)[O-]	ZINC000833796648	584016469	/nfs/dbraw/zinc/01/64/69/584016469.db2.gz	GUXLNMUZVZFFIG-MRVPVSSYSA-N	-2	0	344.411	-0.841	20	0		EBADRL
CC(C)CS(=O)(=O)[N-]C(=O)[C@H](CCS(C)(=O)=O)NC(=O)[O-]	ZINC000833796649	584016503	/nfs/dbraw/zinc/01/65/03/584016503.db2.gz	GUXLNMUZVZFFIG-QMMMGPOBSA-N	-2	0	344.411	-0.841	20	0		EBADRL
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CCO[N-]C(=O)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S	ZINC000846497603	584126945	/nfs/dbraw/zinc/12/69/45/584126945.db2.gz	VLLQQYMRIYKGOQ-UHFFFAOYSA-N	-2	0	336.373	-0.131	20	0		EBADRL
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COC[C@H](CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1)OC	ZINC000863964549	584382171	/nfs/dbraw/zinc/38/21/71/584382171.db2.gz	LTGGXDLFBGXWFZ-MNOVXSKESA-N	-2	0	337.394	-0.015	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)CC1	ZINC000863965964	584382349	/nfs/dbraw/zinc/38/23/49/584382349.db2.gz	PIZMXTNEBHXKNF-CQSZACIVSA-N	-2	0	346.405	-0.056	20	0		EBADRL
O=C([O-])[C@@H]1C[C@@H](O)CN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000740057114	600139325	/nfs/dbraw/zinc/13/93/25/600139325.db2.gz	OGEYNGQAMDYNJL-SCZZXKLOSA-N	-2	0	325.346	-0.472	20	0		EBADRL
O=C([O-])c1coc(C(=O)COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1	ZINC000739355868	600176237	/nfs/dbraw/zinc/17/62/37/600176237.db2.gz	QPRUELBCJAXFEI-UHFFFAOYSA-N	-2	0	346.255	-0.212	20	0		EBADRL
O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCOC2)cc1	ZINC000739824631	600243317	/nfs/dbraw/zinc/24/33/17/600243317.db2.gz	SVXVGJLRPXIOQY-LLVKDONJSA-N	-2	0	329.330	-0.002	20	0		EBADRL
O=C([O-])NC[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000740634242	602506873	/nfs/dbraw/zinc/50/68/73/602506873.db2.gz	MOZMKBZHDVNRPV-SECBINFHSA-N	-2	0	334.336	-0.423	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1Cl	ZINC000740296795	602676654	/nfs/dbraw/zinc/67/66/54/602676654.db2.gz	RIPMCROFXLECCW-UHFFFAOYSA-N	-2	0	340.745	-0.837	20	0		EBADRL
C[C@@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)N1C(=O)[O-]	ZINC000739132255	602755381	/nfs/dbraw/zinc/75/53/81/602755381.db2.gz	FKQUTHXIFSYSSY-DTORHVGOSA-N	-2	0	334.336	-0.330	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)[O-])C2)c1Cl	ZINC000740297910	602962247	/nfs/dbraw/zinc/96/22/47/602962247.db2.gz	YLNNCFHYILVNAD-LURJTMIESA-N	-2	0	336.757	-0.122	20	0		EBADRL
C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000738996172	603004512	/nfs/dbraw/zinc/00/45/12/603004512.db2.gz	XRTKHMAXPQTZEL-SSDOTTSWSA-N	-2	0	341.345	-0.567	20	0		EBADRL
CC(=O)NCCNC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-]	ZINC000054920007	649957369	/nfs/dbraw/zinc/95/73/69/649957369.db2.gz	GQJZRHQMHSTTDA-UHFFFAOYSA-N	-2	0	346.347	-0.342	20	0		EBADRL
CNC(=O)C1(C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])CC1	ZINC000068511403	649966628	/nfs/dbraw/zinc/96/66/28/649966628.db2.gz	HUNHACZWARKGNV-UHFFFAOYSA-N	-2	0	343.343	-0.135	20	0		EBADRL
C[C@](O)(CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000262782888	649988312	/nfs/dbraw/zinc/98/83/12/649988312.db2.gz	JDZIYWAJWYYBFY-NHYWBVRUSA-N	-2	0	335.316	-0.342	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)c1[O-]	ZINC000937833108	651939145	/nfs/dbraw/zinc/93/91/45/651939145.db2.gz	XQVPTMLQLILQQF-QMMMGPOBSA-N	-2	0	334.336	-0.195	20	0		EBADRL
O=C([O-])N(CC(=O)N1CCO[C@H](c2nnn[n-]2)C1)C[C@H]1CCCO1	ZINC000740491536	719420356	/nfs/dbraw/zinc/42/03/56/719420356.db2.gz	LZUXLSRYFQWAMY-ZJUUUORDSA-N	-2	0	340.340	-0.741	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[n-]3)CC2(C)C)c1[O-]	ZINC000973044267	725623357	/nfs/dbraw/zinc/62/33/57/725623357.db2.gz	SFSPGWDHSAYYGZ-MRVPVSSYSA-N	-2	0	335.368	-0.112	20	0		EBADRL
CCc1nc2c(c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1)CNC2	ZINC001218416242	810490276	/nfs/dbraw/zinc/49/02/76/810490276.db2.gz	GPQDLOVCOGCQLO-KGFZYKRKSA-N	-2	0	339.304	-0.916	20	0		EBADRL
NNCc1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001218418296	810491651	/nfs/dbraw/zinc/49/16/51/810491651.db2.gz	QHRWOKDSROADOT-LDYMZIIASA-N	-2	0	346.723	-0.255	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1cccc2c1OCO2)[C@@H](O)C(=O)[O-]	ZINC001223268148	811695196	/nfs/dbraw/zinc/69/51/96/811695196.db2.gz	YWVYBFDMRHURLP-GZMMTYOYSA-N	-2	0	326.257	-0.005	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(-n2cncn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001223383770	811702115	/nfs/dbraw/zinc/70/21/15/811702115.db2.gz	FKJADLUVNKSMBN-WCQYABFASA-N	-2	0	349.299	-0.153	20	0		EBADRL
COc1ccnc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C	ZINC001223623004	811718716	/nfs/dbraw/zinc/71/87/16/811718716.db2.gz	AXWJLEDONTYPJH-PRHODGIISA-N	-2	0	327.289	-0.022	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1nccc2c1OCO2)[C@H](O)C(=O)[O-]	ZINC001223758109	811728086	/nfs/dbraw/zinc/72/80/86/811728086.db2.gz	YPHKXNQMXTXUEH-LDWIPMOCSA-N	-2	0	327.245	-0.610	20	0		EBADRL
COc1cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(C)n1	ZINC001224117170	811746619	/nfs/dbraw/zinc/74/66/19/811746619.db2.gz	LZPNUWBIMLSVCN-BXKDBHETSA-N	-2	0	327.289	-0.022	20	0		EBADRL
Cc1nc(C)c(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1C	ZINC001224152231	811747667	/nfs/dbraw/zinc/74/76/67/811747667.db2.gz	UDKPTLIFYFCIEK-JOYOIKCWSA-N	-2	0	326.305	-0.019	20	0		EBADRL
COC(=O)c1coc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001224254823	811751410	/nfs/dbraw/zinc/75/14/10/811751410.db2.gz	USDQTFXBTYIZOM-MLUIRONXSA-N	-2	0	331.233	-0.959	20	0		EBADRL
CCOC(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])on1	ZINC001224259541	811751948	/nfs/dbraw/zinc/75/19/48/811751948.db2.gz	AJPGNMQUJGJQPF-GMSGAONNSA-N	-2	0	345.260	-0.569	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)Nc1ccccc1)[C@H](O)C(=O)[O-]	ZINC001224459461	811761823	/nfs/dbraw/zinc/76/18/23/811761823.db2.gz	BTTPJDOZHHRGBT-CABZTGNLSA-N	-2	0	325.273	-0.295	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCCO[C@H]1CCCCO1)[C@@H](O)C(=O)[O-]	ZINC001224527391	811763151	/nfs/dbraw/zinc/76/31/51/811763151.db2.gz	ZZUJSUGLUDJHIW-ZMLRMANQSA-N	-2	0	334.321	-0.001	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCCCC[P@@](=O)([O-])O)[C@@H](O)C(=O)[O-]	ZINC001225018697	811787702	/nfs/dbraw/zinc/78/77/02/811787702.db2.gz	FTAYTEYNSCQZKK-HTRCEHHLSA-N	-3	0	328.210	-0.976	20	0		EBADRL
NC(=O)c1ccc(Cl)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001225394544	811808067	/nfs/dbraw/zinc/80/80/67/811808067.db2.gz	RHCJBSYEQBRZIZ-SSDOTTSWSA-N	-2	0	339.624	-0.186	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2c1CCC2)[C@@H](O)C(=O)[O-]	ZINC001226343514	811861190	/nfs/dbraw/zinc/86/11/90/811861190.db2.gz	XRWQVSSZGTXMPO-IMTBSYHQSA-N	-2	0	326.261	-0.887	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2c1CCC2)[C@H](O)C(=O)[O-]	ZINC001226590663	811872192	/nfs/dbraw/zinc/87/21/92/811872192.db2.gz	AWTSBRUPDFQFKS-KRTXAFLBSA-N	-2	0	325.273	-0.282	20	0		EBADRL
O=C(Oc1cccc2c1NC(=O)CO2)[C@H](O)COP(=O)([O-])[O-]	ZINC001226634432	811876033	/nfs/dbraw/zinc/87/60/33/811876033.db2.gz	NVOBMFYBMUKNLI-ZCFIWIBFSA-N	-2	0	333.189	-0.607	20	0		EBADRL
COC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001226935095	811892681	/nfs/dbraw/zinc/89/26/81/811892681.db2.gz	QSZZYGDAXCDLAW-ZWNOBZJWSA-N	-2	0	340.284	-0.156	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2ccccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001226979882	811894522	/nfs/dbraw/zinc/89/45/22/811894522.db2.gz	BKSDPAHZSXMTDJ-MRVPVSSYSA-N	-3	0	330.189	-0.289	20	0		EBADRL
CCc1cnc(=S)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227064965	811902414	/nfs/dbraw/zinc/90/24/14/811902414.db2.gz	XRTOTOZKAXSWFG-SVRRBLITSA-N	-2	0	330.318	-0.231	20	0		EBADRL
COc1cc(O)cc(OC)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227251363	811912211	/nfs/dbraw/zinc/91/22/11/811912211.db2.gz	GFPGFPLOLTZGFE-RDDDGLTNSA-N	-2	0	344.272	-0.149	20	0		EBADRL
COc1cnnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl	ZINC001227257809	811913214	/nfs/dbraw/zinc/91/32/14/811913214.db2.gz	LEDZXMUXDHXRCV-NVNXEXLPSA-N	-2	0	334.668	-0.420	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2nc[nH]c21)[C@H](O)C(=O)[O-]	ZINC001227615760	811931377	/nfs/dbraw/zinc/93/13/77/811931377.db2.gz	FFQKRDYJMLNKJW-CVYQJGLWSA-N	-2	0	342.289	-0.917	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cc[nH]c21)[C@@H](O)C(=O)[O-]	ZINC001227808136	811942775	/nfs/dbraw/zinc/94/27/75/811942775.db2.gz	FBOSSTMJQUCGGC-SPGJFGJESA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(-c2cccnc2)n1)[C@@H](O)C(=O)[O-]	ZINC001228697064	811994392	/nfs/dbraw/zinc/99/43/92/811994392.db2.gz	GHRYKFKFTQPGGA-VXNVDRBHSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C(Oc1cn2nc(Cl)ccc2n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228840301	811999290	/nfs/dbraw/zinc/99/92/90/811999290.db2.gz	JYWBBYNGFIETJC-RXMQYKEDSA-N	-2	0	337.612	-0.242	20	0		EBADRL
O=C(Oc1cc(=O)[nH]c2cccnc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001229502384	812037196	/nfs/dbraw/zinc/03/71/96/812037196.db2.gz	QZLWMUWPJCGLCV-SSDOTTSWSA-N	-2	0	330.189	-0.289	20	0		EBADRL
COC(=O)c1cccc(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230288188	812099436	/nfs/dbraw/zinc/09/94/36/812099436.db2.gz	YVIWFXKXFDJIKV-XVKPBYJWSA-N	-2	0	342.256	-0.379	20	0		EBADRL
CCOC(=O)c1ccnnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230911218	812255252	/nfs/dbraw/zinc/25/52/52/812255252.db2.gz	WSNYTGJUGIQNCH-IONNQARKSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-c2nn[nH]n2)cc1)[C@@H](O)C(=O)[O-]	ZINC001231076929	812270413	/nfs/dbraw/zinc/27/04/13/812270413.db2.gz	OSKQPJGVKJCFSV-PSASIEDQSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc(-c2nn[nH]n2)c1)[C@@H](O)C(=O)[O-]	ZINC001231121917	812273586	/nfs/dbraw/zinc/27/35/86/812273586.db2.gz	PRTIGZFUWAHNNA-PSASIEDQSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc[nH]c2cc(=O)ccc1-2)[C@H](O)C(=O)[O-]	ZINC001231116356	812274534	/nfs/dbraw/zinc/27/45/34/812274534.db2.gz	MZLYLXZVNWSJDF-KCJUWKMLSA-N	-2	0	336.256	-0.223	20	0		EBADRL
CCOc1cc(Cl)nnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233685265	812329512	/nfs/dbraw/zinc/32/95/12/812329512.db2.gz	HXMODKKSVPINHH-ANLVUFKYSA-N	-2	0	348.695	-0.030	20	0		EBADRL
COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(OC)n1	ZINC001234255625	812403431	/nfs/dbraw/zinc/40/34/31/812403431.db2.gz	LKBQXLDNPCVSGZ-LHLIQPBNSA-N	-2	0	329.261	-0.459	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)NCCOP(=O)([O-])[O-]	ZINC001259013682	812801620	/nfs/dbraw/zinc/80/16/20/812801620.db2.gz	BITMYOPJRHBCQP-UHFFFAOYSA-N	-2	0	345.291	-0.078	20	0		EBADRL
COc1ncc(/C=C/C(=O)NCCOP(=O)([O-])[O-])c(OC)n1	ZINC001142453693	830129943	/nfs/dbraw/zinc/12/99/43/830129943.db2.gz	IAKZORCWHLKGGF-ONEGZZNKSA-N	-2	0	333.237	-0.268	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc([O-])c(F)c1F	ZINC001212000281	837517334	/nfs/dbraw/zinc/51/73/34/837517334.db2.gz	WWMIDAOKPOUKPE-UHFFFAOYSA-N	-2	0	349.275	-0.318	20	0		EBADRL
NC(=O)[C@H]1CCCN1c1cc(NCCOP(=O)([O-])[O-])ncn1	ZINC001157795660	831594159	/nfs/dbraw/zinc/59/41/59/831594159.db2.gz	JXOKJXFJHPDDRM-MRVPVSSYSA-N	-2	0	331.269	-0.548	20	0		EBADRL
C[C@H]1[C@H](Nc2ccc(P(=O)([O-])[O-])cc2)C(=O)N1S(=O)(=O)[O-]	ZINC001167862510	832379938	/nfs/dbraw/zinc/37/99/38/832379938.db2.gz	XAABNBXEBOLOJM-RCOVLWMOSA-N	-3	0	336.262	-0.696	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@@H](CO)[C@@H](O)C1	ZINC001189870183	834203633	/nfs/dbraw/zinc/20/36/33/834203633.db2.gz	ARXGZTGCUAVYBE-ONGXEEELSA-N	-2	0	331.261	-0.027	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@@H](CO)[C@H](O)C1	ZINC001189870180	834203747	/nfs/dbraw/zinc/20/37/47/834203747.db2.gz	ARXGZTGCUAVYBE-GXSJLCMTSA-N	-2	0	331.261	-0.027	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC2(CCO)COC2)cc(S(=O)(=O)[O-])c1	ZINC001189934867	834210190	/nfs/dbraw/zinc/21/01/90/834210190.db2.gz	ZDMIQOSFXQTCJL-UHFFFAOYSA-N	-2	0	345.329	-0.487	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCS(=O)(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001206103813	836624938	/nfs/dbraw/zinc/62/49/38/836624938.db2.gz	VAGIYCWONBJQEW-KOLCDFICSA-N	-2	0	346.313	-0.503	20	0		EBADRL
O=C(COCC(=O)[N-]OC[C@H]1CCOC1)[N-]OC[C@@H]1CCOC1	ZINC001338861520	842872950	/nfs/dbraw/zinc/87/29/50/842872950.db2.gz	OXDSNODUGFWQNX-TXEJJXNPSA-N	-2	0	332.353	-0.828	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c1	ZINC001595120410	951972210	/nfs/dbraw/zinc/97/22/10/951972210.db2.gz	ZCBNDWZDNUZNJU-UHFFFAOYSA-N	-2	0	347.331	-0.213	20	0		EBADRL
C[C@@H](CN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nnn[n-]1	ZINC001589022122	955480236	/nfs/dbraw/zinc/48/02/36/955480236.db2.gz	KWBOHMFQWVNOFK-QMMMGPOBSA-N	-2	0	345.381	-0.959	20	0		EBADRL
C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nn(C)cc1[O-]	ZINC001589090944	955938848	/nfs/dbraw/zinc/93/88/48/955938848.db2.gz	MCJJZRMDRZODCK-MRVPVSSYSA-N	-2	0	345.377	-0.418	20	0		EBADRL
COC[C@]1(C(=O)[O-])CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC001593962999	956509899	/nfs/dbraw/zinc/50/98/99/956509899.db2.gz	WHYUUCYBAUZDLT-AWEZNQCLSA-N	-2	0	335.320	-0.979	20	0		EBADRL
COCCN(CCC(=O)[O-])C(=O)c1cc(S(N)(=O)=O)ccc1[O-]	ZINC001594008281	956984396	/nfs/dbraw/zinc/98/43/96/956984396.db2.gz	SFQJIOCFXHHHOP-UHFFFAOYSA-N	-2	0	346.361	-0.397	20	0		EBADRL
O=C([O-])C1(CNC(=O)C(=O)[N-]OC[C@@H]2CCOC2)CCOCC1	ZINC001605761045	972423526	/nfs/dbraw/zinc/42/35/26/972423526.db2.gz	DCCGSYWVPBAMMT-SNVBAGLBSA-N	-2	0	330.337	-0.932	20	0		EBADRL
C[C@](O)(C[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)[O-]	ZINC001603263457	972449887	/nfs/dbraw/zinc/44/98/87/972449887.db2.gz	LLNRGWVGFDWDEC-PRWKNARSSA-N	-2	0	336.391	-0.187	20	0		EBADRL
O=C([O-])[C@@H]1CC(C(=O)NCCc2nc(=O)o[n-]2)=NN1c1ccccc1	ZINC001605792628	972503525	/nfs/dbraw/zinc/50/35/25/972503525.db2.gz	GWSWFPIZQABTTE-NSHDSACASA-N	-2	0	345.315	-0.259	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1=O	ZINC001571224241	962569380	/nfs/dbraw/zinc/56/93/80/962569380.db2.gz	QAEZHXPIWQMXMD-GFCCVEGCSA-N	-2	0	335.364	-0.090	20	0		EBADRL
O=C([O-])C(=O)N1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1	ZINC001605885392	972673211	/nfs/dbraw/zinc/67/32/11/972673211.db2.gz	GDKKUXBRAOGLRZ-UHFFFAOYSA-N	-2	0	348.431	-0.326	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n[nH]1	ZINC001604375818	973092287	/nfs/dbraw/zinc/09/22/87/973092287.db2.gz	AJQBWUGXPNFEHG-JGVFFNPUSA-N	-2	0	331.350	-0.072	20	0		EBADRL
CC(=O)N[C@@H](CS(=O)(=O)C=C([O-])c1cc(C)n(C)c1C)C(=O)[O-]	ZINC001589155403	985478931	/nfs/dbraw/zinc/47/89/31/985478931.db2.gz	GMBAQRGMGSKHOI-LBPRGKRZSA-N	-2	0	344.389	-0.171	20	0		EBADRL
Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCC(=O)[N-]S(C)(=O)=O	ZINC001599955321	985679090	/nfs/dbraw/zinc/67/90/90/985679090.db2.gz	KULVNWBBLYDRNT-UHFFFAOYSA-N	-2	0	331.350	-0.475	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001596968387	986182840	/nfs/dbraw/zinc/18/28/40/986182840.db2.gz	KYHPFYFITZHJCR-MRVPVSSYSA-N	-2	0	326.313	-1.000	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC001589450440	986840958	/nfs/dbraw/zinc/84/09/58/986840958.db2.gz	DCYWCHQSDQTYRG-YUMQZZPRSA-N	-2	0	344.393	-0.210	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(N)=O)C1	ZINC001589454437	986879487	/nfs/dbraw/zinc/87/94/87/986879487.db2.gz	WBCNRBCWKVZTBO-AATLWQCWSA-N	-2	0	334.394	-0.167	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nnn(C(C)(C)C)n1	ZINC001589454823	986885335	/nfs/dbraw/zinc/88/53/35/986885335.db2.gz	RPCWVSHSLFAVAW-RNFRBKRXSA-N	-2	0	333.370	-0.403	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1	ZINC001589490341	987054334	/nfs/dbraw/zinc/05/43/34/987054334.db2.gz	ALEXLZDOLIDIJT-SSDOTTSWSA-N	-2	0	325.306	-0.805	20	0		EBADRL
C[C@@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H](C(=O)[O-])O1	ZINC001599864133	989216195	/nfs/dbraw/zinc/21/61/95/989216195.db2.gz	OGAUXWIHBGDTGV-MUWHJKNJSA-N	-2	0	334.288	-0.250	20	0		EBADRL
CCn1nccc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[nH]c1=O	ZINC001597966651	990007283	/nfs/dbraw/zinc/00/72/83/990007283.db2.gz	XKCIQZGJZYMHPI-SSDOTTSWSA-N	-2	0	341.324	-0.477	20	0		EBADRL
CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](COC1CCC1)C(=O)[O-]	ZINC001598039915	990268095	/nfs/dbraw/zinc/26/80/95/990268095.db2.gz	FMNFRPMRBPADFC-NSHDSACASA-N	-2	0	349.347	-0.448	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O)C(=O)[O-]	ZINC001590797812	990616816	/nfs/dbraw/zinc/61/68/16/990616816.db2.gz	FSUUVBRTMHQTMZ-UHFFFAOYSA-N	-2	0	334.350	-0.918	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)[O-]	ZINC001590798311	990620844	/nfs/dbraw/zinc/62/08/44/990620844.db2.gz	RIUNOLHFWNQPON-MRVPVSSYSA-N	-2	0	341.407	-0.632	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)[O-]	ZINC001590798421	990622265	/nfs/dbraw/zinc/62/22/65/990622265.db2.gz	WQIDSGSPSZNQLL-MRVPVSSYSA-N	-2	0	335.382	-0.666	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)c1cnc2n1CCOC2)C(=O)[O-]	ZINC001590799469	990629505	/nfs/dbraw/zinc/62/95/05/990629505.db2.gz	XFRRIGIYLFFVCM-UHFFFAOYSA-N	-2	0	331.350	-0.416	20	0		EBADRL
CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1	ZINC001598469800	992008346	/nfs/dbraw/zinc/00/83/46/992008346.db2.gz	XRYDICUBZMUKQQ-NSHDSACASA-N	-2	0	340.254	-0.215	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1	ZINC001599762868	992146205	/nfs/dbraw/zinc/14/62/05/992146205.db2.gz	ZSVOYTYPDHZEFE-NXEZZACHSA-N	-2	0	342.373	-0.034	20	0		EBADRL
CN1C(=O)COc2ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc21	ZINC001598553830	993032873	/nfs/dbraw/zinc/03/28/73/993032873.db2.gz	YVEMVRFAYQSIMB-UHFFFAOYSA-N	-2	0	328.302	-0.814	20	0		EBADRL
C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-]	ZINC001593176338	994055195	/nfs/dbraw/zinc/05/51/95/994055195.db2.gz	TZFTUOHBEBCVLW-BDAKNGLRSA-N	-2	0	328.346	-0.276	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598694310	995112368	/nfs/dbraw/zinc/11/23/68/995112368.db2.gz	ZRFUDSYOSOMFSV-QMMMGPOBSA-N	-2	0	329.330	-0.065	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)[O-]	ZINC001598838728	996506963	/nfs/dbraw/zinc/50/69/63/996506963.db2.gz	CVMJMNDNLBZADY-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)CCNC(=O)c1cccc(C(=O)NCCC(=O)[O-])c1[O-]	ZINC001598853787	996624379	/nfs/dbraw/zinc/62/43/79/996624379.db2.gz	PKYFCKZJJJOAIK-UHFFFAOYSA-N	-2	0	338.316	-0.110	20	0		EBADRL
COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001598876515	996766307	/nfs/dbraw/zinc/76/63/07/996766307.db2.gz	RHFMHGAWOXGINX-UHFFFAOYSA-N	-2	0	336.347	-0.051	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@]1(C(=O)[O-])CCOC1	ZINC001599502298	997147076	/nfs/dbraw/zinc/14/70/76/997147076.db2.gz	BOSXARXFSGGSIB-CYBMUJFWSA-N	-2	0	345.329	-0.085	20	0		EBADRL
COC(=O)c1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c[nH]1	ZINC001598920062	997547155	/nfs/dbraw/zinc/54/71/55/997547155.db2.gz	QWBXISCQFMCDHZ-RQJHMYQMSA-N	-2	0	332.334	-0.030	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001599232699	997890228	/nfs/dbraw/zinc/89/02/28/997890228.db2.gz	YAKLZUZCSKIRSS-UHFFFAOYSA-N	-2	0	334.394	-0.039	20	0		EBADRL
COCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1	ZINC001599252556	998257240	/nfs/dbraw/zinc/25/72/40/998257240.db2.gz	ORBDTEYTDWZRES-UHFFFAOYSA-N	-2	0	340.288	-0.196	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-]	ZINC001599017113	998948397	/nfs/dbraw/zinc/94/83/97/998948397.db2.gz	OKJOTVLDXLLEPR-ZCFIWIBFSA-N	-2	0	338.363	-0.568	20	0		EBADRL
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H]1CCOC1	ZINC001599028339	999032249	/nfs/dbraw/zinc/03/22/49/999032249.db2.gz	LIKDXYBUJYCYPV-GMSGAONNSA-N	-2	0	333.318	-0.166	20	0		EBADRL
CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CCOC1	ZINC001599028341	999032255	/nfs/dbraw/zinc/03/22/55/999032255.db2.gz	LIKDXYBUJYCYPV-OIBJUYFYSA-N	-2	0	333.318	-0.166	20	0		EBADRL
CO[C@H](CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1)[C@H]1CCOC1	ZINC001599060589	999262490	/nfs/dbraw/zinc/26/24/90/999262490.db2.gz	VHHKBAHILZAAFQ-JGVFFNPUSA-N	-2	0	334.354	-0.775	20	0		EBADRL
C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C[C@@H]1C(=O)[O-]	ZINC001594393429	999482684	/nfs/dbraw/zinc/48/26/84/999482684.db2.gz	NYSXHLJKQFTIBH-RCWTZXSCSA-N	-2	0	342.348	-0.744	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275147097	291000771	/nfs/dbraw/zinc/00/07/71/291000771.db2.gz	RBBCFKYPZHESKQ-BDAKNGLRSA-N	-2	0	337.350	-0.623	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC000275015492	304066082	/nfs/dbraw/zinc/06/60/82/304066082.db2.gz	QQHXFFPKDXUQNP-MRVPVSSYSA-N	-2	0	333.322	-0.996	20	0		EBADRL
O=C([O-])[C@@H]1COCCN1CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000566359210	376759444	/nfs/dbraw/zinc/75/94/44/376759444.db2.gz	SQDHNHCCZMMLNG-JTQLQIEISA-N	-2	0	325.346	-0.206	20	0		EBADRL
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC1(C(=O)[O-])CC1	ZINC000621571673	379324509	/nfs/dbraw/zinc/32/45/09/379324509.db2.gz	JCQJSXGIYRMBMT-MRVPVSSYSA-N	-2	0	345.377	-0.061	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000274949185	379727348	/nfs/dbraw/zinc/72/73/48/379727348.db2.gz	SFXVCOVCFOMVHU-SSDOTTSWSA-N	-2	0	331.302	-0.336	20	0		EBADRL
COc1cc(OC)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275211047	379742785	/nfs/dbraw/zinc/74/27/85/379742785.db2.gz	HRMDGHKOHXGAFT-JTQLQIEISA-N	-2	0	333.318	-0.090	20	0		EBADRL
Cn1cnc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000547549880	380143346	/nfs/dbraw/zinc/14/33/46/380143346.db2.gz	JZIFMUKDFUSNMP-SECBINFHSA-N	-2	0	327.318	-0.221	20	0		EBADRL
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])c(F)c1	ZINC000547555307	380144061	/nfs/dbraw/zinc/14/40/61/380144061.db2.gz	KLAAWJQBYHQQGQ-QMMMGPOBSA-N	-2	0	333.272	-0.557	20	0		EBADRL
O=C([O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCC1	ZINC000282828061	380091975	/nfs/dbraw/zinc/09/19/75/380091975.db2.gz	MEFXBRGYWBYXAA-UHFFFAOYSA-N	-2	0	340.317	-0.278	20	0		EBADRL
O=C(N=c1[n-]ncs1)NCCCNC(=O)N=c1[n-]ncs1	ZINC000354827322	380103502	/nfs/dbraw/zinc/10/35/02/380103502.db2.gz	ABPWWNSSIQSRJV-UHFFFAOYSA-N	-2	0	328.383	-0.433	20	0		EBADRL
CN1CCc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000547876735	380167126	/nfs/dbraw/zinc/16/71/26/380167126.db2.gz	IKQZPXSPUGHMFI-JTQLQIEISA-N	-2	0	328.346	-0.115	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])C[C@H](C)O1	ZINC000547935388	380173418	/nfs/dbraw/zinc/17/34/18/380173418.db2.gz	BYNWLVKNDMKYEF-VDDIYKPWSA-N	-2	0	338.382	-0.504	20	0		EBADRL
C[C@](CNS(=O)(=O)c1cccc(C(N)=O)c1)(CC(=O)[O-])C(=O)[O-]	ZINC000547934483	380173597	/nfs/dbraw/zinc/17/35/97/380173597.db2.gz	OWCYCQXTSOMGRM-CYBMUJFWSA-N	-2	0	344.345	-0.371	20	0		EBADRL
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548210056	380190566	/nfs/dbraw/zinc/19/05/66/380190566.db2.gz	BEUFJSLBRNNMFQ-DJLDLDEBSA-N	-2	0	337.350	-0.435	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000319851216	381629522	/nfs/dbraw/zinc/62/95/22/381629522.db2.gz	NJXXWNMJMLZLJY-QMMMGPOBSA-N	-2	0	343.317	-0.548	20	0		EBADRL
CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1[O-])c1nnn[n-]1	ZINC000612062348	381776637	/nfs/dbraw/zinc/77/66/37/381776637.db2.gz	VNFYAGGWCHDYRX-SECBINFHSA-N	-2	0	340.365	-0.176	20	0		EBADRL
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	ZINC000261646221	154196116	/nfs/dbraw/zinc/19/61/16/154196116.db2.gz	GYCMIEZFQMAPBA-ZCFIWIBFSA-N	-2	0	342.333	-0.872	20	0		EBADRL
O=C([O-])[C@@H](CCO)NS(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000296961958	155079723	/nfs/dbraw/zinc/07/97/23/155079723.db2.gz	NYNKOFFPQJUDNH-ZCFIWIBFSA-N	-2	0	335.725	-0.010	20	0		EBADRL
Cc1cc(C(=O)NC(C)(C)c2nnn[n-]2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000531097288	419047142	/nfs/dbraw/zinc/04/71/42/419047142.db2.gz	MSORKCMFUNOBQH-UHFFFAOYSA-N	-2	0	330.308	-0.077	20	0		EBADRL
Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000663028098	421123006	/nfs/dbraw/zinc/12/30/06/421123006.db2.gz	QMQRFMSNLSIVHJ-MRVPVSSYSA-N	-2	0	334.288	-0.330	20	0		EBADRL
COC(=O)c1ccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)o1	ZINC000433020936	421246145	/nfs/dbraw/zinc/24/61/45/421246145.db2.gz	PDDCJMPDNFNULO-UHFFFAOYSA-N	-2	0	346.346	0.542	20	0		EBADRL
O=C([O-])CCCCCNC(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1	ZINC000424398937	265061417	/nfs/dbraw/zinc/06/14/17/265061417.db2.gz	PKHMJHACNAVGDT-SECBINFHSA-N	-2	0	336.366	-0.475	20	0		EBADRL
Cc1cc2c(cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])OCO2	ZINC000280076149	301450362	/nfs/dbraw/zinc/45/03/62/301450362.db2.gz	VDWSSQBFURKQTO-UHFFFAOYSA-N	-2	0	331.302	-0.116	20	0		EBADRL
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(F)c1	ZINC000320398316	545788894	/nfs/dbraw/zinc/78/88/94/545788894.db2.gz	FKGMXFDOQZEBSF-UHFFFAOYSA-N	-2	0	348.308	-0.056	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000386940967	546415240	/nfs/dbraw/zinc/41/52/40/546415240.db2.gz	QXQVZFQUBIQJNO-SECBINFHSA-N	-2	0	330.318	-0.618	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000731051155	582834120	/nfs/dbraw/zinc/83/41/20/582834120.db2.gz	RQIMWGMJXNWJRS-ZETCQYMHSA-N	-3	0	335.265	-0.270	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC000737134866	582991978	/nfs/dbraw/zinc/99/19/78/582991978.db2.gz	FXNFGFHZNQCOQF-CIUDSAMLSA-N	-2	0	334.350	-0.904	20	0		EBADRL
CN(CCCC(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)C(=O)[O-]	ZINC000737427856	583008106	/nfs/dbraw/zinc/00/81/06/583008106.db2.gz	ZZONYGOHJGBWBX-UHFFFAOYSA-N	-2	0	346.365	-0.681	20	0		EBADRL
CN(Cc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1)C(=O)[O-]	ZINC000737476494	583009076	/nfs/dbraw/zinc/00/90/76/583009076.db2.gz	AUGDQNXPCJWTDP-UHFFFAOYSA-N	-2	0	333.308	-0.436	20	0		EBADRL
COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000737578631	583016962	/nfs/dbraw/zinc/01/69/62/583016962.db2.gz	PFCXTAVMJUSWFU-NXEZZACHSA-N	-2	0	327.314	-0.001	20	0		EBADRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-]	ZINC000757643645	583194153	/nfs/dbraw/zinc/19/41/53/583194153.db2.gz	DHTYBDAYPXTBLY-UHFFFAOYSA-N	-2	0	330.318	-0.828	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000759509821	583214228	/nfs/dbraw/zinc/21/42/28/583214228.db2.gz	IOUBQTLRKOIADD-LURJTMIESA-N	-2	0	332.300	-0.322	20	0		EBADRL
CCO[N-]C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000821389117	583790579	/nfs/dbraw/zinc/79/05/79/583790579.db2.gz	GHVIPJUZABXGDV-QMMMGPOBSA-N	-2	0	340.365	-0.399	20	0		EBADRL
CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550697	583832741	/nfs/dbraw/zinc/83/27/41/583832741.db2.gz	WXEFTKSRWOHZDL-MNOVXSKESA-N	-2	0	347.393	-0.557	20	0		EBADRL
CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000823749407	583836678	/nfs/dbraw/zinc/83/66/78/583836678.db2.gz	XWJLCUJTLZGPFU-MRVPVSSYSA-N	-2	0	335.382	-0.653	20	0		EBADRL
C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)[O-]	ZINC000824635037	583848072	/nfs/dbraw/zinc/84/80/72/583848072.db2.gz	YAUPMHGCAPESHL-SCSAIBSYSA-N	-2	0	333.276	-0.104	20	0		EBADRL
C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000825817911	583867459	/nfs/dbraw/zinc/86/74/59/583867459.db2.gz	UGDCWKXZVGVESC-DTWKUNHWSA-N	-2	0	334.336	-0.282	20	0		EBADRL
O=C([O-])CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F	ZINC000826461140	583902699	/nfs/dbraw/zinc/90/26/99/583902699.db2.gz	HRPVWNBAXNMRDH-UHFFFAOYSA-N	-2	0	333.276	-0.102	20	0		EBADRL
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000827403946	583920810	/nfs/dbraw/zinc/92/08/10/583920810.db2.gz	BMGFCSYQZHZQAP-UWVGGRQHSA-N	-2	0	338.382	-0.374	20	0		EBADRL
CN(CCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000828331958	583937498	/nfs/dbraw/zinc/93/74/98/583937498.db2.gz	AGDLJZZMVYRZIS-UHFFFAOYSA-N	-2	0	343.321	-0.676	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)[O-])C1	ZINC000829001802	583949897	/nfs/dbraw/zinc/94/98/97/583949897.db2.gz	FHDXFBWKUFFBOX-JTQLQIEISA-N	-2	0	338.382	-0.515	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN(C(=O)[O-])C1	ZINC000829001803	583949898	/nfs/dbraw/zinc/94/98/98/583949898.db2.gz	FHDXFBWKUFFBOX-SNVBAGLBSA-N	-2	0	338.382	-0.515	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)cc1	ZINC000829506523	583953949	/nfs/dbraw/zinc/95/39/49/583953949.db2.gz	DJUSTZWFVWGZPF-LLVKDONJSA-N	-2	0	344.345	-0.121	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)C[C@@H]2CSCCN2C(=O)[O-])n[n-]1	ZINC000829699851	583957373	/nfs/dbraw/zinc/95/73/73/583957373.db2.gz	NXBWWAIZSJGBJS-ZCFIWIBFSA-N	-2	0	349.394	-0.368	20	0		EBADRL
CCN(CCC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000829705473	583957423	/nfs/dbraw/zinc/95/74/23/583957423.db2.gz	UTPWMABPBDIRQS-UHFFFAOYSA-N	-2	0	342.333	-0.079	20	0		EBADRL
CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000829972806	583961112	/nfs/dbraw/zinc/96/11/12/583961112.db2.gz	KRNPKCTXVBWXGO-VIFPVBQESA-N	-2	0	336.304	-0.002	20	0		EBADRL
Cc1cc(OCC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)no1	ZINC000830129363	583964067	/nfs/dbraw/zinc/96/40/67/583964067.db2.gz	QAJHJXCOKGEVSZ-MRVPVSSYSA-N	-2	0	333.322	-0.440	20	0		EBADRL
Cn1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c1=O	ZINC000831022948	583974681	/nfs/dbraw/zinc/97/46/81/583974681.db2.gz	TXKMXYUTJOSUMO-QMMMGPOBSA-N	-2	0	329.334	-0.803	20	0		EBADRL
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cn1	ZINC000831192316	583978929	/nfs/dbraw/zinc/97/89/29/583978929.db2.gz	GIOGBQGJOUKTCN-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cn1C	ZINC000831353972	583981911	/nfs/dbraw/zinc/98/19/11/583981911.db2.gz	QHFTURCECWPZIP-UHFFFAOYSA-N	-2	0	343.321	-0.711	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)N1CCCC1	ZINC000831475092	583983152	/nfs/dbraw/zinc/98/31/52/583983152.db2.gz	XNOGJCUHLMONJB-JTQLQIEISA-N	-2	0	335.382	-0.398	20	0		EBADRL
Cc1noc(CCC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC000833022887	584003073	/nfs/dbraw/zinc/00/30/73/584003073.db2.gz	KFXWXYQFFCQPAI-UHFFFAOYSA-N	-2	0	346.365	-0.532	20	0		EBADRL
NC(=O)c1cnc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)s1	ZINC000833087332	584005101	/nfs/dbraw/zinc/00/51/01/584005101.db2.gz	BWETZUUFADLVCU-UHFFFAOYSA-N	-2	0	331.335	-0.676	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CNC(=O)c1ccccc1	ZINC000833228411	584007446	/nfs/dbraw/zinc/00/74/46/584007446.db2.gz	OEAXLCJIQUNBCK-UHFFFAOYSA-N	-2	0	328.346	-0.273	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)c1	ZINC000833259949	584007780	/nfs/dbraw/zinc/00/77/80/584007780.db2.gz	TZENQKSHRDGKKH-UHFFFAOYSA-N	-2	0	344.345	-0.543	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)c1cnc(NC(=O)[O-])cn1	ZINC000833877689	584018299	/nfs/dbraw/zinc/01/82/99/584018299.db2.gz	BIPPPMNLWIHPMW-UHFFFAOYSA-N	-2	0	346.321	-0.421	20	0		EBADRL
O=C(CCOC1CN(C(=O)[O-])C1)[N-]S(=O)(=O)N1CCCCC1	ZINC000833993977	584023466	/nfs/dbraw/zinc/02/34/66/584023466.db2.gz	WUJBRHXDKMXEMZ-UHFFFAOYSA-N	-2	0	335.382	-0.398	20	0		EBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nc[nH]n1	ZINC000851704100	584200777	/nfs/dbraw/zinc/20/07/77/584200777.db2.gz	SIMPXUJCXYBNKF-NTSWFWBYSA-N	-2	0	335.242	-0.459	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863952803	584380906	/nfs/dbraw/zinc/38/09/06/584380906.db2.gz	IBHDVILHQBOHJJ-UHFFFAOYSA-N	-2	0	339.333	-0.356	20	0		EBADRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000863955526	584381152	/nfs/dbraw/zinc/38/11/52/584381152.db2.gz	ORMHBMDOFDQQKI-UHFFFAOYSA-N	-2	0	340.357	-0.112	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2	ZINC000863957680	584381301	/nfs/dbraw/zinc/38/13/01/584381301.db2.gz	SCMGHRCSKSNRJB-UHFFFAOYSA-N	-2	0	329.330	-0.082	20	0		EBADRL
O=C([O-])CSCC(=O)[N-]S(=O)(=O)c1cnn(CC(F)F)c1	ZINC000863959831	584381497	/nfs/dbraw/zinc/38/14/97/584381497.db2.gz	PEBWRVSWKYDLGS-UHFFFAOYSA-N	-2	0	343.333	-0.229	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)Cc1cccc2c1OCCO2	ZINC000863963616	584381855	/nfs/dbraw/zinc/38/18/55/584381855.db2.gz	CAEFDRPZGZXDHB-UHFFFAOYSA-N	-2	0	345.329	-0.495	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C	ZINC000863965019	584382113	/nfs/dbraw/zinc/38/21/13/584382113.db2.gz	QZZYGHPVRHRVOF-SECBINFHSA-N	-2	0	325.383	-0.159	20	0		EBADRL
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])ccc21	ZINC000863965684	584382316	/nfs/dbraw/zinc/38/23/16/584382316.db2.gz	LOUHNTBWXZVQJI-UHFFFAOYSA-N	-2	0	326.334	-0.116	20	0		EBADRL
O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000739546371	599728137	/nfs/dbraw/zinc/72/81/37/599728137.db2.gz	HMTVPDVQTJSSTA-IUCAKERBSA-N	-2	0	327.314	-0.017	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1C(N)=O	ZINC000738652473	600440479	/nfs/dbraw/zinc/44/04/79/600440479.db2.gz	LPDRUTZNHUDAHC-UWVGGRQHSA-N	-2	0	326.330	-0.380	20	0		EBADRL
CN(C(=O)[O-])[C@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000739581075	602510789	/nfs/dbraw/zinc/51/07/89/602510789.db2.gz	AAHBASAQVYQILL-VIFPVBQESA-N	-2	0	334.336	-0.328	20	0		EBADRL
O=C([O-])N1CC[C@H](CCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1	ZINC000740386758	602516533	/nfs/dbraw/zinc/51/65/33/602516533.db2.gz	FTXBLPGUALJGCT-VIFPVBQESA-N	-2	0	334.336	-0.423	20	0		EBADRL
O=C([O-])NCC1(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CCCC1	ZINC000740616337	602518992	/nfs/dbraw/zinc/51/89/92/602518992.db2.gz	WRUWDOGOTKODSV-UHFFFAOYSA-N	-2	0	334.336	-0.232	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-]	ZINC000739625641	602622234	/nfs/dbraw/zinc/62/22/34/602622234.db2.gz	SNFROJKLLRLFAL-UHFFFAOYSA-N	-2	0	341.345	-0.014	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)CCc1ccccc1	ZINC000740664662	602676645	/nfs/dbraw/zinc/67/66/45/602676645.db2.gz	HZXWZPFZFOIUJW-UHFFFAOYSA-N	-2	0	330.362	-0.041	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2C(=O)[O-])s1	ZINC000740335453	602687193	/nfs/dbraw/zinc/68/71/93/602687193.db2.gz	BZKLNSBZCGUHOL-ZCFIWIBFSA-N	-2	0	347.374	-0.206	20	0		EBADRL
O=C([O-])NCCOc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1	ZINC000740671037	602763648	/nfs/dbraw/zinc/76/36/48/602763648.db2.gz	NZQYUHOGIIEKKZ-UHFFFAOYSA-N	-2	0	349.307	-0.899	20	0		EBADRL
O=C([O-])NCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000738658091	603004437	/nfs/dbraw/zinc/00/44/37/603004437.db2.gz	VVVMBEJMUWGDIS-UHFFFAOYSA-N	-2	0	341.345	-0.565	20	0		EBADRL
CC(C)[C@](C)(CNC(=O)[O-])NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738774710	603124335	/nfs/dbraw/zinc/12/43/35/603124335.db2.gz	YLDXMPQRMCCCRX-AWEZNQCLSA-N	-2	0	336.352	-0.130	20	0		EBADRL
CCC(CC)CS(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000739253716	603146240	/nfs/dbraw/zinc/14/62/40/603146240.db2.gz	SSURJMKBFRVQBF-UHFFFAOYSA-N	-2	0	349.409	-0.309	20	0		EBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000739820693	603170337	/nfs/dbraw/zinc/17/03/37/603170337.db2.gz	PEDNNWKPYPDBKL-UHFFFAOYSA-N	-2	0	335.338	-0.277	20	0		EBADRL
Cc1[nH]nc(C(=O)N2C[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]3C2)c1[O-]	ZINC001048770747	734501098	/nfs/dbraw/zinc/50/10/98/734501098.db2.gz	JBGBKUHUFBCOSP-DTORHVGOSA-N	-2	0	333.352	-0.549	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC3(C2)CCN(Cc2n[nH]c(=O)[n-]2)C3)c1[O-]	ZINC001072625638	741446251	/nfs/dbraw/zinc/44/62/51/741446251.db2.gz	SIUUWOITSUZDJL-UHFFFAOYSA-N	-2	0	333.352	-0.404	20	0		EBADRL
NNCc1cc(Cl)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001218418292	810490773	/nfs/dbraw/zinc/49/07/73/810490773.db2.gz	QHRWOKDSROADOT-KCJUWKMLSA-N	-2	0	346.723	-0.255	20	0		EBADRL
CC(=O)Nc1nc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cs1	ZINC001222879425	811664137	/nfs/dbraw/zinc/66/41/37/811664137.db2.gz	CUEZAKYSZUNGSX-VXNVDRBHSA-N	-2	0	346.317	-0.319	20	0		EBADRL
COC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223298734	811695752	/nfs/dbraw/zinc/69/57/52/811695752.db2.gz	QIZMOQKNFPCGAA-KWQFWETISA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cccnc1COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001223438037	811705306	/nfs/dbraw/zinc/70/53/06/811705306.db2.gz	KYMYLWNSHXDIRF-SECBINFHSA-N	-2	0	335.205	-0.618	20	0		EBADRL
CN(C)Cc1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225281864	811800768	/nfs/dbraw/zinc/80/07/68/811800768.db2.gz	LCFCPBKLQOZVSR-PRHODGIISA-N	-2	0	326.305	-0.415	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2[nH]c(=O)ccc2c1)[C@@H](O)C(=O)[O-]	ZINC001225402172	811808258	/nfs/dbraw/zinc/80/82/58/811808258.db2.gz	JFLWRQDOGBAKCD-NOZJJQNGSA-N	-2	0	335.268	-0.030	20	0		EBADRL
CCNC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225483522	811813844	/nfs/dbraw/zinc/81/38/44/811813844.db2.gz	LKDQAGZHAUAQCO-CABZTGNLSA-N	-2	0	339.300	-0.122	20	0		EBADRL
Cc1cc2c(cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])CC(=O)N2	ZINC001225510943	811816485	/nfs/dbraw/zinc/81/64/85/811816485.db2.gz	AWESBUXMIMQMHE-ISVAXAHUSA-N	-2	0	337.284	-0.069	20	0		EBADRL
CC(=O)Nc1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226151620	811848846	/nfs/dbraw/zinc/84/88/46/811848846.db2.gz	RXZTUTOTRALVOR-XVKPBYJWSA-N	-2	0	326.261	-0.518	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226227774	811853883	/nfs/dbraw/zinc/85/38/83/811853883.db2.gz	WVFGFQQQEMPZBT-RNHFCUEFSA-N	-2	0	340.210	-0.119	20	0		EBADRL
Cn1nc(N)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc21	ZINC001226287730	811857246	/nfs/dbraw/zinc/85/72/46/811857246.db2.gz	JDGFVFBGSRCTNR-KCJUWKMLSA-N	-2	0	337.288	-0.403	20	0		EBADRL
CCOC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n(C)n1	ZINC001226562232	811869461	/nfs/dbraw/zinc/86/94/61/811869461.db2.gz	YLWTVDUKIHHSGH-WKEGUHRASA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2ccc[n+]([O-])c21)[C@@H](O)C(=O)[O-]	ZINC001227003128	811896074	/nfs/dbraw/zinc/89/60/74/811896074.db2.gz	FGJLEBFCKUVGQX-NOZJJQNGSA-N	-2	0	335.268	-0.085	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001227016523	811896744	/nfs/dbraw/zinc/89/67/44/811896744.db2.gz	YEMUQXVWATUUMP-MRVPVSSYSA-N	-2	0	336.189	-0.446	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001227561569	811928884	/nfs/dbraw/zinc/92/88/84/811928884.db2.gz	MLYBQVJBSNIKPT-GXSJLCMTSA-N	-2	0	326.257	-0.085	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001227736879	811940165	/nfs/dbraw/zinc/94/01/65/811940165.db2.gz	AYSNLTYJDRDBMU-GMSGAONNSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001227827283	811943985	/nfs/dbraw/zinc/94/39/85/811943985.db2.gz	YXWOFUSUSINTSV-MLUIRONXSA-N	-2	0	343.244	-0.984	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(=O)cc[nH]c2c1)[C@@H](O)C(=O)[O-]	ZINC001227888998	811948317	/nfs/dbraw/zinc/94/83/17/811948317.db2.gz	KBMQJPBEKFAGAU-NOZJJQNGSA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cnc(C(F)(F)F)nc1)[C@H](O)C(=O)[O-]	ZINC001227961304	811952477	/nfs/dbraw/zinc/95/24/77/811952477.db2.gz	DJDGSAKHBYRELU-VDTYLAMSSA-N	-2	0	338.194	-0.063	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1Cl	ZINC001227953385	811952727	/nfs/dbraw/zinc/95/27/27/811952727.db2.gz	KBDZEGDFJKXREY-OIBJUYFYSA-N	-2	0	345.691	-0.119	20	0		EBADRL
CCCOc1nnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1C	ZINC001228457429	811981132	/nfs/dbraw/zinc/98/11/32/811981132.db2.gz	QSTBSXAXGHJZKI-POYBYMJQSA-N	-2	0	331.281	-0.954	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cn2nc(Cl)ccc2n1)[C@H](O)C(=O)[O-]	ZINC001228840386	811999133	/nfs/dbraw/zinc/99/91/33/811999133.db2.gz	LABZWMPHVYBPIA-RRAGMBSWSA-N	-2	0	343.679	-0.176	20	0		EBADRL
COc1cc(=O)[n-]c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n1	ZINC001228919422	812006372	/nfs/dbraw/zinc/00/63/72/812006372.db2.gz	XPIGTRQEAQVELP-SECBINFHSA-N	-2	0	349.365	-0.842	20	0		EBADRL
CC(=O)c1c(=O)oc(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001229186615	812016868	/nfs/dbraw/zinc/01/68/68/812016868.db2.gz	LDZCFCLREDWPHD-WRWORJQWSA-N	-2	0	342.256	-0.407	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2cccnc21)[C@@H](O)C(=O)[O-]	ZINC001229501671	812037116	/nfs/dbraw/zinc/03/71/16/812037116.db2.gz	KBBKZYPJVUEKMJ-SREIQFSDSA-N	-2	0	336.256	-0.223	20	0		EBADRL
COC(=O)c1cccc(O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001230287989	812099638	/nfs/dbraw/zinc/09/96/38/812099638.db2.gz	YOCMTPYMBBFJHG-MRVPVSSYSA-N	-2	0	336.189	-0.446	20	0		EBADRL
NC(=O)c1c(F)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F	ZINC001234593497	812442947	/nfs/dbraw/zinc/44/29/47/812442947.db2.gz	RLHRIRJZMVKNGU-RRAGMBSWSA-N	-2	0	347.226	-0.495	20	0		EBADRL
CCOC(=O)c1cccnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234618258	812444152	/nfs/dbraw/zinc/44/41/52/812444152.db2.gz	ITDVQQKZJMOKHH-WCBMZHEXSA-N	-2	0	341.272	-0.300	20	0		EBADRL
CCOC(=O)c1cccnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234618257	812444334	/nfs/dbraw/zinc/44/43/34/812444334.db2.gz	ITDVQQKZJMOKHH-SCZZXKLOSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)N[C@@H]2CO[N-]C2=O)c(F)cc1Cl	ZINC001259222076	812808384	/nfs/dbraw/zinc/80/83/84/812808384.db2.gz	HAWLAHDBEPIVNT-SSDOTTSWSA-N	-2	0	338.700	-0.114	20	0		EBADRL
COCCCO[N-]C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001118541682	826955273	/nfs/dbraw/zinc/95/52/73/826955273.db2.gz	JHUKQVDNPNAMMY-UHFFFAOYSA-N	-2	0	328.325	-0.274	20	0		EBADRL
O=C(Cn1c(=O)cnc2ccccc21)NCCOP(=O)([O-])[O-]	ZINC001182945095	833269561	/nfs/dbraw/zinc/26/95/61/833269561.db2.gz	BUPXBOGVNXFLOE-UHFFFAOYSA-N	-2	0	327.233	-0.378	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])[C@@H]1[C@H](O)CCN1Cc1ccccc1	ZINC001143675662	830155291	/nfs/dbraw/zinc/15/52/91/830155291.db2.gz	JPWWBYFWOABQSZ-OLZOCXBDSA-N	-2	0	344.304	-0.153	20	0		EBADRL
CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)NCCOP(=O)([O-])[O-]	ZINC001146188429	830176412	/nfs/dbraw/zinc/17/64/12/830176412.db2.gz	HDWACCWQTXWISV-NSHDSACASA-N	-2	0	342.285	-0.512	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148927224	830557600	/nfs/dbraw/zinc/55/76/00/830557600.db2.gz	IRAYBXCFMOSYBU-UHFFFAOYSA-N	-3	0	341.234	-0.522	20	0		EBADRL
O=C(Cc1ccc(-n2cnnn2)cc1)NCCOP(=O)([O-])[O-]	ZINC001176869185	832698406	/nfs/dbraw/zinc/69/84/06/832698406.db2.gz	CPGBLYKUOBXUNF-UHFFFAOYSA-N	-2	0	327.237	-0.570	20	0		EBADRL
C[C@@H](O)[C@@H](CO)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189913934	834208194	/nfs/dbraw/zinc/20/81/94/834208194.db2.gz	HSINYVUZMCEAIY-LHLIQPBNSA-N	-2	0	333.318	-0.897	20	0		EBADRL
Cn1[nH]cnc1=NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189914563	834208275	/nfs/dbraw/zinc/20/82/75/834208275.db2.gz	PBDDEGWGJIBZJZ-UHFFFAOYSA-N	-2	0	326.290	-0.566	20	0		EBADRL
Nc1c(=O)c(=O)c1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189915869	834208457	/nfs/dbraw/zinc/20/84/57/834208457.db2.gz	YNOQVNGHRVJSCK-UHFFFAOYSA-N	-2	0	340.269	-0.938	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCc2cn[nH]n2)cc(S(=O)(=O)[O-])c1	ZINC001189933048	834208963	/nfs/dbraw/zinc/20/89/63/834208963.db2.gz	HGLQHVOAWYIQRK-UHFFFAOYSA-N	-2	0	326.290	-0.320	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC[C@@H]2CCC(=O)N2)cc(S(=O)(=O)[O-])c1	ZINC001189934846	834211113	/nfs/dbraw/zinc/21/11/13/834211113.db2.gz	YWSDZRBCWTWJEQ-VIFPVBQESA-N	-2	0	342.329	-0.360	20	0		EBADRL
COc1cc(C(=O)NCCOP(=O)([O-])[O-])c(OC)nc1OC	ZINC001191304804	834454128	/nfs/dbraw/zinc/45/41/28/834454128.db2.gz	BEEHBKSTMCBXMP-UHFFFAOYSA-N	-2	0	336.237	-0.054	20	0		EBADRL
O=C([O-])COc1ccc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)cc1	ZINC001192738239	834724439	/nfs/dbraw/zinc/72/44/39/834724439.db2.gz	QUELEVKAGXJMFB-JTQLQIEISA-N	-2	0	346.342	-0.263	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2cc(Cl)ncc2[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001196396473	835410399	/nfs/dbraw/zinc/41/03/99/835410399.db2.gz	JRMHVWUVCUXAKN-NVNXEXLPSA-N	-2	0	335.725	-0.428	20	0		EBADRL
Cn1c2ccccc2nc(C(=O)NCCOP(=O)([O-])[O-])c1=O	ZINC001198663877	835705715	/nfs/dbraw/zinc/70/57/15/835705715.db2.gz	DOQBEKXJJFEPCB-UHFFFAOYSA-N	-2	0	327.233	-0.227	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cnc(=O)n(C2CCOCC2)c1	ZINC001198900203	835739285	/nfs/dbraw/zinc/73/92/85/835739285.db2.gz	SVECWUOOBQPIIX-UHFFFAOYSA-N	-2	0	347.264	-0.566	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(C(=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001205688656	836586806	/nfs/dbraw/zinc/58/68/06/836586806.db2.gz	CBMAFCQKLVFAHJ-ONGXEEELSA-N	-3	0	326.257	-0.036	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OC[C@@H]1COc2ccccc2O1)[C@H](O)C(=O)[O-]	ZINC001206345675	836641555	/nfs/dbraw/zinc/64/15/55/836641555.db2.gz	GSMLRYIBOSCGPP-RVBZMBCESA-N	-2	0	340.284	-0.094	20	0		EBADRL
CN(CCN(C)C(=O)c1c[n-]n2c1nccc2=O)Cc1n[nH]c(=O)[n-]1	ZINC001320059453	838218272	/nfs/dbraw/zinc/21/82/72/838218272.db2.gz	SHLLGYVGKPHOCX-UHFFFAOYSA-N	-2	0	346.351	-0.950	20	0		EBADRL
CC1(C)CNC(=O)CN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001570942448	949289616	/nfs/dbraw/zinc/28/96/16/949289616.db2.gz	LVWDROYZPLQJJU-UHFFFAOYSA-N	-2	0	343.351	-0.675	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)Cc2ccon2)CCOCC1	ZINC001594976931	950930262	/nfs/dbraw/zinc/93/02/62/950930262.db2.gz	ZWENGZNFERESGT-UHFFFAOYSA-N	-2	0	332.334	-0.108	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1	ZINC001591997950	951275229	/nfs/dbraw/zinc/27/52/29/951275229.db2.gz	JQCOSXKCWTXFPQ-GFCCVEGCSA-N	-2	0	334.332	-0.110	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1	ZINC001591997952	951275308	/nfs/dbraw/zinc/27/53/08/951275308.db2.gz	JQCOSXKCWTXFPQ-LBPRGKRZSA-N	-2	0	334.332	-0.110	20	0		EBADRL
Cn1nnnc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC001594602322	956145534	/nfs/dbraw/zinc/14/55/34/956145534.db2.gz	VIJCEIKONPKIEX-HTRCEHHLSA-N	-2	0	336.274	-0.694	20	0		EBADRL
O=C([O-])c1ccc(CS(=O)(=O)NCCc2nc(=O)o[n-]2)cc1	ZINC000392176269	972421298	/nfs/dbraw/zinc/42/12/98/972421298.db2.gz	VIGMAUKRLYUPKE-UHFFFAOYSA-N	-2	0	327.318	-0.277	20	0		EBADRL
Cn1ncc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC001574467887	961595682	/nfs/dbraw/zinc/59/56/82/961595682.db2.gz	XARNHRIBECFOSL-HTRCEHHLSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CO1	ZINC001574680687	962584154	/nfs/dbraw/zinc/58/41/54/962584154.db2.gz	CXLSTIXNHFDEFL-NXEZZACHSA-N	-2	0	339.352	-0.720	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)on1	ZINC000316055255	963971062	/nfs/dbraw/zinc/97/10/62/963971062.db2.gz	WXSHFPFAUHTXPV-RKDXNWHRSA-N	-2	0	331.350	-0.486	20	0		EBADRL
C[C@@H](CC(=O)[O-])NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001592418164	978020859	/nfs/dbraw/zinc/02/08/59/978020859.db2.gz	HRUFDXAJSHJYIS-ZETCQYMHSA-N	-2	0	326.309	-0.379	20	0		EBADRL
CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1	ZINC001596535907	984372521	/nfs/dbraw/zinc/37/25/21/984372521.db2.gz	XLOVQTCQZZYVDO-SNVBAGLBSA-N	-2	0	337.394	-0.135	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001599908949	984960204	/nfs/dbraw/zinc/96/02/04/984960204.db2.gz	GOCIVRLRRGULTN-WMFXKJRFSA-N	-2	0	326.349	-0.121	20	0		EBADRL
CC(=O)NCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@H](C)C(=O)[O-]	ZINC001589139953	985448704	/nfs/dbraw/zinc/44/87/04/985448704.db2.gz	PITPVJXGUCDEGA-SNVBAGLBSA-N	-2	0	343.380	-0.779	20	0		EBADRL
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N1CC(O)(C(=O)[O-])C1	ZINC001599941265	985457420	/nfs/dbraw/zinc/45/74/20/985457420.db2.gz	MLIMULBIHWDOBN-UHFFFAOYSA-N	-2	0	345.315	-0.852	20	0		EBADRL
CCOCCn1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn1	ZINC001596945588	986086903	/nfs/dbraw/zinc/08/69/03/986086903.db2.gz	KVTAJGBWVPAXNI-UHFFFAOYSA-N	-2	0	333.366	-0.156	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1	ZINC001596968938	986187310	/nfs/dbraw/zinc/18/73/10/986187310.db2.gz	SJZQOLUNICBQMN-UHFFFAOYSA-N	-2	0	327.268	-0.354	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1nc(C2CC2)nn1C	ZINC001589450437	986840590	/nfs/dbraw/zinc/84/05/90/986840590.db2.gz	DCYWCHQSDQTYRG-HTQZYQBOSA-N	-2	0	344.393	-0.210	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCS1(=O)=O	ZINC001589454353	986878078	/nfs/dbraw/zinc/87/80/78/986878078.db2.gz	VGDJLAGPAVHXIR-CIUDSAMLSA-N	-2	0	341.407	-0.491	20	0		EBADRL
C[C@@H](C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC001589454441	986878993	/nfs/dbraw/zinc/87/89/93/986878993.db2.gz	WEGZCLAWRAMBGZ-SSDOTTSWSA-N	-2	0	330.318	-0.291	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(N)=O)C1	ZINC001589454440	986879203	/nfs/dbraw/zinc/87/92/03/986879203.db2.gz	WBCNRBCWKVZTBO-XKNYDFJKSA-N	-2	0	334.394	-0.167	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1	ZINC001589490482	987054314	/nfs/dbraw/zinc/05/43/14/987054314.db2.gz	BMCPZDUNSLWNMP-MRVPVSSYSA-N	-2	0	331.350	-0.233	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccnn1C1CCOCC1	ZINC001589490485	987054612	/nfs/dbraw/zinc/05/46/12/987054612.db2.gz	BMCPZDUNSLWNMP-QMMMGPOBSA-N	-2	0	331.350	-0.233	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1Cc2ccccc2C(=O)O1	ZINC001589493010	987067218	/nfs/dbraw/zinc/06/72/18/987067218.db2.gz	BCOMLYSQSUFFLX-XVKPBYJWSA-N	-2	0	327.314	-0.313	20	0		EBADRL
CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@]1(C(=O)[O-])CCOC1	ZINC001597245661	987224927	/nfs/dbraw/zinc/22/49/27/987224927.db2.gz	KUAJTIKKKSDUBJ-SNVBAGLBSA-N	-2	0	328.412	-0.180	20	0		EBADRL
CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC001597246423	987227581	/nfs/dbraw/zinc/22/75/81/987227581.db2.gz	SGGGSFZYHWDUBO-YUMQZZPRSA-N	-2	0	343.427	-0.694	20	0		EBADRL
CCn1ncc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1	ZINC001597953806	989954155	/nfs/dbraw/zinc/95/41/55/989954155.db2.gz	UUDSYHNYOWYKRQ-UHFFFAOYSA-N	-2	0	331.335	-0.429	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1	ZINC001599683320	990947046	/nfs/dbraw/zinc/94/70/46/990947046.db2.gz	LTKVDJQBAYHUBC-IJSAXESFSA-N	-3	0	349.386	-0.278	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](CF)C(=O)[O-])c1	ZINC001598277430	991160432	/nfs/dbraw/zinc/16/04/32/991160432.db2.gz	ZJQZFTMXOKVSGI-VIFPVBQESA-N	-2	0	334.325	-0.205	20	0		EBADRL
COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001599738861	991817167	/nfs/dbraw/zinc/81/71/67/991817167.db2.gz	MDUJWQGLTVKNTO-UHFFFAOYSA-N	-2	0	342.337	-0.227	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001598470179	992014063	/nfs/dbraw/zinc/01/40/63/992014063.db2.gz	NXYNMKTVECGKLA-NSHDSACASA-N	-2	0	346.361	-0.371	20	0		EBADRL
C[C@@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001593175917	994050892	/nfs/dbraw/zinc/05/08/92/994050892.db2.gz	HBBKYLOKYIGKFC-SECBINFHSA-N	-2	0	328.346	-0.274	20	0		EBADRL
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2c[n-]n3c2nccc3=O)C1	ZINC001598776739	995937673	/nfs/dbraw/zinc/93/76/73/995937673.db2.gz	JMUDGHXHNBILAN-PSASIEDQSA-N	-2	0	348.315	-0.499	20	0		EBADRL
COC[C@@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)C(=O)[O-]	ZINC001599178060	996890010	/nfs/dbraw/zinc/89/00/10/996890010.db2.gz	ILTLGGRCOJCPRT-LLVKDONJSA-N	-2	0	347.345	-0.082	20	0		EBADRL
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1	ZINC001599280853	996895223	/nfs/dbraw/zinc/89/52/23/996895223.db2.gz	KRMURBOSBNIBDU-HQJQHLMTSA-N	-2	0	347.345	-0.357	20	0		EBADRL
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)C1	ZINC001599193635	997176485	/nfs/dbraw/zinc/17/64/85/997176485.db2.gz	ALUYBCLRDULBQY-ZDUSSCGKSA-N	-2	0	344.345	-0.108	20	0		EBADRL
COc1cc(OC)c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1OC	ZINC001599447613	998034567	/nfs/dbraw/zinc/03/45/67/998034567.db2.gz	OTYUVPBEEUHCHJ-UHFFFAOYSA-N	-2	0	333.318	-0.143	20	0		EBADRL
CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-]	ZINC001599138529	998086325	/nfs/dbraw/zinc/08/63/25/998086325.db2.gz	KUNFZXRSAULGRE-UKKRHICBSA-N	-2	0	337.394	-0.017	20	0		EBADRL
CO[C@@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-]	ZINC001599138528	998086511	/nfs/dbraw/zinc/08/65/11/998086511.db2.gz	KUNFZXRSAULGRE-LNFKQOIKSA-N	-2	0	337.394	-0.017	20	0		EBADRL
COc1cc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])ccc1C(=O)[O-]	ZINC001599457478	998212300	/nfs/dbraw/zinc/21/23/00/998212300.db2.gz	HRFYRRULIBYYHZ-JTQLQIEISA-N	-2	0	345.329	-0.133	20	0		EBADRL
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCCC(=O)NCCC(=O)[O-])C1	ZINC001594210191	998816772	/nfs/dbraw/zinc/81/67/72/998816772.db2.gz	PHGICKFXOBBWED-VHSXEESVSA-N	-2	0	329.353	-0.280	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(C)(C)[C@@H](O)C(=O)[O-]	ZINC001599017112	998948438	/nfs/dbraw/zinc/94/84/38/998948438.db2.gz	OKJOTVLDXLLEPR-LURJTMIESA-N	-2	0	338.363	-0.568	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@H]1CCOC1	ZINC001599028346	999032488	/nfs/dbraw/zinc/03/24/88/999032488.db2.gz	LIKDXYBUJYCYPV-XVKPBYJWSA-N	-2	0	333.318	-0.166	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)C[C@@H](C(=O)[O-])O1	ZINC001594454377	999656576	/nfs/dbraw/zinc/65/65/76/999656576.db2.gz	NGDQXLBTGMMMGZ-YTWAJWBKSA-N	-2	0	342.348	-0.744	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1=O	ZINC001362122050	1131519773	/nfs/dbraw/zinc/51/97/73/1131519773.db2.gz	FZVYXUYRGJMEDJ-NSHDSACASA-N	-2	0	335.368	-0.512	20	0		EBADRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1nn2c(c1Br)CCC2	ZINC001362948336	1131720199	/nfs/dbraw/zinc/72/01/99/1131720199.db2.gz	HHBLPPWDLQQCJM-UHFFFAOYSA-N	-2	0	329.114	-0.022	20	0		EBADRL
CC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)[C@@H](CC)CN1Cc1n[nH]c(=O)[n-]1	ZINC000091622475	377016147	/nfs/dbraw/zinc/01/61/47/377016147.db2.gz	CZOQIURMDBTVIG-AOOOYVTPSA-N	-2	0	336.400	-0.616	20	0		EBADRL
CCn1cnc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000387714591	377479086	/nfs/dbraw/zinc/47/90/86/377479086.db2.gz	RTKOCEGINKJGIL-IUCAKERBSA-N	-2	0	331.350	-0.301	20	0		EBADRL
CCC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274100037	379672781	/nfs/dbraw/zinc/67/27/81/379672781.db2.gz	SJOWGWVUGCWNKM-MRVPVSSYSA-N	-2	0	342.333	-0.032	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1	ZINC000274919252	379722709	/nfs/dbraw/zinc/72/27/09/379722709.db2.gz	ATOAEQGYPJMPEZ-UHFFFAOYSA-N	-2	0	337.331	-0.305	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274922987	379723470	/nfs/dbraw/zinc/72/34/70/379723470.db2.gz	BNMBOOHCKBGLFP-LURJTMIESA-N	-2	0	349.321	-0.960	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000274989443	379729545	/nfs/dbraw/zinc/72/95/45/379729545.db2.gz	MMGHEXPNWLOIJW-LURJTMIESA-N	-2	0	334.306	-0.745	20	0		EBADRL
CN(C)C(=O)Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000340088135	380018041	/nfs/dbraw/zinc/01/80/41/380018041.db2.gz	HSHLMEDJEAAXAE-UHFFFAOYSA-N	-2	0	341.349	-0.202	20	0		EBADRL
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000547549632	380143912	/nfs/dbraw/zinc/14/39/12/380143912.db2.gz	BEUFJSLBRNNMFQ-CIUDSAMLSA-N	-2	0	337.350	-0.435	20	0		EBADRL
C[C@@H]1CN(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])C[C@@H](C)O1	ZINC000547935385	380172520	/nfs/dbraw/zinc/17/25/20/380172520.db2.gz	BYNWLVKNDMKYEF-KBVBSXBZSA-N	-2	0	338.382	-0.504	20	0		EBADRL
CCn1cncc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000548250001	380193309	/nfs/dbraw/zinc/19/33/09/380193309.db2.gz	JCMPIMIIPCJDDB-IUCAKERBSA-N	-2	0	331.350	-0.301	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)c1	ZINC000548245004	380193455	/nfs/dbraw/zinc/19/34/55/380193455.db2.gz	XIEKXUKZEBSODA-ZDUSSCGKSA-N	-2	0	343.361	-0.088	20	0		EBADRL
COCCN(CCOC)C(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000551593426	380268009	/nfs/dbraw/zinc/26/80/09/380268009.db2.gz	XJGXXXLIYFOCFO-WDEREUQCSA-N	-2	0	332.353	-0.192	20	0		EBADRL
CCc1noc2ncc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc12	ZINC000548536758	380212764	/nfs/dbraw/zinc/21/27/64/380212764.db2.gz	SCVCZESNGDBCSZ-UHFFFAOYSA-N	-2	0	343.317	-0.055	20	0		EBADRL
Cc1noc(=NC(=O)c2cccc(C(=O)N=c3[n-]c(C)no3)n2)[n-]1	ZINC000615711895	381162456	/nfs/dbraw/zinc/16/24/56/381162456.db2.gz	SYLUFEDYPJBYAL-UHFFFAOYSA-N	-2	0	329.276	-0.187	20	0		EBADRL
Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C(N)=O	ZINC000354240198	382222135	/nfs/dbraw/zinc/22/21/35/382222135.db2.gz	UGFHSFWYGJAHMI-UHFFFAOYSA-N	-2	0	327.322	-0.345	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-]	ZINC000298862386	155138265	/nfs/dbraw/zinc/13/82/65/155138265.db2.gz	PVSZBZVQGMCUGI-LURJTMIESA-N	-2	0	339.757	-0.323	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000227940881	154165057	/nfs/dbraw/zinc/16/50/57/154165057.db2.gz	ARIMISKWABRHTK-MRVPVSSYSA-N	-2	0	325.339	-0.433	20	0		EBADRL
C[C@@H](CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000274937931	154629638	/nfs/dbraw/zinc/62/96/38/154629638.db2.gz	QHWLUOOLMOFQEX-YFKPBYRVSA-N	-2	0	328.306	-0.565	20	0		EBADRL
Cc1cc2c(cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])OCO2	ZINC000279893233	154753301	/nfs/dbraw/zinc/75/33/01/154753301.db2.gz	CBYUUYNQISWEIY-SSDOTTSWSA-N	-2	0	331.302	-0.070	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])CCC1	ZINC000291054724	155013870	/nfs/dbraw/zinc/01/38/70/155013870.db2.gz	ZUNIWDAHOFIEMT-QMMMGPOBSA-N	-2	0	337.350	-0.575	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000530139899	420779481	/nfs/dbraw/zinc/77/94/81/420779481.db2.gz	UFPHCJIHSWJNNY-UHFFFAOYSA-N	-2	0	345.255	-0.401	20	0		EBADRL
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275070928	420818423	/nfs/dbraw/zinc/81/84/23/420818423.db2.gz	GYLRNVOJFZEYBJ-DTWKUNHWSA-N	-2	0	331.350	-0.177	20	0		EBADRL
CCn1nccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275202523	288766273	/nfs/dbraw/zinc/76/62/73/288766273.db2.gz	YZTJHHMPLMJEQT-DTWKUNHWSA-N	-2	0	331.350	-0.301	20	0		EBADRL
CCn1cc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000681588753	546307907	/nfs/dbraw/zinc/30/79/07/546307907.db2.gz	JRVUPCJGDIXFHT-GFCCVEGCSA-N	-2	0	331.350	-0.157	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])c1	ZINC000737713130	582684148	/nfs/dbraw/zinc/68/41/48/582684148.db2.gz	LWDGUQYYZALQSJ-UHFFFAOYSA-N	-2	0	330.318	-0.064	20	0		EBADRL
O=C([O-])[C@@H]1CC(C(=O)NCc2n[nH]c(=O)[n-]2)=NN1c1ccccc1	ZINC000819194825	583755957	/nfs/dbraw/zinc/75/59/57/583755957.db2.gz	LEHTYNSZQSZVML-JTQLQIEISA-N	-2	0	330.304	-0.154	20	0		EBADRL
CCn1ncn([N-]C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c1=O	ZINC000820388369	583772471	/nfs/dbraw/zinc/77/24/71/583772471.db2.gz	OIQOZQOOLRAXQY-UHFFFAOYSA-N	-2	0	343.340	-0.041	20	0		EBADRL
CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824231129	583842621	/nfs/dbraw/zinc/84/26/21/583842621.db2.gz	FFQPBRBRTYJYRP-SNVBAGLBSA-N	-2	0	349.409	-0.263	20	0		EBADRL
C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000825817910	583867446	/nfs/dbraw/zinc/86/74/46/583867446.db2.gz	UGDCWKXZVGVESC-BDAKNGLRSA-N	-2	0	334.336	-0.282	20	0		EBADRL
CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827024899	583914190	/nfs/dbraw/zinc/91/41/90/583914190.db2.gz	MGJBLGNTDYOWHL-SNVBAGLBSA-N	-2	0	349.409	-0.167	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(CNC(N)=O)cc1	ZINC000827304408	583918717	/nfs/dbraw/zinc/91/87/17/583918717.db2.gz	TXXPHMVVXKPMFM-QMMMGPOBSA-N	-2	0	343.361	-0.229	20	0		EBADRL
CCc1ncncc1C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827642926	583925496	/nfs/dbraw/zinc/92/54/96/583925496.db2.gz	NXWDLGMHIUFHDE-MRVPVSSYSA-N	-2	0	328.350	-0.149	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000828904888	583948461	/nfs/dbraw/zinc/94/84/61/583948461.db2.gz	XXULRMVHUOIVNS-DTWKUNHWSA-N	-2	0	340.423	-0.047	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1	ZINC000828963919	583949232	/nfs/dbraw/zinc/94/92/32/583949232.db2.gz	HGZBRECBIBEIGU-UWVGGRQHSA-N	-2	0	337.398	-0.248	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000829002312	583949908	/nfs/dbraw/zinc/94/99/08/583949908.db2.gz	RDINESBUVDXJPX-GFCCVEGCSA-N	-2	0	338.382	-0.515	20	0		EBADRL
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000830847215	583971379	/nfs/dbraw/zinc/97/13/79/583971379.db2.gz	WDAWCSLAVKZNJW-SNVBAGLBSA-N	-2	0	344.393	-0.222	20	0		EBADRL
Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000830847214	583971423	/nfs/dbraw/zinc/97/14/23/583971423.db2.gz	WDAWCSLAVKZNJW-JTQLQIEISA-N	-2	0	344.393	-0.222	20	0		EBADRL
Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cn1	ZINC000830999279	583973966	/nfs/dbraw/zinc/97/39/66/583973966.db2.gz	HJUDIZYPVPRMRU-MXQLGCADSA-N	-2	0	328.350	-0.368	20	0		EBADRL
COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000831067783	583975705	/nfs/dbraw/zinc/97/57/05/583975705.db2.gz	WAZNWCFQQUJBEG-SECBINFHSA-N	-2	0	335.272	-0.224	20	0		EBADRL
COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000831124221	583976814	/nfs/dbraw/zinc/97/68/14/583976814.db2.gz	NJJGIQJVOPQWEE-MRVPVSSYSA-N	-2	0	336.366	-0.657	20	0		EBADRL
NC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)c1	ZINC000831234655	583979634	/nfs/dbraw/zinc/97/96/34/583979634.db2.gz	TVIVGGFTLWIFKU-SNVBAGLBSA-N	-2	0	341.345	-0.403	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c[nH]1	ZINC000831348387	583981858	/nfs/dbraw/zinc/98/18/58/583981858.db2.gz	HVSIRTKKROYGRF-UHFFFAOYSA-N	-2	0	328.306	-0.117	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c[nH]1	ZINC000831354215	583981864	/nfs/dbraw/zinc/98/18/64/583981864.db2.gz	WKFAUENGEZRBSC-UHFFFAOYSA-N	-2	0	329.294	-0.722	20	0		EBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)N1CCCCC1	ZINC000831387934	583982317	/nfs/dbraw/zinc/98/23/17/583982317.db2.gz	QYMCVCRRZWFRDT-SNVBAGLBSA-N	-2	0	335.382	-0.398	20	0		EBADRL
O=C([O-])N1CCO[C@@H](CC(=O)[N-]S(=O)(=O)CC(F)(F)F)C1	ZINC000831387515	583982425	/nfs/dbraw/zinc/98/24/25/583982425.db2.gz	LOWJXXGEYZIUQV-LURJTMIESA-N	-2	0	334.272	-0.236	20	0		EBADRL
O=C([O-])N1CCC[C@H](OCC(=O)N2CCO[C@H](c3nnn[n-]3)C2)C1	ZINC000831998763	583994431	/nfs/dbraw/zinc/99/44/31/583994431.db2.gz	WBBGDDJNRAKJKS-UWVGGRQHSA-N	-2	0	340.340	-0.741	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ncn(CC(=O)[O-])n1	ZINC000833014856	584002926	/nfs/dbraw/zinc/00/29/26/584002926.db2.gz	ZVSCGGOIKXKTGV-UHFFFAOYSA-N	-2	0	334.745	-0.141	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cn1	ZINC000833681496	584013579	/nfs/dbraw/zinc/01/35/79/584013579.db2.gz	AHBQHVJXKWBOIO-UHFFFAOYSA-N	-2	0	325.306	-0.490	20	0		EBADRL
O=C(CCOC1CN(C(=O)[O-])C1)[N-]S(=O)(=O)c1ccccn1	ZINC000833993524	584023476	/nfs/dbraw/zinc/02/34/76/584023476.db2.gz	UBBHMQHMIOALDB-UHFFFAOYSA-N	-2	0	329.334	-0.345	20	0		EBADRL
CN(C)S(=O)(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849233072	584167180	/nfs/dbraw/zinc/16/71/80/584167180.db2.gz	WGUHPBCCMRIKDG-RNFRBKRXSA-N	-2	0	347.315	-0.611	20	0		EBADRL
Cn1nnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC000852732330	584214850	/nfs/dbraw/zinc/21/48/50/584214850.db2.gz	BAAAFHFGXYBDMS-HTRCEHHLSA-N	-2	0	336.274	-0.694	20	0		EBADRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000013028183	584310778	/nfs/dbraw/zinc/31/07/78/584310778.db2.gz	GTMLLHRYNJOPQD-QMMMGPOBSA-N	-3	0	331.302	-0.101	20	0		EBADRL
O=C([O-])CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000013028181	584310894	/nfs/dbraw/zinc/31/08/94/584310894.db2.gz	ZNJFSNBPSYWJSV-JTQLQIEISA-N	-3	0	345.329	-0.090	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)s1	ZINC000863954782	584380795	/nfs/dbraw/zinc/38/07/95/584380795.db2.gz	MTHOBJNOOCMUNC-QMMMGPOBSA-N	-2	0	332.359	-0.237	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)Cc1noc2ccccc12	ZINC000863953419	584380901	/nfs/dbraw/zinc/38/09/01/584380901.db2.gz	PLSJAHMLVLPJOC-UHFFFAOYSA-N	-2	0	328.302	-0.125	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)CCOCC1	ZINC000863958243	584381256	/nfs/dbraw/zinc/38/12/56/584381256.db2.gz	QQKDQHVMUAIUGY-JTQLQIEISA-N	-2	0	335.378	-0.117	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])nc1	ZINC000863957607	584381284	/nfs/dbraw/zinc/38/12/84/584381284.db2.gz	QNPHPEANFFAANT-UHFFFAOYSA-N	-2	0	330.318	-0.072	20	0		EBADRL
CCOC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863959531	584381546	/nfs/dbraw/zinc/38/15/46/584381546.db2.gz	ICLFJHCYNVFMAM-UHFFFAOYSA-N	-2	0	345.329	-0.231	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CCC1	ZINC000863964398	584382181	/nfs/dbraw/zinc/38/21/81/584382181.db2.gz	UEBUDPFJRXVMOR-SECBINFHSA-N	-2	0	343.361	-0.096	20	0		EBADRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000739546365	599728180	/nfs/dbraw/zinc/72/81/80/599728180.db2.gz	HMTVPDVQTJSSTA-BDAKNGLRSA-N	-2	0	327.314	-0.017	20	0		EBADRL
NC(=O)COc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000739160053	600460733	/nfs/dbraw/zinc/46/07/33/600460733.db2.gz	FTXFPPNZBTXOBJ-UHFFFAOYSA-N	-2	0	344.345	-0.525	20	0		EBADRL
C[C@H](NC(=O)[O-])C1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000739009504	602516335	/nfs/dbraw/zinc/51/63/35/602516335.db2.gz	UNKPFQRPNYEZIZ-VIFPVBQESA-N	-2	0	348.363	-0.034	20	0		EBADRL
CCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000739320384	602669747	/nfs/dbraw/zinc/66/97/47/602669747.db2.gz	PEMUNTNZGWMCTF-QMMMGPOBSA-N	-2	0	346.365	-0.635	20	0		EBADRL
O=C([O-])N1CCCc2cc(NC(=O)C(=O)NCc3nnn[n-]3)ccc21	ZINC000740452752	602763626	/nfs/dbraw/zinc/76/36/26/602763626.db2.gz	QCVYEMKHQXAGPU-UHFFFAOYSA-N	-2	0	345.319	-0.115	20	0		EBADRL
O=C([O-])N1CCc2ccc(NC(=O)C(=O)NCc3nnn[n-]3)cc2C1	ZINC000740452616	602763663	/nfs/dbraw/zinc/76/36/63/602763663.db2.gz	OUOVRRGELNWHJA-UHFFFAOYSA-N	-2	0	345.319	-0.509	20	0		EBADRL
CC(C)NC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000062930797	649962871	/nfs/dbraw/zinc/96/28/71/649962871.db2.gz	MRTWFPFHCVLJGW-UHFFFAOYSA-N	-3	0	345.333	-0.016	20	0		EBADRL
CS(=O)(=O)Cc1noc(=NC(=O)c2cc3c(cc2[O-])OCO3)[n-]1	ZINC000436540957	650010362	/nfs/dbraw/zinc/01/03/62/650010362.db2.gz	YKUDLESZSHHKOL-UHFFFAOYSA-N	-2	0	341.301	-0.277	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O	ZINC000739691662	650037546	/nfs/dbraw/zinc/03/75/46/650037546.db2.gz	JLNYPRSCHUHVBH-UHFFFAOYSA-N	-2	0	334.350	-0.774	20	0		EBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1c(C)n(C)nc1C(=O)[O-]	ZINC000912558906	650209190	/nfs/dbraw/zinc/20/91/90/650209190.db2.gz	RXKZONKANVYRJN-UHFFFAOYSA-N	-2	0	343.321	-0.263	20	0		EBADRL
O=C(NCCN(CCO)C(=O)c1ncccc1O)c1cnc[nH]c1=O	ZINC001057413048	737233252	/nfs/dbraw/zinc/23/32/52/737233252.db2.gz	FXQZYANWZQNQSF-UHFFFAOYSA-N	-2	0	347.331	-0.853	20	0		EBADRL
COC(=O)c1ncccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001222747451	811659227	/nfs/dbraw/zinc/65/92/27/811659227.db2.gz	VCVOFDZBOMNBDM-LDYMZIIASA-N	-2	0	341.272	-0.552	20	0		EBADRL
CC(=O)Nc1nc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cs1	ZINC001222879422	811665279	/nfs/dbraw/zinc/66/52/79/811665279.db2.gz	CUEZAKYSZUNGSX-APPZFPTMSA-N	-2	0	346.317	-0.319	20	0		EBADRL
CC(C)(C)c1nc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])no1	ZINC001223188250	811686715	/nfs/dbraw/zinc/68/67/15/811686715.db2.gz	IHUJXGGVDCQUSO-HZGVNTEJSA-N	-2	0	330.293	-0.053	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(-n2cncn2)cc1)[C@H](O)C(=O)[O-]	ZINC001223383763	811701610	/nfs/dbraw/zinc/70/16/10/811701610.db2.gz	FKJADLUVNKSMBN-AAEUAGOBSA-N	-2	0	349.299	-0.153	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1nccc2c1OCO2)[C@H](O)C(=O)[O-]	ZINC001223758119	811728183	/nfs/dbraw/zinc/72/81/83/811728183.db2.gz	YPHKXNQMXTXUEH-WKEGUHRASA-N	-2	0	327.245	-0.610	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc(-n2nccn2)cc1)[C@H](O)C(=O)[O-]	ZINC001224188918	811748575	/nfs/dbraw/zinc/74/85/75/811748575.db2.gz	KIGUCTJBUORKSJ-YPMHNXCESA-N	-2	0	349.299	-0.153	20	0		EBADRL
CCOC(=O)c1cc(COC(=O)[C@H](O)COP(=O)([O-])[O-])on1	ZINC001224259876	811751474	/nfs/dbraw/zinc/75/14/74/811751474.db2.gz	GFHKKKVPYWONPT-MRVPVSSYSA-N	-2	0	339.193	-0.635	20	0		EBADRL
CCOC(=O)c1cc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])on1	ZINC001224259545	811751840	/nfs/dbraw/zinc/75/18/40/811751840.db2.gz	AJPGNMQUJGJQPF-XCBNKYQSSA-N	-2	0	345.260	-0.569	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)OCc1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001224331867	811756952	/nfs/dbraw/zinc/75/69/52/811756952.db2.gz	MXUIMRINQYMVTP-GXFFZTMASA-N	-2	0	340.284	-0.191	20	0		EBADRL
CC(C)(C)OC(=O)NCCOC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224337939	811757631	/nfs/dbraw/zinc/75/76/31/811757631.db2.gz	QMJZRTPRYJLKFU-APPZFPTMSA-N	-2	0	335.309	-0.409	20	0		EBADRL
CC(C)(C)OC(=O)/C=C/COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001224997784	811787591	/nfs/dbraw/zinc/78/75/91/811787591.db2.gz	MANDUYMCBXGVOL-WTSVBCDHSA-N	-2	0	326.238	-0.102	20	0		EBADRL
CC(=O)N1CCC[C@H](COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])C1	ZINC001225172298	811796869	/nfs/dbraw/zinc/79/68/69/811796869.db2.gz	IRICRHHFNWVKTN-NHCYSSNCSA-N	-2	0	331.321	-0.676	20	0		EBADRL
CC(=O)N1CCC[C@H](COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C1	ZINC001225172297	811797174	/nfs/dbraw/zinc/79/71/74/811797174.db2.gz	IRICRHHFNWVKTN-JBLDHEPKSA-N	-2	0	331.321	-0.676	20	0		EBADRL
NC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001225318443	811802391	/nfs/dbraw/zinc/80/23/91/811802391.db2.gz	APACXLWLWQOEGK-BXKDBHETSA-N	-2	0	325.273	-0.844	20	0		EBADRL
Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2c1NC(=O)C2	ZINC001225412449	811808798	/nfs/dbraw/zinc/80/87/98/811808798.db2.gz	XWZXJQRMLOPSLT-TVQRCGJNSA-N	-2	0	337.284	-0.069	20	0		EBADRL
CN1C(=O)Cc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ccc21	ZINC001225428745	811808968	/nfs/dbraw/zinc/80/89/68/811808968.db2.gz	YJKGYCBMRFGILQ-TVQRCGJNSA-N	-2	0	337.284	-0.353	20	0		EBADRL
NC(=O)c1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225520541	811816268	/nfs/dbraw/zinc/81/62/68/811816268.db2.gz	LPDBSWQHVNRHPM-OIBJUYFYSA-N	-2	0	345.691	-0.119	20	0		EBADRL
Cn1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1C(F)(F)F	ZINC001226242223	811854404	/nfs/dbraw/zinc/85/44/04/811854404.db2.gz	KUTBXTHXCYAKSE-VHWMUFPASA-N	-2	0	340.210	-0.119	20	0		EBADRL
CCOC(=O)c1cn(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226444948	811865117	/nfs/dbraw/zinc/86/51/17/811865117.db2.gz	UDIMFTQSQWSPIJ-HZGVNTEJSA-N	-2	0	344.276	-0.961	20	0		EBADRL
CCOC(=O)c1cn(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226444959	811865582	/nfs/dbraw/zinc/86/55/82/811865582.db2.gz	UDIMFTQSQWSPIJ-RCOVLWMOSA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1NC(=O)CO2)[C@@H](O)C(=O)[O-]	ZINC001226633829	811874529	/nfs/dbraw/zinc/87/45/29/811874529.db2.gz	KLJURQDGJNSRAX-SREIQFSDSA-N	-2	0	339.256	-0.541	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2ccccc21)[C@H](O)C(=O)[O-]	ZINC001226980319	811894836	/nfs/dbraw/zinc/89/48/36/811894836.db2.gz	IBGYRLYFWPYAIL-XVKPBYJWSA-N	-3	0	336.256	-0.223	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001227015492	811896209	/nfs/dbraw/zinc/89/62/09/811896209.db2.gz	OOLWBRUGMKDMTH-CPCISQLKSA-N	-2	0	342.256	-0.379	20	0		EBADRL
COc1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])cc(=O)[n-]1	ZINC001227000531	811896814	/nfs/dbraw/zinc/89/68/14/811896814.db2.gz	MIGDFTCYYWDJIB-VIFPVBQESA-N	-2	0	349.365	-0.842	20	0		EBADRL
Cc1nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl	ZINC001227112649	811903991	/nfs/dbraw/zinc/90/39/91/811903991.db2.gz	NJAVOOHSNVKGAB-FBCQKBJTSA-N	-3	0	334.668	-0.414	20	0		EBADRL
Cc1nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1Cl	ZINC001227112650	811904518	/nfs/dbraw/zinc/90/45/18/811904518.db2.gz	NJAVOOHSNVKGAB-FFWSUHOLSA-N	-3	0	334.668	-0.414	20	0		EBADRL
O=C(Oc1cnc(Br)nc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227758719	811940319	/nfs/dbraw/zinc/94/03/19/811940319.db2.gz	CMHZVXJQXGCEPC-RXMQYKEDSA-N	-2	0	343.026	-0.385	20	0		EBADRL
C[C@H]1OCc2c1nc(=O)[n-]c2OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001227717094	811940426	/nfs/dbraw/zinc/94/04/26/811940426.db2.gz	XHSXCRXFDCILGN-INEUFUBQSA-N	-3	0	336.193	-0.851	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001227827280	811944049	/nfs/dbraw/zinc/94/40/49/811944049.db2.gz	YXWOFUSUSINTSV-CDUCUWFYSA-N	-2	0	343.244	-0.984	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)c2ccccc21)[C@H](O)C(=O)[O-]	ZINC001228274232	811972274	/nfs/dbraw/zinc/97/22/74/811972274.db2.gz	PTNCUZIVTJTHNZ-SCZZXKLOSA-N	-2	0	336.256	-0.223	20	0		EBADRL
COC(=O)Cc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228268723	811972944	/nfs/dbraw/zinc/97/29/44/811972944.db2.gz	LFDVPUABBPHFNS-NOZJJQNGSA-N	-2	0	340.284	-0.156	20	0		EBADRL
Cc1noc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c12	ZINC001228308108	811975104	/nfs/dbraw/zinc/97/51/04/811975104.db2.gz	VKBABZANAWDKFY-YLWLKBPMSA-N	-2	0	325.233	-0.632	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2[nH]ccc21)[C@H](O)C(=O)[O-]	ZINC001228529248	811986260	/nfs/dbraw/zinc/98/62/60/811986260.db2.gz	SGAAEMDKDBTITN-FSPLSTOPSA-N	-2	0	341.301	-0.312	20	0		EBADRL
CCOC(=O)c1cnoc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228720194	811995862	/nfs/dbraw/zinc/99/58/62/811995862.db2.gz	XXGVUVIKMUQRDP-YLWLKBPMSA-N	-2	0	331.233	-0.707	20	0		EBADRL
CCOC(=O)c1cnoc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228720192	811995947	/nfs/dbraw/zinc/99/59/47/811995947.db2.gz	XXGVUVIKMUQRDP-XNCJUZBTSA-N	-2	0	331.233	-0.707	20	0		EBADRL
COC(=O)c1nc(C)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228928977	812006447	/nfs/dbraw/zinc/00/64/47/812006447.db2.gz	DLKSCSZSQSRZPF-WRWORJQWSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C(Oc1cc(O)cc2oc(=O)ccc12)[C@H](O)COP(=O)([O-])[O-]	ZINC001229132823	812013961	/nfs/dbraw/zinc/01/39/61/812013961.db2.gz	XVUVAFVCVRQCRJ-MRVPVSSYSA-N	-2	0	346.184	-0.126	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(C(F)(F)F)cnn1)[C@@H](O)C(=O)[O-]	ZINC001229746322	812054949	/nfs/dbraw/zinc/05/49/49/812054949.db2.gz	MOJXCVPRWZHYIE-YLWLKBPMSA-N	-2	0	338.194	-0.063	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccccc1-c1nn[nH]n1)[C@H](O)C(=O)[O-]	ZINC001229950626	812065055	/nfs/dbraw/zinc/06/50/55/812065055.db2.gz	NDPPTJSKMDWAEW-XCBNKYQSSA-N	-2	0	336.260	-0.692	20	0		EBADRL
COc1cnc(SC)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230034361	812070604	/nfs/dbraw/zinc/07/06/04/812070604.db2.gz	HKTYMZMNWAYUMI-SVGQVSJJSA-N	-2	0	346.317	-0.351	20	0		EBADRL
COC(=O)c1cccc(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230288186	812098685	/nfs/dbraw/zinc/09/86/85/812098685.db2.gz	YVIWFXKXFDJIKV-OIBJUYFYSA-N	-2	0	342.256	-0.379	20	0		EBADRL
O=C(Oc1[nH]c(=O)nc2c1SCC2)[C@H](O)COP(=O)([O-])[O-]	ZINC001230792575	812234807	/nfs/dbraw/zinc/23/48/07/812234807.db2.gz	RGVBGTGPWXSRCM-RXMQYKEDSA-N	-2	0	338.234	-0.794	20	0		EBADRL
COc1ccc(C(N)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001231291324	812289620	/nfs/dbraw/zinc/28/96/20/812289620.db2.gz	VNTFRNMKBDQPLZ-KWQFWETISA-N	-2	0	341.272	-0.764	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(cc[nH]c2=O)c1)[C@@H](O)C(=O)[O-]	ZINC001233725589	812336474	/nfs/dbraw/zinc/33/64/74/812336474.db2.gz	OYNWHMBETCEEEE-ZYHUDNBSSA-N	-2	0	335.268	-0.030	20	0		EBADRL
CNC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001233983695	812373151	/nfs/dbraw/zinc/37/31/51/812373151.db2.gz	XZGFLMWMPLZIGC-MWLCHTKSSA-N	-2	0	325.273	-0.512	20	0		EBADRL
NC(=O)/C=C/c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001234158569	812390639	/nfs/dbraw/zinc/39/06/39/812390639.db2.gz	LVGHRNUMSDPOMC-HDMKULJXSA-N	-2	0	347.216	-0.734	20	0		EBADRL
COCc1ncc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001234881042	812448028	/nfs/dbraw/zinc/44/80/28/812448028.db2.gz	PCBRWLGBYPXYFL-SSDLBLMSSA-N	-2	0	332.240	-0.796	20	0		EBADRL
CNS(=O)(=O)CCNC(=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189900144	834207153	/nfs/dbraw/zinc/20/71/53/834207153.db2.gz	RZZIZVHTTWDXDW-UHFFFAOYSA-N	-2	0	338.278	-0.563	20	0		EBADRL
O=C([O-])CCC(=O)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001192750626	834727245	/nfs/dbraw/zinc/72/72/45/834727245.db2.gz	BDHBYVVIDXIAJS-UHFFFAOYSA-N	-2	0	345.329	-0.138	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccc(N2CCCNC2=O)nc1	ZINC001198469981	835686939	/nfs/dbraw/zinc/68/69/39/835686939.db2.gz	HADFRNORNWPJTG-UHFFFAOYSA-N	-2	0	344.264	-0.160	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)Oc1ccccc1)[C@H](O)C(=O)[O-]	ZINC001209969311	837221427	/nfs/dbraw/zinc/22/14/27/837221427.db2.gz	QPNBZTBXIDQRCZ-CABZTGNLSA-N	-2	0	326.257	-0.328	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)Oc1ccccc1)[C@H](O)C(=O)[O-]	ZINC001209969460	837221952	/nfs/dbraw/zinc/22/19/52/837221952.db2.gz	QPNBZTBXIDQRCZ-SKDRFNHKSA-N	-2	0	326.257	-0.328	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O	ZINC001326565069	840136782	/nfs/dbraw/zinc/13/67/82/840136782.db2.gz	UKTYSSKGGPAKES-UHFFFAOYSA-N	-2	0	346.347	-0.326	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC001595107315	951886097	/nfs/dbraw/zinc/88/60/97/951886097.db2.gz	SLNSTXBCYAUIHN-UHFFFAOYSA-N	-2	0	328.346	-0.099	20	0		EBADRL
O=C([O-])c1cc(C(=O)Nc2ccn(CCN3CC[NH+]=C3[O-])n2)[n-]n1	ZINC001594814539	953844860	/nfs/dbraw/zinc/84/48/60/953844860.db2.gz	KWMSTSZHOCQSDB-UHFFFAOYSA-N	-2	0	333.308	-0.418	20	0		EBADRL
COC(=O)CC[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)[O-]	ZINC001593844521	955397553	/nfs/dbraw/zinc/39/75/53/955397553.db2.gz	WYHHKZMBXUWUMU-NSHDSACASA-N	-2	0	341.364	-0.103	20	0		EBADRL
C[C@H](Cc1cnn(C)c1)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001589083354	955879299	/nfs/dbraw/zinc/87/92/99/955879299.db2.gz	KVWCIOFTOFVILM-SSDOTTSWSA-N	-2	0	342.333	-0.210	20	0		EBADRL
O=C(CCCn1c(=O)[n-][nH]c1=O)NCC1(C(=O)[O-])CCOCC1	ZINC001594686717	956713606	/nfs/dbraw/zinc/71/36/06/956713606.db2.gz	FRYJPTBNCLVYDP-UHFFFAOYSA-N	-2	0	328.325	-0.533	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cn1	ZINC001604932107	972495128	/nfs/dbraw/zinc/49/51/28/972495128.db2.gz	NABRAVLURXLSNT-SECBINFHSA-N	-2	0	329.334	-0.621	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cn1	ZINC001604932110	972495508	/nfs/dbraw/zinc/49/55/08/972495508.db2.gz	NABRAVLURXLSNT-VIFPVBQESA-N	-2	0	329.334	-0.621	20	0		EBADRL
O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCC(O)(c3nnn[n-]3)CC2)CO1	ZINC001574680688	962584434	/nfs/dbraw/zinc/58/44/34/962584434.db2.gz	CXLSTIXNHFDEFL-UWVGGRQHSA-N	-2	0	339.352	-0.720	20	0		EBADRL
O=C([O-])CN1CCCC[C@@H](NC(=O)CSc2n[nH]c(=O)[n-]2)C1=O	ZINC001574722922	962788232	/nfs/dbraw/zinc/78/82/32/962788232.db2.gz	UMTHVRGTMBLAQT-SSDOTTSWSA-N	-2	0	343.365	-0.816	20	0		EBADRL
NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1	ZINC001605648969	974018931	/nfs/dbraw/zinc/01/89/31/974018931.db2.gz	MHQWLOZECCNEOV-MRVPVSSYSA-N	-2	0	328.346	-0.024	20	0		EBADRL
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CCCn1c(=O)[n-][nH]c1=O	ZINC001591703340	975554086	/nfs/dbraw/zinc/55/40/86/975554086.db2.gz	CYHHEEAVPLECIC-SECBINFHSA-N	-2	0	330.341	-0.194	20	0		EBADRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC001592359895	977844741	/nfs/dbraw/zinc/84/47/41/977844741.db2.gz	NIYGYNGMGYQALS-DTWKUNHWSA-N	-2	0	331.350	-0.240	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2occc2C(=O)[O-])C1=O	ZINC001595371830	980855627	/nfs/dbraw/zinc/85/56/27/980855627.db2.gz	PFZOSDUUVSOAEU-NSHDSACASA-N	-2	0	331.306	-0.108	20	0		EBADRL
C[C@H](O)[C@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC001599905090	984911667	/nfs/dbraw/zinc/91/16/67/984911667.db2.gz	QVOWFMCTEMKIEQ-IGJIYHIXSA-N	-2	0	339.272	-0.225	20	0		EBADRL
CCOC(=O)c1cnc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)[n-]1	ZINC001596740116	985042504	/nfs/dbraw/zinc/04/25/04/985042504.db2.gz	SNWCDSONTLYMSI-QMMMGPOBSA-N	-2	0	338.320	-0.152	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1	ZINC001596968079	986180543	/nfs/dbraw/zinc/18/05/43/986180543.db2.gz	JFFFCKAJDGIARR-UHFFFAOYSA-N	-2	0	339.304	-0.728	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C	ZINC001596968412	986183087	/nfs/dbraw/zinc/18/30/87/986183087.db2.gz	LYXAQHJVIYXUGT-SECBINFHSA-N	-2	0	347.368	-0.072	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C	ZINC001589450256	986839312	/nfs/dbraw/zinc/83/93/12/986839312.db2.gz	CCIRVXJUKXNWKL-NKWVEPMBSA-N	-2	0	331.350	-0.707	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccn2nnnc2c1	ZINC001589454144	986873856	/nfs/dbraw/zinc/87/38/56/986873856.db2.gz	LYQBGISVWWWDPL-RQJHMYQMSA-N	-2	0	327.322	-0.707	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2	ZINC001589455264	986893998	/nfs/dbraw/zinc/89/39/98/986893998.db2.gz	XDXULMUHZHQARI-YUMQZZPRSA-N	-2	0	331.350	-0.418	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1	ZINC001589490669	987055560	/nfs/dbraw/zinc/05/55/60/987055560.db2.gz	DCWIBKYTWDLXOK-RXMQYKEDSA-N	-2	0	335.367	-0.981	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001589491074	987056860	/nfs/dbraw/zinc/05/68/60/987056860.db2.gz	HITSYMBMJZYRKU-ZETCQYMHSA-N	-3	0	331.302	-0.317	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@]1(C2CCCC2)CCNC1=O	ZINC001589494037	987070161	/nfs/dbraw/zinc/07/01/61/987070161.db2.gz	HXKJDONMXIQSHR-ISVAXAHUSA-N	-2	0	332.378	-0.398	20	0		EBADRL
CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001594695199	987113569	/nfs/dbraw/zinc/11/35/69/987113569.db2.gz	IHMUPNGIWHLSOX-VIFPVBQESA-N	-2	0	334.394	-0.198	20	0		EBADRL
CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001597210075	987129234	/nfs/dbraw/zinc/12/92/34/987129234.db2.gz	MWCWORDIXFEUTG-ZCFIWIBFSA-N	-2	0	326.352	-0.526	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)[N-]OC[C@@H]2CCOC2)cn1	ZINC001589659787	987632718	/nfs/dbraw/zinc/63/27/18/987632718.db2.gz	DASUORGQXDBMKG-SECBINFHSA-N	-2	0	340.336	-0.274	20	0		EBADRL
CCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1S(C)(=O)=O	ZINC001597501192	988065840	/nfs/dbraw/zinc/06/58/40/988065840.db2.gz	YMFHPHDZOSVGAK-UHFFFAOYSA-N	-2	0	349.386	-0.203	20	0		EBADRL
CSCC[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	ZINC001599801611	988185807	/nfs/dbraw/zinc/18/58/07/988185807.db2.gz	PULITNACADILGN-VIFPVBQESA-N	-2	0	340.423	-0.176	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@H](CC1OCCO1)C(=O)[O-]	ZINC001590840886	990709878	/nfs/dbraw/zinc/70/98/78/990709878.db2.gz	VFIIBSCPQOINFH-ZCFIWIBFSA-N	-2	0	342.270	-0.224	20	0		EBADRL
CN(CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1n[n-]c(=O)o1	ZINC001598400285	991690269	/nfs/dbraw/zinc/69/02/69/991690269.db2.gz	VARMJVIZHVUTMI-UHFFFAOYSA-N	-2	0	327.322	-0.071	20	0		EBADRL
COc1ncc(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1	ZINC001599733380	991738360	/nfs/dbraw/zinc/73/83/60/991738360.db2.gz	WPFZEEIEHDDNDJ-UHFFFAOYSA-N	-2	0	344.330	-0.241	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)C12CCC(C(=O)[O-])(CC1)C2	ZINC001599757827	992078255	/nfs/dbraw/zinc/07/82/55/992078255.db2.gz	YUAPGKHNTVNUNA-UHFFFAOYSA-N	-2	0	332.378	-0.396	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC001599781104	992364622	/nfs/dbraw/zinc/36/46/22/992364622.db2.gz	LZRBQUMHAOHASV-SECBINFHSA-N	-2	0	328.412	-0.182	20	0		EBADRL
CN1C[C@@H](C(=O)[O-])N(C(=O)CSc2n[n-]c(=S)s2)CC1=O	ZINC001598565034	993132936	/nfs/dbraw/zinc/13/29/36/993132936.db2.gz	PCYMQUAERXOOKV-YFKPBYRVSA-N	-2	0	348.431	-0.327	20	0		EBADRL
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1=O	ZINC001598578058	993304937	/nfs/dbraw/zinc/30/49/37/993304937.db2.gz	BNDDOGGQOMSWAW-SSDOTTSWSA-N	-2	0	330.318	-0.349	20	0		EBADRL
CNC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598653910	994489963	/nfs/dbraw/zinc/48/99/63/994489963.db2.gz	VUKINUZMPXVQHW-UHFFFAOYSA-N	-2	0	343.361	-0.350	20	0		EBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cn1	ZINC001598656733	994534583	/nfs/dbraw/zinc/53/45/83/994534583.db2.gz	RMGYQHXBVNDMGY-YUMQZZPRSA-N	-2	0	343.361	-0.390	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])n1	ZINC001598659663	994575363	/nfs/dbraw/zinc/57/53/63/994575363.db2.gz	YIPJVWKAZANFQQ-JGVFFNPUSA-N	-2	0	343.361	-0.390	20	0		EBADRL
COC(=O)[C@H](CC(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1	ZINC001598695232	995126310	/nfs/dbraw/zinc/12/63/10/995126310.db2.gz	QRAGMZXMMISJEB-LURJTMIESA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC001598695778	995134480	/nfs/dbraw/zinc/13/44/80/995134480.db2.gz	ZNYXGPMDQBIUGE-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001598699224	995194135	/nfs/dbraw/zinc/19/41/35/995194135.db2.gz	UWISLBWPUMKNAU-RXMQYKEDSA-N	-2	0	328.249	-0.152	20	0		EBADRL
COC(=O)[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001598771677	995889409	/nfs/dbraw/zinc/88/94/09/995889409.db2.gz	RZOXFEXOIJAGPH-PSASIEDQSA-N	-2	0	348.315	-0.499	20	0		EBADRL
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSC[C@@H](C(=O)[O-])C2)C1	ZINC001593783374	996494534	/nfs/dbraw/zinc/49/45/34/996494534.db2.gz	JLJSWHXLANRWQC-XPTSAGLGSA-N	-2	0	344.389	-0.414	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C(=O)[O-]	ZINC001598867948	996719818	/nfs/dbraw/zinc/71/98/18/996719818.db2.gz	LHMGBSYTQGVNIV-SNVBAGLBSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001598883978	996857735	/nfs/dbraw/zinc/85/77/35/996857735.db2.gz	BVYJVKCPYZDOJC-YFKPBYRVSA-N	-2	0	336.347	-0.004	20	0		EBADRL
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC001599382707	996883858	/nfs/dbraw/zinc/88/38/58/996883858.db2.gz	DVQFLJKHTSZKFC-LDWIPMOCSA-N	-2	0	333.318	-0.494	20	0		EBADRL
COCc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])c1	ZINC001599281035	996897121	/nfs/dbraw/zinc/89/71/21/996897121.db2.gz	NJONDVNLASQCFN-LLVKDONJSA-N	-2	0	347.345	-0.355	20	0		EBADRL
COC(=O)[C@@H](O)CNS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F	ZINC001598894562	997056174	/nfs/dbraw/zinc/05/61/74/997056174.db2.gz	YWXKQRDOZOZPSQ-ZETCQYMHSA-N	-2	0	339.272	-0.525	20	0		EBADRL
COC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])O1	ZINC001598904674	997242418	/nfs/dbraw/zinc/24/24/18/997242418.db2.gz	BQFCZPKSHACQTE-UYXSQOIJSA-N	-2	0	337.350	-0.738	20	0		EBADRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)C(=O)[O-])c1	ZINC001598921986	997583584	/nfs/dbraw/zinc/58/35/84/997583584.db2.gz	FUQLQOKTJFWEHA-ZCFIWIBFSA-N	-2	0	331.302	-0.077	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001599232499	997886667	/nfs/dbraw/zinc/88/66/67/997886667.db2.gz	TZDYDKAGYFMPJD-UHFFFAOYSA-N	-2	0	330.362	-0.134	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c(C)nn1C	ZINC001599345739	998002218	/nfs/dbraw/zinc/00/22/18/998002218.db2.gz	YSPVTOJVHXWUPS-UHFFFAOYSA-N	-2	0	343.361	-0.203	20	0		EBADRL
CO[C@H]1COCC[C@@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001599140407	998119447	/nfs/dbraw/zinc/11/94/47/998119447.db2.gz	RNOOECQNEXMRBP-ZJUUUORDSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])on1	ZINC001598953770	998202686	/nfs/dbraw/zinc/20/26/86/998202686.db2.gz	IVODUCCOOPPUBS-SCSAIBSYSA-N	-2	0	328.249	-0.152	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C)OC	ZINC001599166095	998544271	/nfs/dbraw/zinc/54/42/71/998544271.db2.gz	LEBWIWBUZSEEBV-MRVPVSSYSA-N	-2	0	334.350	-0.556	20	0		EBADRL
COC(=O)c1cccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1	ZINC001598993280	998755910	/nfs/dbraw/zinc/75/59/10/998755910.db2.gz	UJCYUFIXFDGYET-MRVPVSSYSA-N	-2	0	329.330	-0.065	20	0		EBADRL
C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001594294778	999133990	/nfs/dbraw/zinc/13/39/90/999133990.db2.gz	ANPWYECZLNGPMO-RKDXNWHRSA-N	-2	0	331.350	-0.159	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1=O	ZINC001412427733	1129526543	/nfs/dbraw/zinc/52/65/43/1129526543.db2.gz	OKURNNJTESWDBS-LLVKDONJSA-N	-2	0	335.368	-0.512	20	0		EBADRL
NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1	ZINC001260393545	1130544785	/nfs/dbraw/zinc/54/47/85/1130544785.db2.gz	NEMADFQZLALUJL-UHFFFAOYSA-N	-2	0	338.301	-0.220	20	0		EBADRL
O=C(NCCc1nc(=O)o[n-]1)c1nc[n-]c(=O)c1Br	ZINC001362592380	1131619028	/nfs/dbraw/zinc/61/90/28/1131619028.db2.gz	QRLTYHMGJUXABB-UHFFFAOYSA-N	-2	0	330.098	-0.407	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)N1CCc2ccccc2C1)C(=O)[O-]	ZINC000317031781	377173242	/nfs/dbraw/zinc/17/32/42/377173242.db2.gz	SXRDHHUBXLMRJK-LLVKDONJSA-N	-2	0	328.346	-0.193	20	0		EBADRL
CN(CC(=O)[O-])C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1	ZINC000621829792	379362987	/nfs/dbraw/zinc/36/29/87/379362987.db2.gz	KKYVGNFGNXXFGL-OAHLLOKOSA-N	-2	0	334.332	-0.033	20	0		EBADRL
CNS(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)[O-])C2)s1	ZINC000621828561	379363539	/nfs/dbraw/zinc/36/35/39/379363539.db2.gz	IZBXAGZVFMMOIW-UHFFFAOYSA-N	-2	0	333.391	-0.118	20	0		EBADRL
CN(CCCC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000270431677	379451347	/nfs/dbraw/zinc/45/13/47/379451347.db2.gz	ICNJCRYHMZSHTG-UHFFFAOYSA-N	-2	0	342.333	-0.079	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274986076	379728759	/nfs/dbraw/zinc/72/87/59/379728759.db2.gz	MDCFZRPSQLDQIU-ZCFIWIBFSA-N	-2	0	335.290	-0.480	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000274979234	379729529	/nfs/dbraw/zinc/72/95/29/379729529.db2.gz	XMNUNZADKJSVFT-SECBINFHSA-N	-2	0	345.329	-0.012	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(C)c1	ZINC000275056130	379733581	/nfs/dbraw/zinc/73/35/81/379733581.db2.gz	YCONGRRAQXUUOV-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275133257	379738970	/nfs/dbraw/zinc/73/89/70/379738970.db2.gz	ITOVOVGDQMVNLU-ZCFIWIBFSA-N	-2	0	341.292	-0.398	20	0		EBADRL
COC(=O)[C@@H](C)CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278790533	379933499	/nfs/dbraw/zinc/93/34/99/379933499.db2.gz	VAQGQEGWBDDOPB-JGVFFNPUSA-N	-2	0	325.339	-0.577	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CC2CCOCC2)C[C@H]1C(=O)[O-]	ZINC000548250248	380194095	/nfs/dbraw/zinc/19/40/95/380194095.db2.gz	LBBLZJKBMWVHJU-GHMZBOCLSA-N	-2	0	335.378	-0.150	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000547609491	380150021	/nfs/dbraw/zinc/15/00/21/380150021.db2.gz	KVCMWCQYXVWUQN-LBPRGKRZSA-N	-2	0	348.333	-0.355	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-])c1	ZINC000547613923	380150203	/nfs/dbraw/zinc/15/02/03/380150203.db2.gz	CEDOQBLVSZBPQN-LBPRGKRZSA-N	-2	0	349.317	-0.090	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000287609664	380365933	/nfs/dbraw/zinc/36/59/33/380365933.db2.gz	RRHQHOXVPJQUSG-MRVPVSSYSA-N	-2	0	339.366	-0.187	20	0		EBADRL
COCCOCCS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000564861284	380382549	/nfs/dbraw/zinc/38/25/49/380382549.db2.gz	UCLHYVPTNUZOGT-LBPRGKRZSA-N	-2	0	339.366	-0.769	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274927251	380565748	/nfs/dbraw/zinc/56/57/48/380565748.db2.gz	OFKWHPHDLBROOT-SECBINFHSA-N	-2	0	330.318	-0.748	20	0		EBADRL
Cc1nc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1C	ZINC000275097967	380569190	/nfs/dbraw/zinc/56/91/90/380569190.db2.gz	LBXCZDUFEDVCOW-RKDXNWHRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-]	ZINC000037908958	381189491	/nfs/dbraw/zinc/18/94/91/381189491.db2.gz	XVWLUYRTYQXDDL-SSDOTTSWSA-N	-2	0	326.252	-0.289	20	0		EBADRL
COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274913781	292010544	/nfs/dbraw/zinc/01/05/44/292010544.db2.gz	LGBPHMAAJVKBDG-VIFPVBQESA-N	-2	0	345.329	-0.012	20	0		EBADRL
C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000261725813	154197696	/nfs/dbraw/zinc/19/76/96/154197696.db2.gz	RRAWJFQHKKJSTQ-RXMQYKEDSA-N	-2	0	328.306	-0.470	20	0		EBADRL
CCC[C@@H](NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000262412524	154230484	/nfs/dbraw/zinc/23/04/84/154230484.db2.gz	XYEIMSYLQRWPDM-SNVBAGLBSA-N	-2	0	346.409	-0.234	20	0		EBADRL
C[C@H](CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000262435871	154232008	/nfs/dbraw/zinc/23/20/08/154232008.db2.gz	PDEOJKKZMWHMPT-ZCFIWIBFSA-N	-2	0	342.333	-0.223	20	0		EBADRL
CC(C)(CCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000424403563	265061460	/nfs/dbraw/zinc/06/14/60/265061460.db2.gz	JRONPLBCOWFNLO-QMMMGPOBSA-N	-2	0	336.366	-0.620	20	0		EBADRL
CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])c(F)c1	ZINC000318950302	545729591	/nfs/dbraw/zinc/72/95/91/545729591.db2.gz	IQXRPKXXJPYKKY-JTQLQIEISA-N	-2	0	334.325	-0.102	20	0		EBADRL
NC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000680837702	546294530	/nfs/dbraw/zinc/29/45/30/546294530.db2.gz	TYFPYHPUJRPCET-UHFFFAOYSA-N	-2	0	340.317	-0.227	20	0		EBADRL
Cc1noc2ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000681555868	546307167	/nfs/dbraw/zinc/30/71/67/546307167.db2.gz	DWAWVIRAUKCPQP-QMMMGPOBSA-N	-2	0	329.290	-0.263	20	0		EBADRL
O=C([O-])Cc1ccc(C[C@@H](NS(=O)(=O)NC2CC2)C(=O)[O-])cc1	ZINC000684562314	546373025	/nfs/dbraw/zinc/37/30/25/546373025.db2.gz	UDBNOPZDXZMXBU-GFCCVEGCSA-N	-2	0	342.373	-0.104	20	0		EBADRL
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCCC1=O	ZINC000736348309	582930831	/nfs/dbraw/zinc/93/08/31/582930831.db2.gz	WZVOBUGGODTWBV-LBPRGKRZSA-N	-2	0	334.394	-0.056	20	0		EBADRL
CCCC(=O)NCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736952467	582977443	/nfs/dbraw/zinc/97/74/43/582977443.db2.gz	USURFZJFGWWIMN-UHFFFAOYSA-N	-2	0	335.382	-0.940	20	0		EBADRL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1	ZINC000753770440	583162912	/nfs/dbraw/zinc/16/29/12/583162912.db2.gz	QHCFDZBCCYYBLI-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c(C)c1C(=O)[O-]	ZINC000753771469	583162955	/nfs/dbraw/zinc/16/29/55/583162955.db2.gz	VWHMSIYJKMTAOK-UHFFFAOYSA-N	-2	0	344.345	-0.519	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000759462808	583213408	/nfs/dbraw/zinc/21/34/08/583213408.db2.gz	OCRLHYPNKVCEPG-UHFFFAOYSA-N	-2	0	331.316	-0.100	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000759612979	583215553	/nfs/dbraw/zinc/21/55/53/583215553.db2.gz	IXUHVWMVCRCCHN-SSDOTTSWSA-N	-2	0	346.327	-0.074	20	0		EBADRL
Cn1nncc1S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000759677785	583216514	/nfs/dbraw/zinc/21/65/14/583216514.db2.gz	YZZLUZJBIGHFPU-UHFFFAOYSA-N	-2	0	343.287	-0.923	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1	ZINC000760810129	583232047	/nfs/dbraw/zinc/23/20/47/583232047.db2.gz	OSFIXZQRXWUZBP-UHFFFAOYSA-N	-2	0	343.287	-0.396	20	0		EBADRL
Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc(C(=O)[O-])c1F	ZINC000763278218	583259319	/nfs/dbraw/zinc/25/93/19/583259319.db2.gz	MKMJZLHISXLTFK-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
CO[C@H](C)CS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000764196298	583270431	/nfs/dbraw/zinc/27/04/31/583270431.db2.gz	VTCZLNFGBAHQSL-ZCFIWIBFSA-N	-2	0	334.316	-0.076	20	0		EBADRL
Cn1c(=O)c2ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cc2[n-]c1=S	ZINC000769746021	583327179	/nfs/dbraw/zinc/32/71/79/583327179.db2.gz	WNQVGQVKQDVTCP-AWEZNQCLSA-N	-2	0	337.357	-0.212	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cccc2c1COC2=O)C(=O)[O-]	ZINC000776635314	583407700	/nfs/dbraw/zinc/40/77/00/583407700.db2.gz	QHGLZDCARLGIGO-ZETCQYMHSA-N	-2	0	343.313	-0.189	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)[O-])C1	ZINC000828671037	583944856	/nfs/dbraw/zinc/94/48/56/583944856.db2.gz	PSCUYPJUTDFVBB-GFCCVEGCSA-N	-2	0	336.366	-0.224	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CSCN1C(=O)[O-]	ZINC000829002761	583949895	/nfs/dbraw/zinc/94/98/95/583949895.db2.gz	XVDRWARBPHBXBT-MRVPVSSYSA-N	-2	0	342.395	-0.852	20	0		EBADRL
Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)c(=O)[nH]1	ZINC000830225605	583965600	/nfs/dbraw/zinc/96/56/00/583965600.db2.gz	RJLHFPKALJZBHD-QMMMGPOBSA-N	-2	0	329.334	-0.092	20	0		EBADRL
COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1	ZINC000831192509	583978919	/nfs/dbraw/zinc/97/89/19/583978919.db2.gz	LEQIGAVZPKHKEO-UHFFFAOYSA-N	-2	0	330.278	-0.457	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000831474282	583983236	/nfs/dbraw/zinc/98/32/36/583983236.db2.gz	NOUFRWMYIFALGM-ZJUUUORDSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)[C@H]1CCOC1	ZINC000831474280	583983246	/nfs/dbraw/zinc/98/32/46/583983246.db2.gz	NOUFRWMYIFALGM-UWVGGRQHSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1	ZINC000831747094	583991125	/nfs/dbraw/zinc/99/11/25/583991125.db2.gz	DSDYUNYCLFJMIL-SCZZXKLOSA-N	-2	0	345.377	-0.804	20	0		EBADRL
O=C([O-])NCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000832620433	583999682	/nfs/dbraw/zinc/99/96/82/583999682.db2.gz	BWWISJXJQVGSHQ-UHFFFAOYSA-N	-2	0	343.321	-0.628	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1	ZINC000833699963	584014152	/nfs/dbraw/zinc/01/41/52/584014152.db2.gz	FFYNUJZRQWBVPG-VHSXEESVSA-N	-2	0	326.330	-0.428	20	0		EBADRL
O=C([O-])N1CCC(n2cc(C(=O)[N-]N3CCCNC3=O)nn2)CC1	ZINC000834044462	584025289	/nfs/dbraw/zinc/02/52/89/584025289.db2.gz	CXLFPKQWYLGNCU-UHFFFAOYSA-N	-2	0	337.340	-0.347	20	0		EBADRL
O=C([O-])N1CCC(CCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1	ZINC000834291085	584030891	/nfs/dbraw/zinc/03/08/91/584030891.db2.gz	WOFMJJDTRCCRHD-NSHDSACASA-N	-2	0	338.364	-0.081	20	0		EBADRL
Cn1cc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1	ZINC000851704074	584200891	/nfs/dbraw/zinc/20/08/91/584200891.db2.gz	SARDXDGBDKLBFX-SVRRBLITSA-N	-2	0	349.269	-0.449	20	0		EBADRL
O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000863955258	584381094	/nfs/dbraw/zinc/38/10/94/584381094.db2.gz	FWZDILOMBIODQW-UHFFFAOYSA-N	-2	0	326.330	-0.358	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1N(C)C	ZINC000863955899	584381145	/nfs/dbraw/zinc/38/11/45/584381145.db2.gz	CXSGTOGSTMWODX-UHFFFAOYSA-N	-2	0	330.362	-0.033	20	0		EBADRL
COc1cc(OC)cc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])c1	ZINC000863959778	584381519	/nfs/dbraw/zinc/38/15/19/584381519.db2.gz	BVKQFTJORIMGFJ-UHFFFAOYSA-N	-2	0	333.318	-0.390	20	0		EBADRL
O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1)C1CC1	ZINC000863963776	584381923	/nfs/dbraw/zinc/38/19/23/584381923.db2.gz	GWDZVKBKYXOQBN-GXSJLCMTSA-N	-2	0	343.361	-0.240	20	0		EBADRL
CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000863962519	584381944	/nfs/dbraw/zinc/38/19/44/584381944.db2.gz	NOUDKFOETZZLBL-VIFPVBQESA-N	-2	0	331.350	-0.173	20	0		EBADRL
O=C([O-])[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739545939	599728243	/nfs/dbraw/zinc/72/82/43/599728243.db2.gz	CEHQQUCSAILEDO-UWVGGRQHSA-N	-2	0	337.317	-0.812	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000739842823	600178620	/nfs/dbraw/zinc/17/86/20/600178620.db2.gz	SJANIUDTUKNNIU-UHFFFAOYSA-N	-2	0	340.313	-0.797	20	0		EBADRL
O=C([O-])CCCOc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1	ZINC000739682782	600341496	/nfs/dbraw/zinc/34/14/96/600341496.db2.gz	LGFCJCSFOPWBKK-UHFFFAOYSA-N	-2	0	348.319	-0.302	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1C(=O)[O-]	ZINC000739038046	600529734	/nfs/dbraw/zinc/52/97/34/600529734.db2.gz	ZUJVSLSIQWAXOK-UHFFFAOYSA-N	-3	0	328.306	-0.195	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1C(N)=O	ZINC000738652712	602686716	/nfs/dbraw/zinc/68/67/16/602686716.db2.gz	RQKYSRULTJXAJF-UHFFFAOYSA-N	-2	0	343.361	-0.053	20	0		EBADRL
COCCN(CC(=O)[N-]S(=O)(=O)c1cc(C)ccn1)C(=O)[O-]	ZINC000739820839	603171201	/nfs/dbraw/zinc/17/12/01/603171201.db2.gz	PYFASVYFXSVUIW-UHFFFAOYSA-N	-2	0	331.350	-0.179	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C(=O)[O-]	ZINC000917716813	650284152	/nfs/dbraw/zinc/28/41/52/650284152.db2.gz	CZWXXLIIWLTGER-QMMMGPOBSA-N	-3	0	347.301	-0.400	20	0		EBADRL
C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000921206817	650316302	/nfs/dbraw/zinc/31/63/02/650316302.db2.gz	JXXWPBBNGOMHOL-QMMMGPOBSA-N	-2	0	344.345	-0.358	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000927216689	651500462	/nfs/dbraw/zinc/50/04/62/651500462.db2.gz	ZXKGQKPZOCIMAV-MRVPVSSYSA-N	-2	0	340.302	-0.236	20	0		EBADRL
Cc1[nH]nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001029273248	730395924	/nfs/dbraw/zinc/39/59/24/730395924.db2.gz	VKMYERMQSIOPCF-DTORHVGOSA-N	-2	0	333.352	-0.264	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])o1	ZINC001222785387	811660720	/nfs/dbraw/zinc/66/07/20/811660720.db2.gz	MQBRFBKPURNXED-OIBJUYFYSA-N	-2	0	330.245	-0.354	20	0		EBADRL
COC(=O)c1csc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223013702	811676674	/nfs/dbraw/zinc/67/66/74/811676674.db2.gz	RTVNOBSSUOJRJV-CDUCUWFYSA-N	-2	0	347.301	-0.491	20	0		EBADRL
COC(=O)c1ccoc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223069072	811681448	/nfs/dbraw/zinc/68/14/48/811681448.db2.gz	ZYIMCGRVUWBNLJ-GMSGAONNSA-N	-2	0	330.245	-0.354	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1cccc2c1OCO2)[C@H](O)C(=O)[O-]	ZINC001223268186	811694660	/nfs/dbraw/zinc/69/46/60/811694660.db2.gz	YWVYBFDMRHURLP-KWQFWETISA-N	-2	0	326.257	-0.005	20	0		EBADRL
COC(=O)c1cccnc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001223436365	811705300	/nfs/dbraw/zinc/70/53/00/811705300.db2.gz	ABCQBPCDMDQOGH-LDYMZIIASA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cncc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001223493844	811709211	/nfs/dbraw/zinc/70/92/11/811709211.db2.gz	SVIRDCBGQCZBSA-ONGXEEELSA-N	-2	0	341.272	-0.552	20	0		EBADRL
CC(C)(C)OC(=O)NCCOC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001224338927	811757708	/nfs/dbraw/zinc/75/77/08/811757708.db2.gz	YYGNTELJHKTGRA-SSDOTTSWSA-N	-2	0	329.242	-0.476	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCCO[C@H]1CCCCO1)[C@H](O)C(=O)[O-]	ZINC001224527388	811763007	/nfs/dbraw/zinc/76/30/07/811763007.db2.gz	ZZUJSUGLUDJHIW-DLOVCJGASA-N	-2	0	334.321	-0.001	20	0		EBADRL
CC(C)(C)OC(=O)/C=C/COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001224998509	811787974	/nfs/dbraw/zinc/78/79/74/811787974.db2.gz	QYTIEYBNKLSATL-DLUMPMLVSA-N	-2	0	332.305	-0.036	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2cnnn2)cc1)[C@H](O)C(=O)[O-]	ZINC001225486674	811813198	/nfs/dbraw/zinc/81/31/98/811813198.db2.gz	VCCIFTYKLFNPMP-KOLCDFICSA-N	-2	0	336.260	-0.896	20	0		EBADRL
O=C(Oc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225514329	811815572	/nfs/dbraw/zinc/81/55/72/811815572.db2.gz	AMQLJKYMZHRESE-MRVPVSSYSA-N	-3	0	342.218	-0.691	20	0		EBADRL
CC(=O)c1c(O)cc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225675046	811822895	/nfs/dbraw/zinc/82/28/95/811822895.db2.gz	QTBXTGGKWGMNNT-JMCQJSRRSA-N	-2	0	342.256	-0.258	20	0		EBADRL
COCc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[nH]c(=S)n1	ZINC001225936621	811837464	/nfs/dbraw/zinc/83/74/64/811837464.db2.gz	BNTGLGGSIMMNIB-IMTBSYHQSA-N	-2	0	346.317	-0.647	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2c1CCC2)[C@H](O)C(=O)[O-]	ZINC001226299965	811860190	/nfs/dbraw/zinc/86/01/90/811860190.db2.gz	JXMRTMSGNKTQPE-MUWHJKNJSA-N	-2	0	342.329	-0.304	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2c1CCC2)[C@@H](O)C(=O)[O-]	ZINC001226343513	811861113	/nfs/dbraw/zinc/86/11/13/811861113.db2.gz	XRWQVSSZGTXMPO-HZGVNTEJSA-N	-2	0	326.261	-0.887	20	0		EBADRL
CC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1O	ZINC001226483660	811866823	/nfs/dbraw/zinc/86/68/23/811866823.db2.gz	XWCZOIHQNLOQQC-RDDDGLTNSA-N	-2	0	342.256	-0.258	20	0		EBADRL
CCOC(=O)c1cncnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226551355	811870219	/nfs/dbraw/zinc/87/02/19/811870219.db2.gz	ISRLMWIRRNMNHY-IMTBSYHQSA-N	-2	0	342.260	-0.905	20	0		EBADRL
COC(=O)c1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001226759415	811883493	/nfs/dbraw/zinc/88/34/93/811883493.db2.gz	PJNWMHIUXGYWAS-GMSGAONNSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COC(=O)C[C@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)C(=O)OC	ZINC001226887374	811889320	/nfs/dbraw/zinc/88/93/20/811889320.db2.gz	FUGGWBGZENYRMR-BYPYZUCNSA-N	-2	0	340.248	-0.980	20	0		EBADRL
NC(=O)Nc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001227200876	811910438	/nfs/dbraw/zinc/91/04/38/811910438.db2.gz	XLGXVEWKNIIVKS-WPRPVWTQSA-N	-2	0	326.261	-0.381	20	0		EBADRL
CC(C)N1C(=S)N=NC1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227226419	811911931	/nfs/dbraw/zinc/91/19/31/811911931.db2.gz	PWXSISFVBFOFSO-FSPLSTOPSA-N	-2	0	333.322	-0.411	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cnc(Br)nc1)[C@H](O)C(=O)[O-]	ZINC001227755886	811940207	/nfs/dbraw/zinc/94/02/07/811940207.db2.gz	KYNFHFAFJNGRTB-FSPLSTOPSA-N	-2	0	349.093	-0.319	20	0		EBADRL
CCOc1ncc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228365097	811976608	/nfs/dbraw/zinc/97/66/08/811976608.db2.gz	GRAIRJXUZNJMTM-XRGYYRRGSA-N	-2	0	332.240	-0.544	20	0		EBADRL
CCOC(=O)c1cncc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001228561033	811987152	/nfs/dbraw/zinc/98/71/52/811987152.db2.gz	XKMQWBWXZPENEF-SECBINFHSA-N	-2	0	335.205	-0.366	20	0		EBADRL
CC(=O)c1c(=O)oc(C)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229186613	812016166	/nfs/dbraw/zinc/01/61/66/812016166.db2.gz	LDZCFCLREDWPHD-HQJQHLMTSA-N	-2	0	342.256	-0.407	20	0		EBADRL
O=C(Oc1ccccc1-c1nn[nH]n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001229950889	812064870	/nfs/dbraw/zinc/06/48/70/812064870.db2.gz	OJMUYMMUURPOKO-SSDOTTSWSA-N	-2	0	330.193	-0.758	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc2c(cc1O)C=NCC2)[C@@H](O)C(=O)[O-]	ZINC001230921054	812256966	/nfs/dbraw/zinc/25/69/66/812256966.db2.gz	CWVSQEBBVATWDK-NOZJJQNGSA-N	-2	0	337.284	-0.191	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1F	ZINC001230976423	812261725	/nfs/dbraw/zinc/26/17/25/812261725.db2.gz	XZRIILKHFOXXTI-SSDOTTSWSA-N	-2	0	338.180	-0.012	20	0		EBADRL
COc1ccc(C(N)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001231291325	812288890	/nfs/dbraw/zinc/28/88/90/812288890.db2.gz	VNTFRNMKBDQPLZ-LDYMZIIASA-N	-2	0	341.272	-0.764	20	0		EBADRL
COC(=O)c1cc(C)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001234002231	812375725	/nfs/dbraw/zinc/37/57/25/812375725.db2.gz	ADMDJLPAQSJSDE-GZMMTYOYSA-N	-2	0	341.272	-0.382	20	0		EBADRL
COC(=O)c1ccc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001234419754	812424739	/nfs/dbraw/zinc/42/47/39/812424739.db2.gz	FVQCKTCJWLZXQW-XVKPBYJWSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)N1Cc2ccccc2S1(=O)=O)[C@@H](O)C(=O)[O-]	ZINC001250383753	812610497	/nfs/dbraw/zinc/61/04/97/812610497.db2.gz	XHTPATNEAQDSQJ-LDYMZIIASA-N	-2	0	343.313	-0.746	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[n-]2)c1[O-]	ZINC001096964503	818914635	/nfs/dbraw/zinc/91/46/35/818914635.db2.gz	RIZNBUBXZYVIOO-HLTSFMKQSA-N	-2	0	333.352	-0.217	20	0		EBADRL
NS(=O)(=O)c1ccc(Cl)nc1NCCOP(=O)([O-])[O-]	ZINC001157795847	831593730	/nfs/dbraw/zinc/59/37/30/831593730.db2.gz	OBLWAKADJUZVGJ-UHFFFAOYSA-N	-2	0	331.674	-0.096	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1cccc(C(=O)[O-])c1	ZINC001175327883	832621466	/nfs/dbraw/zinc/62/14/66/832621466.db2.gz	ZMSJQYCRTWOWTB-UHFFFAOYSA-N	-2	0	341.305	-0.604	20	0		EBADRL
CCOCCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001187287784	833915639	/nfs/dbraw/zinc/91/56/39/833915639.db2.gz	VKSJGZOGKJBEHW-UHFFFAOYSA-N	-2	0	334.375	-0.103	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccccc1S(=O)(=O)[O-]	ZINC001189698037	834180093	/nfs/dbraw/zinc/18/00/93/834180093.db2.gz	BLAWIAKCLPKWTQ-UHFFFAOYSA-N	-3	0	325.235	-0.228	20	0		EBADRL
NC(=O)[C@@H]1CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CCO1	ZINC001189886885	834205963	/nfs/dbraw/zinc/20/59/63/834205963.db2.gz	IXKHNNWKMXYHCQ-JTQLQIEISA-N	-2	0	330.233	-0.516	20	0		EBADRL
Cc1nnc(CNC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)[nH]1	ZINC001189941244	834212151	/nfs/dbraw/zinc/21/21/51/834212151.db2.gz	FYKIUQIGWYARAJ-UHFFFAOYSA-N	-2	0	340.317	-0.012	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCS(=O)(=O)c1ccccc1)[C@H](O)C(=O)[O-]	ZINC001206103815	836624716	/nfs/dbraw/zinc/62/47/16/836624716.db2.gz	VAGIYCWONBJQEW-ONGXEEELSA-N	-2	0	346.313	-0.503	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)CC1	ZINC001329655838	840977308	/nfs/dbraw/zinc/97/73/08/840977308.db2.gz	UIKHOQAQKYTADY-UHFFFAOYSA-N	-2	0	344.389	-0.136	20	0		EBADRL
O=c1cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)nc2c(-c3nnn[n-]3)c[n-]n21	ZINC001570946102	949518723	/nfs/dbraw/zinc/51/87/23/949518723.db2.gz	JKEJSVWITXDQJW-HZZAEOOSSA-N	-2	0	346.376	-0.680	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1cccc2nsnc21	ZINC001595106963	951880941	/nfs/dbraw/zinc/88/09/41/951880941.db2.gz	FJBYOMLRWFBMBK-UHFFFAOYSA-N	-2	0	331.331	-0.403	20	0		EBADRL
O=C([O-])COCC(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC001595111276	951908099	/nfs/dbraw/zinc/90/80/99/951908099.db2.gz	WHNZGZPWSXCFOC-UHFFFAOYSA-N	-2	0	328.302	-0.347	20	0		EBADRL
O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2oc(=O)nc-2[n-]1	ZINC001594961912	955020504	/nfs/dbraw/zinc/02/05/04/955020504.db2.gz	OLADYRVUZPNRQZ-SSDOTTSWSA-N	-2	0	341.301	-0.748	20	0		EBADRL
C[C@H](CN(C)C(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nnn[n-]1	ZINC001589022121	955480089	/nfs/dbraw/zinc/48/00/89/955480089.db2.gz	KWBOHMFQWVNOFK-MRVPVSSYSA-N	-2	0	345.381	-0.959	20	0		EBADRL
NS(=O)(=O)c1ccc([O-])c(C(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001594659977	956524270	/nfs/dbraw/zinc/52/42/70/956524270.db2.gz	PUWKEUUXFQUGSH-UHFFFAOYSA-N	-2	0	328.346	-0.024	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)cn1	ZINC001594109158	958498759	/nfs/dbraw/zinc/49/87/59/958498759.db2.gz	UVUZNYFAUAUHKF-UHFFFAOYSA-N	-2	0	338.301	-0.303	20	0		EBADRL
Cc1ccn(CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c(=O)c1	ZINC001594421257	959073035	/nfs/dbraw/zinc/07/30/35/959073035.db2.gz	AYXBPYQCRFZUCW-UHFFFAOYSA-N	-2	0	341.301	-0.652	20	0		EBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-][C@H](CCO)C(F)(F)F)CC1	ZINC001606022523	973113383	/nfs/dbraw/zinc/11/33/83/973113383.db2.gz	VPYIVRFSKUQWBQ-MRVPVSSYSA-N	-2	0	334.316	-0.069	20	0		EBADRL
O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)n1	ZINC001606350685	973794196	/nfs/dbraw/zinc/79/41/96/973794196.db2.gz	UWMNSOWFMOISHF-SECBINFHSA-N	-2	0	341.349	-0.074	20	0		EBADRL
CC(C)[C@H](NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC001591859110	976152398	/nfs/dbraw/zinc/15/23/98/976152398.db2.gz	MWQVKRZHPQTDBL-VIFPVBQESA-N	-2	0	340.336	-0.133	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C)C(=O)[O-]	ZINC001592799941	979455618	/nfs/dbraw/zinc/45/56/18/979455618.db2.gz	HNQDBUBTHZRRFJ-HLTSFMKQSA-N	-2	0	325.383	-0.123	20	0		EBADRL
C[C@@H](CS(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1)C(=O)[O-]	ZINC001592806004	979465964	/nfs/dbraw/zinc/46/59/64/979465964.db2.gz	BEYRVIHOHLAIJA-JQWIXIFHSA-N	-2	0	345.373	-0.269	20	0		EBADRL
CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001595131056	979547536	/nfs/dbraw/zinc/54/75/36/979547536.db2.gz	IVMJBPIMCMIJGQ-VIFPVBQESA-N	-2	0	333.366	-0.238	20	0		EBADRL
CC[C@@](COC)([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001595199430	979940224	/nfs/dbraw/zinc/94/02/24/979940224.db2.gz	GAHSSNCESZHWKY-JTQLQIEISA-N	-2	0	328.412	-0.038	20	0		EBADRL
CC[C@](COC)([N-]S(=O)(=O)c1cc(C(=O)OC)no1)C(=O)[O-]	ZINC001595199584	979942318	/nfs/dbraw/zinc/94/23/18/979942318.db2.gz	LAKOZSHJBDQVEA-LLVKDONJSA-N	-2	0	336.322	-0.381	20	0		EBADRL
CCCC[C@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-]	ZINC001595635940	981911124	/nfs/dbraw/zinc/91/11/24/981911124.db2.gz	QKMVEUJYMVTGIY-IUCAKERBSA-N	-2	0	337.398	-0.217	20	0		EBADRL
CCCC[C@@H](NC(=O)NCC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-]	ZINC001595635941	981911133	/nfs/dbraw/zinc/91/11/33/981911133.db2.gz	QKMVEUJYMVTGIY-RKDXNWHRSA-N	-2	0	337.398	-0.217	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599913600	985022107	/nfs/dbraw/zinc/02/21/07/985022107.db2.gz	UFUCMJGRFPLWNW-LSJOCFKGSA-N	-2	0	342.348	-0.696	20	0		EBADRL
CC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC001589127695	985404219	/nfs/dbraw/zinc/40/42/19/985404219.db2.gz	IPYNBGDHWBDVCX-UHFFFAOYSA-N	-2	0	334.737	-0.021	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC	ZINC001596967928	986179481	/nfs/dbraw/zinc/17/94/81/986179481.db2.gz	FVPQLNMVJMWKCI-UHFFFAOYSA-N	-2	0	339.304	-0.484	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001596969024	986188547	/nfs/dbraw/zinc/18/85/47/986188547.db2.gz	UEWIWAJMVQXAPQ-SECBINFHSA-N	-2	0	340.340	-0.610	20	0		EBADRL
C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1nnc(CCC(=O)[O-])s1	ZINC001589336736	986224287	/nfs/dbraw/zinc/22/42/87/986224287.db2.gz	LOCQYTBFWYNDRQ-LURJTMIESA-N	-2	0	336.395	-0.226	20	0		EBADRL
C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)CCC(=O)[O-])NC1=O	ZINC001594651214	986875526	/nfs/dbraw/zinc/87/55/26/986875526.db2.gz	PPDOGAVYSMYOCY-ZETCQYMHSA-N	-2	0	342.329	-0.060	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(Cc2ccccc2)nn1	ZINC001589492112	987062548	/nfs/dbraw/zinc/06/25/48/987062548.db2.gz	RJLRDMUQJMEHMS-VIFPVBQESA-N	-2	0	338.345	-0.141	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC001589493661	987068579	/nfs/dbraw/zinc/06/85/79/987068579.db2.gz	FPCMPLCSSAWNAU-MFAVDMRSSA-N	-2	0	346.405	-0.010	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001589496528	987079180	/nfs/dbraw/zinc/07/91/80/987079180.db2.gz	XXLNYBSAISQMBH-SCSAIBSYSA-N	-3	0	334.272	-0.637	20	0		EBADRL
CCS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001597209572	987123967	/nfs/dbraw/zinc/12/39/67/987123967.db2.gz	LJEFCBWHBLOCNH-UHFFFAOYSA-N	-2	0	326.352	-0.524	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)NCC2(C(=O)[O-])CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599850857	989009905	/nfs/dbraw/zinc/00/99/05/989009905.db2.gz	INCUELCOFCOTCD-BDAKNGLRSA-N	-2	0	328.321	-0.942	20	0		EBADRL
CCn1c(=O)c2ccc(C(=O)N3CC(O)(C(=O)[O-])C3)cc2[n-]c1=S	ZINC001597860630	989636334	/nfs/dbraw/zinc/63/63/34/989636334.db2.gz	YZLWSRUALIYDKB-UHFFFAOYSA-N	-2	0	349.368	-0.023	20	0		EBADRL
CCn1[n-]nnc1=NC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC001597981970	990048820	/nfs/dbraw/zinc/04/88/20/990048820.db2.gz	IKCSHRJBCVEUGV-SNVBAGLBSA-N	-2	0	334.336	-0.115	20	0		EBADRL
CC(C)(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@@]2(CCOC2)C1)C(=O)[O-]	ZINC001590789321	990612855	/nfs/dbraw/zinc/61/28/55/990612855.db2.gz	RECVHDLEVRGWEY-ZANVPECISA-N	-2	0	335.378	-0.150	20	0		EBADRL
COc1ccnc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC001599721622	991548923	/nfs/dbraw/zinc/54/89/23/991548923.db2.gz	ZRWXELXWCVILPL-UHFFFAOYSA-N	-2	0	343.361	-0.139	20	0		EBADRL
CC(C)N(CCN(C)Cc1n[nH]c(=O)[n-]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-]	ZINC001591594392	992816018	/nfs/dbraw/zinc/81/60/18/992816018.db2.gz	YGIMOANYXSREKN-UWVGGRQHSA-N	-2	0	325.369	-0.100	20	0		EBADRL
COC(=O)[C@]1([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCOC1	ZINC001598726041	995519529	/nfs/dbraw/zinc/51/95/29/995519529.db2.gz	VQEQUXWVJBIEAE-CWSCBRNRSA-N	-2	0	335.378	-0.119	20	0		EBADRL
COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001598771684	995889007	/nfs/dbraw/zinc/88/90/07/995889007.db2.gz	RZOXFEXOIJAGPH-SCZZXKLOSA-N	-2	0	348.315	-0.499	20	0		EBADRL
C[C@]1(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCC(=O)NC1	ZINC001593755002	996401319	/nfs/dbraw/zinc/40/13/19/996401319.db2.gz	JIPOSBSIYGDVHD-NSHDSACASA-N	-2	0	347.374	-0.438	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC001599502840	997157162	/nfs/dbraw/zinc/15/71/62/997157162.db2.gz	JQAJGHIJDWFUEO-JTQLQIEISA-N	-2	0	345.329	-0.133	20	0		EBADRL
COC(=O)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)[C@H]2C[C@H]21	ZINC001598902017	997188824	/nfs/dbraw/zinc/18/88/24/997188824.db2.gz	CAJLSZSFNGAMOK-CWKFCGSDSA-N	-2	0	330.318	-0.151	20	0		EBADRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NCCC(=O)[O-])c1	ZINC001598923190	997607623	/nfs/dbraw/zinc/60/76/23/997607623.db2.gz	YKFBMVYXQNYOEO-UHFFFAOYSA-N	-2	0	331.302	-0.076	20	0		EBADRL
COCCOCCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001599250842	998227346	/nfs/dbraw/zinc/22/73/46/998227346.db2.gz	BCEXWWVKWLVXAL-UHFFFAOYSA-N	-2	0	338.382	-0.803	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC001599165084	998528035	/nfs/dbraw/zinc/52/80/35/998528035.db2.gz	CTOMXYDVTGKMPT-NXEZZACHSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)[O-]	ZINC001599018692	998960405	/nfs/dbraw/zinc/96/04/05/998960405.db2.gz	OODJGIMVSMOHMM-UHFFFAOYSA-N	-2	0	337.331	-0.014	20	0		EBADRL
COC(CN(CCC(=O)[O-])C(=O)c1c[n-]n2c1nccc2=O)OC	ZINC001599046217	999152587	/nfs/dbraw/zinc/15/25/87/999152587.db2.gz	CUKRRZYLCZOJQB-UHFFFAOYSA-N	-2	0	338.320	-0.442	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001594454370	999656536	/nfs/dbraw/zinc/65/65/36/999656536.db2.gz	NGDQXLBTGMMMGZ-MMWGEVLESA-N	-2	0	342.348	-0.744	20	0		EBADRL
COC[C@H](NC(=O)c1nc[n-]c(=O)c1Br)c1nnn[n-]1	ZINC001412600421	1129572408	/nfs/dbraw/zinc/57/24/08/1129572408.db2.gz	DGLKJQTXOHYPAC-BYPYZUCNSA-N	-2	0	344.129	-0.425	20	0		EBADRL
CCn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000387714584	377479886	/nfs/dbraw/zinc/47/98/86/377479886.db2.gz	RTKOCEGINKJGIL-BDAKNGLRSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@H]1CN(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])C[C@H](C)O1	ZINC000319096837	378524085	/nfs/dbraw/zinc/52/40/85/378524085.db2.gz	VAHGSFGYRWQDHD-LPEHRKFASA-N	-2	0	338.382	-0.362	20	0		EBADRL
C[C@@]1(c2ccc(CNC(=O)N3CC(C(=O)[O-])C3)cc2)NC(=O)NC1=O	ZINC000621830124	379363124	/nfs/dbraw/zinc/36/31/24/379363124.db2.gz	ZSTNGWZTXCMNJE-INIZCTEOSA-N	-2	0	346.343	-0.033	20	0		EBADRL
CN(CC(=O)[O-])C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1	ZINC000621829791	379363233	/nfs/dbraw/zinc/36/32/33/379363233.db2.gz	KKYVGNFGNXXFGL-HNNXBMFYSA-N	-2	0	334.332	-0.033	20	0		EBADRL
Cc1ncc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1C#N	ZINC000390687920	379497750	/nfs/dbraw/zinc/49/77/50/379497750.db2.gz	YEABZSFQJMEXKL-SNVBAGLBSA-N	-2	0	327.318	-0.142	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])oc1C	ZINC000275021517	379731483	/nfs/dbraw/zinc/73/14/83/379731483.db2.gz	DLWIUKOTJBOGJS-QMMMGPOBSA-N	-2	0	349.317	-0.029	20	0		EBADRL
Nc1ncc(Cl)cc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000275041054	379732159	/nfs/dbraw/zinc/73/21/59/379732159.db2.gz	VLMCVRPTIRNFRF-RXMQYKEDSA-N	-2	0	337.741	-0.229	20	0		EBADRL
COCCn1cc(S(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-])cn1	ZINC000278797199	379933105	/nfs/dbraw/zinc/93/31/05/379933105.db2.gz	VSGUBNKVZUFKSK-SNVBAGLBSA-N	-2	0	349.365	-0.484	20	0		EBADRL
CNC(=O)c1ccc(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000564217102	379994310	/nfs/dbraw/zinc/99/43/10/379994310.db2.gz	ZBZPUUXPQNUCDX-SNVBAGLBSA-N	-2	0	344.345	-0.607	20	0		EBADRL
Cc1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000547573402	380147941	/nfs/dbraw/zinc/14/79/41/380147941.db2.gz	QIJHFAIUIZEILB-QMMMGPOBSA-N	-2	0	344.345	-0.452	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CCOC)CCC(=O)[O-]	ZINC000548233490	380191914	/nfs/dbraw/zinc/19/19/14/380191914.db2.gz	UCUOTVPGVWIKEJ-UHFFFAOYSA-N	-2	0	349.365	-0.302	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cn1	ZINC000548219535	380192719	/nfs/dbraw/zinc/19/27/19/380192719.db2.gz	NWGBPEXQQMGFKH-ZETCQYMHSA-N	-2	0	346.317	-0.678	20	0		EBADRL
Cn1cn[n-]c1=NC(=O)c1ccc(C(=O)N=c2[n-]ncn2C)cc1	ZINC000361586722	380325171	/nfs/dbraw/zinc/32/51/71/380325171.db2.gz	IBXLMFHUPDLZPS-UHFFFAOYSA-N	-2	0	326.320	-0.708	20	0		EBADRL
Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C(N)=O	ZINC000316275992	380595886	/nfs/dbraw/zinc/59/58/86/380595886.db2.gz	JGCJEKQCHUATQJ-UHFFFAOYSA-N	-2	0	330.318	-0.746	20	0		EBADRL
COc1ccc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1	ZINC000576044103	380755281	/nfs/dbraw/zinc/75/52/81/380755281.db2.gz	IMZAMDUFVWFWBG-GFCCVEGCSA-N	-2	0	332.334	-0.066	20	0		EBADRL
Cc1cc(C(=O)NC2(c3nnn[n-]3)CC2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000577809585	380845236	/nfs/dbraw/zinc/84/52/36/380845236.db2.gz	RBGKMKCQHMFSNA-UHFFFAOYSA-N	-2	0	328.292	-0.323	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cs1	ZINC000274927464	292002799	/nfs/dbraw/zinc/00/27/99/292002799.db2.gz	CJAAXEVJHJHAOZ-UHFFFAOYSA-N	-2	0	337.331	-0.305	20	0		EBADRL
COC(=O)c1ccc(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000275044215	292011596	/nfs/dbraw/zinc/01/15/96/292011596.db2.gz	WCJAYMHVHXEHSV-UHFFFAOYSA-N	-2	0	345.329	-0.226	20	0		EBADRL
C[C@@]1(c2cccc(C(=O)N[C@@]3(C(=O)[O-])CCOC3)c2)NC(=O)NC1=O	ZINC000262933516	154251037	/nfs/dbraw/zinc/25/10/37/154251037.db2.gz	KGENQGQWVSWARY-HOTGVXAUSA-N	-2	0	347.327	-0.285	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1C	ZINC000274882274	154626397	/nfs/dbraw/zinc/62/63/97/154626397.db2.gz	DBFOXOVIPYWGJR-JTQLQIEISA-N	-2	0	345.329	-0.012	20	0		EBADRL
Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274941709	154629845	/nfs/dbraw/zinc/62/98/45/154629845.db2.gz	RCOCVBVPDAFSDO-ZETCQYMHSA-N	-2	0	344.301	-0.662	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274952367	154632776	/nfs/dbraw/zinc/63/27/76/154632776.db2.gz	IESFPLUOULFILR-SECBINFHSA-N	-2	0	345.329	-0.073	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000287415797	154943539	/nfs/dbraw/zinc/94/35/39/154943539.db2.gz	FPCJYEZISDSHPG-ZETCQYMHSA-N	-2	0	325.339	-0.720	20	0		EBADRL
Cc1c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cnn1C	ZINC000291840376	155024939	/nfs/dbraw/zinc/02/49/39/155024939.db2.gz	HFZYLUNNHFEUFA-DTWKUNHWSA-N	-2	0	331.350	-0.475	20	0		EBADRL
O=C([O-])[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000296971252	155079238	/nfs/dbraw/zinc/07/92/38/155079238.db2.gz	OSBBVZLSBJOGRV-LURJTMIESA-N	-2	0	335.725	-0.010	20	0		EBADRL
O=c1[n-]c(CN2CCN(Cc3n[nH]c(=O)[n-]3)[C@H]3CCCC[C@@H]32)n[nH]1	ZINC000339737249	155763069	/nfs/dbraw/zinc/76/30/69/155763069.db2.gz	KLHQEQUHMUOUER-UWVGGRQHSA-N	-2	0	334.384	-0.037	20	0		EBADRL
Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1c(C)onc1N)C(=O)[O-]	ZINC000580453184	420653251	/nfs/dbraw/zinc/65/32/51/420653251.db2.gz	QRBGZDUKWSWJGV-VIFPVBQESA-N	-2	0	343.365	0.020	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000515656721	420658017	/nfs/dbraw/zinc/65/80/17/420658017.db2.gz	KOJWQBTWXHGILG-NKWVEPMBSA-N	-2	0	333.322	-0.639	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)CC2	ZINC000656157047	420882459	/nfs/dbraw/zinc/88/24/59/420882459.db2.gz	DNHIEIIFYHUZKD-UHFFFAOYSA-N	-2	0	327.314	-0.025	20	0		EBADRL
O=C([O-])[C@@H]1CN(c2cc(N3CCO[C@H](C(=O)[O-])C3)ncn2)CCO1	ZINC000662883448	421106628	/nfs/dbraw/zinc/10/66/28/421106628.db2.gz	KFVJRULPNJBQHG-UWVGGRQHSA-N	-2	0	338.320	-0.944	20	0		EBADRL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(OC)c1	ZINC000275062344	295187121	/nfs/dbraw/zinc/18/71/21/295187121.db2.gz	ZCSOKNADQYTCJC-UHFFFAOYSA-N	-2	0	333.318	-0.136	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C	ZINC000596033547	545801554	/nfs/dbraw/zinc/80/15/54/545801554.db2.gz	INUGBSMPOQSNLF-UHFFFAOYSA-N	-2	0	335.290	-0.465	20	0		EBADRL
CCc1nn(C)c(CC)c1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000681577981	546306931	/nfs/dbraw/zinc/30/69/31/546306931.db2.gz	JHRGIMHCVVVRBF-MRVPVSSYSA-N	-2	0	347.393	-0.001	20	0		EBADRL
Cc1noc2ncc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000681555867	546307183	/nfs/dbraw/zinc/30/71/83/546307183.db2.gz	DWAWVIRAUKCPQP-MRVPVSSYSA-N	-2	0	329.290	-0.263	20	0		EBADRL
Cc1noc2ncc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc12	ZINC000681578272	546307650	/nfs/dbraw/zinc/30/76/50/546307650.db2.gz	OBIQAVOMLIWPBG-ZETCQYMHSA-N	-2	0	343.317	-0.015	20	0		EBADRL
O=C([O-])CC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000681681939	546308993	/nfs/dbraw/zinc/30/89/93/546308993.db2.gz	KULRBGLLWJPFNV-SSDOTTSWSA-N	-2	0	341.292	-0.256	20	0		EBADRL
COCCS(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000684562311	546372666	/nfs/dbraw/zinc/37/26/66/546372666.db2.gz	UBYCMZOFZIWQGQ-GFCCVEGCSA-N	-2	0	345.373	-0.125	20	0		EBADRL
CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1	ZINC000736839648	582960654	/nfs/dbraw/zinc/96/06/54/582960654.db2.gz	GWVGKIOZBZITQJ-JTQLQIEISA-N	-2	0	334.394	-0.054	20	0		EBADRL
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C(=O)[O-]	ZINC000737134868	582991958	/nfs/dbraw/zinc/99/19/58/582991958.db2.gz	FXNFGFHZNQCOQF-VGMNWLOBSA-N	-2	0	334.350	-0.904	20	0		EBADRL
CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000737311981	583004637	/nfs/dbraw/zinc/00/46/37/583004637.db2.gz	JKIADXJTKGUTJY-UHFFFAOYSA-N	-2	0	344.393	-0.017	20	0		EBADRL
O=C(CSc1n[n-]c(=S)s1)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000778852800	583427633	/nfs/dbraw/zinc/42/76/33/583427633.db2.gz	KOGJENHZRPZCNH-RXMQYKEDSA-N	-2	0	345.431	-0.319	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)c1cc[nH]n1	ZINC000796883589	583597551	/nfs/dbraw/zinc/59/75/51/583597551.db2.gz	VGBHQNNXLPMXRP-UHFFFAOYSA-N	-2	0	328.272	-0.328	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000815948593	583713394	/nfs/dbraw/zinc/71/33/94/583713394.db2.gz	ORXQTCKIIWKQPB-SFYZADRCSA-N	-2	0	346.327	-0.076	20	0		EBADRL
O=C([O-])c1ccccc1OCCN1CCS(=O)(=O)C[C@H]1C(=O)[O-]	ZINC000817874504	583730667	/nfs/dbraw/zinc/73/06/67/583730667.db2.gz	FSRVFFOAUNRGIH-NSHDSACASA-N	-2	0	343.357	-0.053	20	0		EBADRL
Cc1oc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc1S(=O)(=O)N(C)C	ZINC000820282030	583770312	/nfs/dbraw/zinc/77/03/12/583770312.db2.gz	IABNDBVBFZOBKH-UHFFFAOYSA-N	-2	0	331.310	-0.775	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc(-c3nnn[n-]3)n2)cc1	ZINC000822267293	583809137	/nfs/dbraw/zinc/80/91/37/583809137.db2.gz	RIGYPKHANAZESF-UHFFFAOYSA-N	-2	0	348.348	-0.728	20	0		EBADRL
C[C@@H]1CCCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H]1CNC(=O)[O-]	ZINC000825914160	583870642	/nfs/dbraw/zinc/87/06/42/583870642.db2.gz	XTNSXDYQJKICRZ-KOLCDFICSA-N	-2	0	348.363	-0.034	20	0		EBADRL
C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000826126005	583880827	/nfs/dbraw/zinc/88/08/27/583880827.db2.gz	MBSCSHKUIDGOQT-IONNQARKSA-N	-2	0	340.336	-0.281	20	0		EBADRL
C[C@H]1OC(C)(C)N(C(=O)[O-])[C@H]1CNC(=O)c1cnc([O-])n(C)c1=O	ZINC000826126003	583880905	/nfs/dbraw/zinc/88/09/05/583880905.db2.gz	MBSCSHKUIDGOQT-APPZFPTMSA-N	-2	0	340.336	-0.281	20	0		EBADRL
CCN(Cc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1)C(=O)[O-]	ZINC000827166229	583915958	/nfs/dbraw/zinc/91/59/58/583915958.db2.gz	BAAZJOFKHASFKN-UHFFFAOYSA-N	-2	0	347.335	-0.046	20	0		EBADRL
CN(Cc1cccc(NC(=O)C(=O)NCc2nnn[n-]2)c1)C(=O)[O-]	ZINC000828370430	583938024	/nfs/dbraw/zinc/93/80/24/583938024.db2.gz	ZEEQHMFBUGOKDZ-UHFFFAOYSA-N	-2	0	333.308	-0.436	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000828671021	583944871	/nfs/dbraw/zinc/94/48/71/583944871.db2.gz	PJFFZQKBEAVXMY-ZETCQYMHSA-N	-2	0	340.379	-0.562	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)C1(CNC(=O)[O-])CCCC1	ZINC000828963800	583948992	/nfs/dbraw/zinc/94/89/92/583948992.db2.gz	DCWLHHRKMNFPJL-UHFFFAOYSA-N	-2	0	337.398	-0.246	20	0		EBADRL
CS(=O)(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000829669822	583955666	/nfs/dbraw/zinc/95/56/66/583955666.db2.gz	PZTUXZBUNRHNCL-MRVPVSSYSA-N	-2	0	342.395	-0.991	20	0		EBADRL
CS(=O)(=O)c1nc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)n[n-]1	ZINC000829699603	583957218	/nfs/dbraw/zinc/95/72/18/583957218.db2.gz	MHYUPHXOSGUPNT-RNFRBKRXSA-N	-2	0	331.354	-0.027	20	0		EBADRL
O=C(C[C@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)c1ccccn1	ZINC000831389062	583982419	/nfs/dbraw/zinc/98/24/19/583982419.db2.gz	ZBDAMUSILZQDKQ-VIFPVBQESA-N	-2	0	329.334	-0.345	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])NCCCc1n[nH]c(=O)[n-]1	ZINC000831475377	583983180	/nfs/dbraw/zinc/98/31/80/583983180.db2.gz	ZIYQKYVAJIIROH-VIFPVBQESA-N	-2	0	327.341	-0.282	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)C1	ZINC000831747933	583991131	/nfs/dbraw/zinc/99/11/31/583991131.db2.gz	OXMYCYKDARZVKE-ZJUUUORDSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)C1	ZINC000831747862	583991146	/nfs/dbraw/zinc/99/11/46/583991146.db2.gz	MVQHOLDIXXFBKU-QMMMGPOBSA-N	-2	0	339.333	-0.459	20	0		EBADRL
COCCc1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n(C)n1	ZINC000831795652	583991847	/nfs/dbraw/zinc/99/18/47/583991847.db2.gz	CPGLIPIWWBGXDF-UHFFFAOYSA-N	-2	0	343.365	-0.309	20	0		EBADRL
O=C([O-])N[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1	ZINC000832325681	583997361	/nfs/dbraw/zinc/99/73/61/583997361.db2.gz	MUEJDWCSMCLJBU-ZJUUUORDSA-N	-2	0	335.382	-0.494	20	0		EBADRL
COc1cccc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)n1	ZINC000832518684	583998856	/nfs/dbraw/zinc/99/88/56/583998856.db2.gz	PZIVBEMJIDXFAU-UHFFFAOYSA-N	-2	0	343.361	-0.139	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2)cn1	ZINC000833274596	584008162	/nfs/dbraw/zinc/00/81/62/584008162.db2.gz	HDPWZAFOJXVDKK-UHFFFAOYSA-N	-3	0	349.332	-0.051	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000833699964	584014104	/nfs/dbraw/zinc/01/41/04/584014104.db2.gz	FFYNUJZRQWBVPG-ZJUUUORDSA-N	-2	0	326.330	-0.428	20	0		EBADRL
Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000833945869	584020312	/nfs/dbraw/zinc/02/03/12/584020312.db2.gz	JWNHCEDQEQBSDI-JTQLQIEISA-N	-2	0	344.393	-0.104	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@H](CC(F)F)NC(=O)[O-])cn1	ZINC000833949976	584020742	/nfs/dbraw/zinc/02/07/42/584020742.db2.gz	CLZKDCOWEQGVDT-LURJTMIESA-N	-2	0	326.281	-0.484	20	0		EBADRL
O=C([O-])N1CCO[C@H](C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)C1	ZINC000834050836	584025494	/nfs/dbraw/zinc/02/54/94/584025494.db2.gz	GWMBILXAEWTYDX-QMMMGPOBSA-N	-2	0	349.752	-0.081	20	0		EBADRL
O=C([O-])CCN(C[C@H]1CCCO1)C(=O)COC1CN(C(=O)[O-])C1	ZINC000834060763	584025668	/nfs/dbraw/zinc/02/56/68/584025668.db2.gz	VCGAWIBZNDUUOU-SNVBAGLBSA-N	-2	0	330.337	-0.153	20	0		EBADRL
O=C([O-])N1CCC2(C[C@H]2C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)CC1	ZINC000834086229	584026105	/nfs/dbraw/zinc/02/61/05/584026105.db2.gz	CEHOQVYHBTYXQN-VHSXEESVSA-N	-2	0	336.352	-0.120	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000834134360	584026764	/nfs/dbraw/zinc/02/67/64/584026764.db2.gz	ISCAZDRBSRPVOH-BQBZGAKWSA-N	-2	0	330.309	-0.240	20	0		EBADRL
O=C([O-])N1CCC2(C[C@@H]2C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1	ZINC000834291425	584030904	/nfs/dbraw/zinc/03/09/04/584030904.db2.gz	YUWMUESCUWBDIL-NXEZZACHSA-N	-2	0	336.348	-0.471	20	0		EBADRL
Cn1nnc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC000852732333	584214882	/nfs/dbraw/zinc/21/48/82/584214882.db2.gz	BAAAFHFGXYBDMS-XPUUQOCRSA-N	-2	0	336.274	-0.694	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)cc1C(N)=O	ZINC000863953652	584380781	/nfs/dbraw/zinc/38/07/81/584380781.db2.gz	ZBHHTADLUXVECC-UHFFFAOYSA-N	-2	0	341.345	-0.650	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C(N)=O	ZINC000863953628	584380856	/nfs/dbraw/zinc/38/08/56/584380856.db2.gz	YKKJGOQFDIGHTK-SFYZADRCSA-N	-2	0	343.361	-0.570	20	0		EBADRL
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC000863958589	584381277	/nfs/dbraw/zinc/38/12/77/584381277.db2.gz	DGQVEGKGUOVXBI-NKWVEPMBSA-N	-2	0	345.333	-0.568	20	0		EBADRL
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863959023	584381487	/nfs/dbraw/zinc/38/14/87/584381487.db2.gz	QSCHFIYCWPXQQT-RNFRBKRXSA-N	-2	0	327.380	-0.552	20	0		EBADRL
CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc1	ZINC000863961563	584381755	/nfs/dbraw/zinc/38/17/55/584381755.db2.gz	RPNPNOINCVTGLF-UHFFFAOYSA-N	-2	0	328.346	-0.143	20	0		EBADRL
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C3CC3)ccc21	ZINC000863965899	584382366	/nfs/dbraw/zinc/38/23/66/584382366.db2.gz	OQJGTQUPEWDKIB-LLVKDONJSA-N	-2	0	338.345	-0.116	20	0		EBADRL
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000739546376	599728117	/nfs/dbraw/zinc/72/81/17/599728117.db2.gz	HMTVPDVQTJSSTA-RKDXNWHRSA-N	-2	0	327.314	-0.017	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000739873488	599871280	/nfs/dbraw/zinc/87/12/80/599871280.db2.gz	BYTPCMPWDJETLW-ZETCQYMHSA-N	-3	0	333.274	-0.703	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)CCN1C(=O)COc2ccccc21	ZINC000739842275	600179817	/nfs/dbraw/zinc/17/98/17/600179817.db2.gz	FVDOONYUFXASSF-UHFFFAOYSA-N	-2	0	342.329	-0.667	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1	ZINC000739825585	600261304	/nfs/dbraw/zinc/26/13/04/600261304.db2.gz	KDLNSPQGTSELII-LLVKDONJSA-N	-2	0	333.304	-0.123	20	0		EBADRL
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])s1	ZINC000738548331	602622411	/nfs/dbraw/zinc/62/24/11/602622411.db2.gz	HQHMEMXGYCILBX-UHFFFAOYSA-N	-2	0	349.390	-0.201	20	0		EBADRL
O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740626521	602778091	/nfs/dbraw/zinc/77/80/91/602778091.db2.gz	YMVQGSJDQARBOR-WCBMZHEXSA-N	-2	0	334.336	-0.376	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CCN(C(=O)[O-])C2)c1Cl	ZINC000740297912	602962052	/nfs/dbraw/zinc/96/20/52/602962052.db2.gz	YLNNCFHYILVNAD-ZCFIWIBFSA-N	-2	0	336.757	-0.122	20	0		EBADRL
O=C(COC1CN(C(=O)[O-])C1)N[C@@H](c1nnn[n-]1)c1ccccc1	ZINC000831529307	603472925	/nfs/dbraw/zinc/47/29/25/603472925.db2.gz	JATOUMBWDILLKD-GFCCVEGCSA-N	-2	0	332.320	-0.216	20	0		EBADRL
CNC(=O)N[N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1	ZINC000057124735	649960165	/nfs/dbraw/zinc/96/01/65/649960165.db2.gz	DIQINOJSCIGMSE-UHFFFAOYSA-N	-2	0	333.322	-0.476	20	0		EBADRL
CC[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000916110177	650272455	/nfs/dbraw/zinc/27/24/55/650272455.db2.gz	RANZLTWZGKVKFH-JTQLQIEISA-N	-2	0	344.345	-0.358	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC000918062398	650286780	/nfs/dbraw/zinc/28/67/80/650286780.db2.gz	RQIMWGMJXNWJRS-SSDOTTSWSA-N	-3	0	335.265	-0.270	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)c1[O-]	ZINC000940039061	653076137	/nfs/dbraw/zinc/07/61/37/653076137.db2.gz	XQVPTMLQLILQQF-MRVPVSSYSA-N	-2	0	334.336	-0.195	20	0		EBADRL
O=C(NC1CN(Cc2n[nH]c(=O)[n-]2)C1)c1ccc2oc(=O)nc-2[n-]1	ZINC001031251643	730695272	/nfs/dbraw/zinc/69/52/72/730695272.db2.gz	SXPREKMFKOPZNC-UHFFFAOYSA-N	-2	0	331.292	-0.634	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1[O-]	ZINC001050025087	734825640	/nfs/dbraw/zinc/82/56/40/734825640.db2.gz	NZVSBESTRJOISF-VHSXEESVSA-N	-2	0	347.379	-0.016	20	0		EBADRL
COc1ccnc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1OC	ZINC001223100732	811683129	/nfs/dbraw/zinc/68/31/29/811683129.db2.gz	XEBGJUGBXSUKRA-RDDDGLTNSA-N	-2	0	343.288	-0.322	20	0		EBADRL
NC(=O)c1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223724142	811727251	/nfs/dbraw/zinc/72/72/51/811727251.db2.gz	OGYQARSHSMUXDC-KOLCDFICSA-N	-2	0	325.273	-0.635	20	0		EBADRL
COc1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)n1	ZINC001224117171	811746658	/nfs/dbraw/zinc/74/66/58/811746658.db2.gz	LZPNUWBIMLSVCN-CABZTGNLSA-N	-2	0	327.289	-0.022	20	0		EBADRL
O=C(OCCCO[C@@H]1CCCCO1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224525965	811763097	/nfs/dbraw/zinc/76/30/97/811763097.db2.gz	RKCMEYXSBCRGBL-NXEZZACHSA-N	-2	0	328.254	-0.067	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc(-n2cnnn2)cc1)[C@@H](O)C(=O)[O-]	ZINC001225486675	811813180	/nfs/dbraw/zinc/81/31/80/811813180.db2.gz	VCCIFTYKLFNPMP-MWLCHTKSSA-N	-2	0	336.260	-0.896	20	0		EBADRL
CCNC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225483521	811813615	/nfs/dbraw/zinc/81/36/15/811813615.db2.gz	LKDQAGZHAUAQCO-BXKDBHETSA-N	-2	0	339.300	-0.122	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nccc(C(F)(F)F)n1)[C@@H](O)C(=O)[O-]	ZINC001225709635	811825227	/nfs/dbraw/zinc/82/52/27/811825227.db2.gz	AVCIFEBUPFSEFJ-MHTLYPKNSA-N	-2	0	338.194	-0.063	20	0		EBADRL
O=C(Oc1ccnc(C(F)(F)F)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225834559	811832157	/nfs/dbraw/zinc/83/21/57/811832157.db2.gz	ZOZCIGDZKQNTHH-SCSAIBSYSA-N	-2	0	332.127	-0.129	20	0		EBADRL
CC(=O)Nc1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226151619	811848609	/nfs/dbraw/zinc/84/86/09/811848609.db2.gz	RXZTUTOTRALVOR-XCBNKYQSSA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cccc2c1NC(=O)CO2)[C@H](O)C(=O)[O-]	ZINC001226633821	811875147	/nfs/dbraw/zinc/87/51/47/811875147.db2.gz	KLJURQDGJNSRAX-INWYIAFRSA-N	-2	0	339.256	-0.541	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ccccc21)[C@H](O)C(=O)[O-]	ZINC001226980318	811894907	/nfs/dbraw/zinc/89/49/07/811894907.db2.gz	IBGYRLYFWPYAIL-XCBNKYQSSA-N	-3	0	336.256	-0.223	20	0		EBADRL
Cn1c(=O)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2ccccc21	ZINC001227092810	811902958	/nfs/dbraw/zinc/90/29/58/811902958.db2.gz	QHZUUQVURAXPDQ-SNVBAGLBSA-N	-2	0	343.228	-0.086	20	0		EBADRL
O=C(Oc1ccc2c(c1)CCC(=O)N2)[C@H](O)COP(=O)([O-])[O-]	ZINC001227243023	811912300	/nfs/dbraw/zinc/91/23/00/811912300.db2.gz	DMEVCEYJHLJGEM-SNVBAGLBSA-N	-2	0	331.217	-0.053	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl	ZINC001227953386	811952984	/nfs/dbraw/zinc/95/29/84/811952984.db2.gz	KBDZEGDFJKXREY-XCBNKYQSSA-N	-2	0	345.691	-0.119	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cccnc21)[C@H](O)C(=O)[O-]	ZINC001228005484	811956433	/nfs/dbraw/zinc/95/64/33/811956433.db2.gz	SKCUCFXPFFUKEI-ANLVUFKYSA-N	-3	0	337.244	-0.828	20	0		EBADRL
CN(C)C(=O)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228343309	811975231	/nfs/dbraw/zinc/97/52/31/811975231.db2.gz	OVVLRMXTSITWIC-SECBINFHSA-N	-2	0	333.233	-0.236	20	0		EBADRL
CCCOc1nnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1C	ZINC001228457423	811981088	/nfs/dbraw/zinc/98/10/88/811981088.db2.gz	QSTBSXAXGHJZKI-HTRCEHHLSA-N	-2	0	331.281	-0.954	20	0		EBADRL
COC(=O)c1ccc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228788244	811996640	/nfs/dbraw/zinc/99/66/40/811996640.db2.gz	OYGMTDBKMSIKEI-WCBMZHEXSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C(Oc1cc2c(cc1O)CCC2=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228855808	812000349	/nfs/dbraw/zinc/00/03/49/812000349.db2.gz	RIXBHSVJHAXIRX-SNVBAGLBSA-N	-2	0	332.201	-0.103	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001229101949	812011972	/nfs/dbraw/zinc/01/19/72/812011972.db2.gz	BAQAZTZVGWGUCJ-KCJUWKMLSA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1nc(Cl)nc2n[nH]cc21)[C@@H](O)C(=O)[O-]	ZINC001231048684	812268271	/nfs/dbraw/zinc/26/82/71/812268271.db2.gz	RCUYQLFIMOEYCA-BBIVZNJYSA-N	-2	0	344.667	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(-c2nn[nH]n2)cc1)[C@@H](O)C(=O)[O-]	ZINC001231076934	812270398	/nfs/dbraw/zinc/27/03/98/812270398.db2.gz	OSKQPJGVKJCFSV-WCBMZHEXSA-N	-2	0	336.260	-0.692	20	0		EBADRL
COC(=O)c1ccc(C)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001234419751	812424670	/nfs/dbraw/zinc/42/46/70/812424670.db2.gz	FVQCKTCJWLZXQW-GMSGAONNSA-N	-2	0	341.272	-0.382	20	0		EBADRL
CS(=O)(=O)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001234544111	812439075	/nfs/dbraw/zinc/43/90/75/812439075.db2.gz	NRRAGRCDLYTUMH-MWLCHTKSSA-N	-2	0	346.313	-0.468	20	0		EBADRL
NC(=O)c1c(F)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1F	ZINC001234593495	812442199	/nfs/dbraw/zinc/44/21/99/812442199.db2.gz	RLHRIRJZMVKNGU-FWOIEVBISA-N	-2	0	347.226	-0.495	20	0		EBADRL
COCc1ncc(F)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001234881034	812447833	/nfs/dbraw/zinc/44/78/33/812447833.db2.gz	PCBRWLGBYPXYFL-ANLVUFKYSA-N	-2	0	332.240	-0.796	20	0		EBADRL
O=C(Oc1nccc(-c2ccncc2)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001234674438	812447987	/nfs/dbraw/zinc/44/79/87/812447987.db2.gz	JERBFOPACPVQIJ-SNVBAGLBSA-N	-2	0	341.216	-0.086	20	0		EBADRL
COCc1ncc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001234881038	812448296	/nfs/dbraw/zinc/44/82/96/812448296.db2.gz	PCBRWLGBYPXYFL-CDUCUWFYSA-N	-2	0	332.240	-0.796	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)NCCOP(=O)([O-])[O-]	ZINC001258458266	812793968	/nfs/dbraw/zinc/79/39/68/812793968.db2.gz	TUVASNDMBBYXML-UHFFFAOYSA-N	-2	0	333.690	-0.230	20	0		EBADRL
COC(=O)CS(=O)(=O)[N-]c1ccc(OC)cc1S(=O)(=O)[O-]	ZINC001259026289	812804752	/nfs/dbraw/zinc/80/47/52/812804752.db2.gz	NOBJKWXRZXQNFA-UHFFFAOYSA-N	-2	0	339.347	-0.143	20	0		EBADRL
C[C@H]1[C@H]([N-]C(=O)C(F)(F)C(F)(F)Cl)C(=O)N1S(=O)(=O)[O-]	ZINC001179779873	833010685	/nfs/dbraw/zinc/01/06/85/833010685.db2.gz	JRZWDQZMFYNSQL-HRFVKAFMSA-N	-2	0	342.654	-0.028	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1ccc(C(=O)[O-])s1	ZINC001174805471	832599724	/nfs/dbraw/zinc/59/97/24/832599724.db2.gz	SDLZNOVLYNRCAX-UHFFFAOYSA-N	-2	0	347.334	-0.543	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1c(F)cc([O-])cc1F	ZINC001175095576	832615023	/nfs/dbraw/zinc/61/50/23/832615023.db2.gz	IYWSMRGLPJQPGA-UHFFFAOYSA-N	-2	0	349.275	-0.318	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCS(=O)(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189933399	834210952	/nfs/dbraw/zinc/21/09/52/834210952.db2.gz	JHHFMWWREZFGBR-UHFFFAOYSA-N	-3	0	339.303	-0.793	20	0		EBADRL
NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1	ZINC001190732056	834326799	/nfs/dbraw/zinc/32/67/99/834326799.db2.gz	WNHIHMPUZITUKE-UHFFFAOYSA-N	-2	0	345.362	-0.433	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cncc(N2CCOCC2)c1	ZINC001199273449	835786165	/nfs/dbraw/zinc/78/61/65/835786165.db2.gz	XCRVPIIXHSWTAR-UHFFFAOYSA-N	-2	0	331.265	-0.243	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)c1ccccc1O)[C@H](O)C(=O)[O-]	ZINC001210591283	837302913	/nfs/dbraw/zinc/30/29/13/837302913.db2.gz	DZUJLHHBVYVRAO-UFBFGSQYSA-N	-2	0	326.257	-0.346	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)c1ccccc1O)[C@H](O)C(=O)[O-]	ZINC001210591277	837303457	/nfs/dbraw/zinc/30/34/57/837303457.db2.gz	DZUJLHHBVYVRAO-PELKAZGASA-N	-2	0	326.257	-0.346	20	0		EBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1	ZINC000357025469	971529724	/nfs/dbraw/zinc/52/97/24/971529724.db2.gz	HBFCKPYHEIOSGF-UHFFFAOYSA-N	-2	0	338.345	-0.204	20	0		EBADRL
O=C([O-])C1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCSCC1	ZINC001594868774	954326615	/nfs/dbraw/zinc/32/66/15/954326615.db2.gz	IUBJCNLOMUILDG-UHFFFAOYSA-N	-2	0	338.407	-0.722	20	0		EBADRL
Cn1cc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001594547855	955691944	/nfs/dbraw/zinc/69/19/44/955691944.db2.gz	ASYXVHYMADBBMF-JGVFFNPUSA-N	-2	0	340.317	-0.285	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1Cl	ZINC001594557971	955782032	/nfs/dbraw/zinc/78/20/32/955782032.db2.gz	PUSOXLBEQKTJTL-UHFFFAOYSA-N	-2	0	345.724	-0.320	20	0		EBADRL
Cn1cnnc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC001594559212	955792502	/nfs/dbraw/zinc/79/25/02/955792502.db2.gz	ATDUPJQUONZFSZ-CBAPKCEASA-N	-2	0	335.286	-0.089	20	0		EBADRL
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC001593968802	956591601	/nfs/dbraw/zinc/59/16/01/956591601.db2.gz	VWVSVKPITADERO-OAHLLOKOSA-N	-2	0	348.315	-0.001	20	0		EBADRL
C[C@](O)(C[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-]	ZINC001603263458	972449878	/nfs/dbraw/zinc/44/98/78/972449878.db2.gz	LLNRGWVGFDWDEC-YBTHPKLGSA-N	-2	0	336.391	-0.187	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@@H]3CO2)on1	ZINC000316055252	963971091	/nfs/dbraw/zinc/97/10/91/963971091.db2.gz	WXSHFPFAUHTXPV-BDAKNGLRSA-N	-2	0	331.350	-0.486	20	0		EBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-][C@@H](CCO)C(F)(F)F)CC1	ZINC001606022526	973113344	/nfs/dbraw/zinc/11/33/44/973113344.db2.gz	VPYIVRFSKUQWBQ-QMMMGPOBSA-N	-2	0	334.316	-0.069	20	0		EBADRL
Cn1cc(CCC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001605491124	973648895	/nfs/dbraw/zinc/64/88/95/973648895.db2.gz	NDRJDAMEDRLOJK-UHFFFAOYSA-N	-2	0	328.306	-0.456	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)COCc2ccccn2)on1	ZINC001605704550	974132929	/nfs/dbraw/zinc/13/29/29/974132929.db2.gz	PGANLFTVYHPDID-UHFFFAOYSA-N	-2	0	341.301	-0.211	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1	ZINC001592359894	977844472	/nfs/dbraw/zinc/84/44/72/977844472.db2.gz	NIYGYNGMGYQALS-BDAKNGLRSA-N	-2	0	331.350	-0.240	20	0		EBADRL
C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001592406818	977986505	/nfs/dbraw/zinc/98/65/05/977986505.db2.gz	XGWGBGZJNXBGCS-ZCFIWIBFSA-N	-2	0	338.363	-0.313	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O	ZINC001595371747	980854793	/nfs/dbraw/zinc/85/47/93/980854793.db2.gz	MVHJYCXBNSHTFH-JTQLQIEISA-N	-2	0	348.362	-0.245	20	0		EBADRL
CCN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC001596445012	984146133	/nfs/dbraw/zinc/14/61/33/984146133.db2.gz	WPSYAARPULYQEG-VIFPVBQESA-N	-2	0	346.361	-0.188	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-]	ZINC001596969355	986192121	/nfs/dbraw/zinc/19/21/21/986192121.db2.gz	ZGOUONKIUCOWQK-UHFFFAOYSA-N	-2	0	325.321	-0.050	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccco1	ZINC001589453248	986858985	/nfs/dbraw/zinc/85/89/85/986858985.db2.gz	PFBWXHCJCPKWEU-RKDXNWHRSA-N	-2	0	346.361	-0.045	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC001589453653	986864914	/nfs/dbraw/zinc/86/49/14/986864914.db2.gz	HOXCRTXNKRDTQX-BQBZGAKWSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cn2c(n1)COCC2	ZINC001589455263	986893642	/nfs/dbraw/zinc/89/36/42/986893642.db2.gz	XDXULMUHZHQARI-SFYZADRCSA-N	-2	0	331.350	-0.418	20	0		EBADRL
C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC001594656741	986909887	/nfs/dbraw/zinc/90/98/87/986909887.db2.gz	DELLUQJBGHYAEI-IONNQARKSA-N	-2	0	338.407	-0.124	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cnn(-c2ccccc2)n1	ZINC001589492115	987062439	/nfs/dbraw/zinc/06/24/39/987062439.db2.gz	RKFLWGQSKGFCFC-VIFPVBQESA-N	-2	0	338.345	-0.271	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(N2CCOCC2)nc1	ZINC001589492673	987065263	/nfs/dbraw/zinc/06/52/63/987065263.db2.gz	XUINGZSAUNPKPS-VIFPVBQESA-N	-2	0	343.361	-0.549	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC001589496526	987079117	/nfs/dbraw/zinc/07/91/17/987079117.db2.gz	XXLNYBSAISQMBH-BYPYZUCNSA-N	-3	0	334.272	-0.637	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)CCn1cnccc1=O)C(=O)[O-]	ZINC001590798920	990625588	/nfs/dbraw/zinc/62/55/88/990625588.db2.gz	HDERPVBKXTVBAJ-UHFFFAOYSA-N	-2	0	331.350	-0.810	20	0		EBADRL
CN(CC(=O)[N-]OCCCC(=O)[O-])S(=O)(=O)c1cccnc1	ZINC001598396834	991662741	/nfs/dbraw/zinc/66/27/41/991662741.db2.gz	RZFKOMRWDRNENQ-UHFFFAOYSA-N	-2	0	331.350	-0.385	20	0		EBADRL
CN(CCC(=O)[O-])C(=O)C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1	ZINC001598469799	992007697	/nfs/dbraw/zinc/00/76/97/992007697.db2.gz	XRYDICUBZMUKQQ-LLVKDONJSA-N	-2	0	340.254	-0.215	20	0		EBADRL
CC(C)CNC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])C1	ZINC001591370676	992404083	/nfs/dbraw/zinc/40/40/83/992404083.db2.gz	PDURNPIUIRZUAR-JTQLQIEISA-N	-2	0	349.409	-0.405	20	0		EBADRL
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)CC1=O	ZINC001598561826	993095826	/nfs/dbraw/zinc/09/58/26/993095826.db2.gz	DZYPHXKZBTZAKH-SNVBAGLBSA-N	-2	0	346.299	-0.603	20	0		EBADRL
COc1cc(C(=O)[O-])ccc1S(=O)(=O)N[C@H](CCO)C(=O)[O-]	ZINC001599383271	996895701	/nfs/dbraw/zinc/89/57/01/996895701.db2.gz	XVYDNNVURAXWJK-MRVPVSSYSA-N	-2	0	333.318	-0.493	20	0		EBADRL
COC(=O)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)[C@@H](C)O	ZINC001598893950	997043552	/nfs/dbraw/zinc/04/35/52/997043552.db2.gz	MDABYXFOOAYSFQ-ZJUUUORDSA-N	-2	0	337.394	-0.137	20	0		EBADRL
COC[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC001599194078	997182100	/nfs/dbraw/zinc/18/21/00/997182100.db2.gz	HOMGMKLTPJMCOO-ZDUSSCGKSA-N	-2	0	346.361	-0.165	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1	ZINC001599319884	997563049	/nfs/dbraw/zinc/56/30/49/997563049.db2.gz	CUYALYFBIFMPSH-AWEZNQCLSA-N	-2	0	329.353	-0.545	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-]	ZINC001599231783	997872522	/nfs/dbraw/zinc/87/25/22/997872522.db2.gz	FFDWRORJCCXGTK-UHFFFAOYSA-N	-2	0	330.362	-0.134	20	0		EBADRL
CO[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[C@@](C)(C(=O)[O-])C1	ZINC001599136209	998048229	/nfs/dbraw/zinc/04/82/29/998048229.db2.gz	ARSBPYWDPDMBSH-JVXZTZIISA-N	-2	0	332.334	-0.034	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCCC(=O)[O-]	ZINC001598969080	998480608	/nfs/dbraw/zinc/48/06/08/998480608.db2.gz	WAJWQODGWQAIEL-UHFFFAOYSA-N	-2	0	331.302	-0.076	20	0		EBADRL
COC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001599167899	998569701	/nfs/dbraw/zinc/56/97/01/998569701.db2.gz	WCCXYNCIJKEYSF-NWDGAFQWSA-N	-2	0	335.316	-0.078	20	0		EBADRL
COC[C@@H](NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C(=O)[O-]	ZINC001599169942	998596734	/nfs/dbraw/zinc/59/67/34/998596734.db2.gz	JDOXPSKJNKZQTD-SNVBAGLBSA-N	-2	0	337.357	-0.099	20	0		EBADRL
COC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1	ZINC001598985520	998693341	/nfs/dbraw/zinc/69/33/41/998693341.db2.gz	RRQPQNLFESZXNJ-MRVPVSSYSA-N	-2	0	329.330	-0.065	20	0		EBADRL
CO[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1cnn(C)c1	ZINC001599028018	999030152	/nfs/dbraw/zinc/03/01/52/999030152.db2.gz	HXSGONHKHAYGPU-VIFPVBQESA-N	-2	0	333.366	-0.336	20	0		EBADRL
CO[C@@H](CS(=O)(=O)[N-]c1n[nH]c(CC(=O)[O-])n1)[C@H]1CCOC1	ZINC001599060596	999262498	/nfs/dbraw/zinc/26/24/98/999262498.db2.gz	VHHKBAHILZAAFQ-YUMQZZPRSA-N	-2	0	334.354	-0.775	20	0		EBADRL
C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)C[C@@H]1C(=O)[O-]	ZINC001594388144	999468948	/nfs/dbraw/zinc/46/89/48/999468948.db2.gz	IIKMUWKDFZROAR-ZNSHCXBVSA-N	-2	0	326.349	-0.123	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1s[n-]c(=O)c1Cl	ZINC001362470997	1131589940	/nfs/dbraw/zinc/58/99/40/1131589940.db2.gz	VTMOLMVGUZHVCG-UHFFFAOYSA-N	-2	0	327.771	-0.302	20	0		EBADRL
CC(C)CN(Cc1nnn[n-]1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001362828265	1131687958	/nfs/dbraw/zinc/68/79/58/1131687958.db2.gz	ASFAQOYVRYQGEL-UHFFFAOYSA-N	-2	0	331.340	-0.731	20	0		EBADRL
COC(=O)[C@@H](C)CS(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275087350	291225391	/nfs/dbraw/zinc/22/53/91/291225391.db2.gz	JSBXFLDRUPLISN-QPUJVOFHSA-N	-2	0	337.350	-0.623	20	0		EBADRL
COCCN(CCOC)C(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000560080579	376634695	/nfs/dbraw/zinc/63/46/95/376634695.db2.gz	QDANAXGDEUEONO-AWEZNQCLSA-N	-2	0	332.353	-0.047	20	0		EBADRL
CC(=O)Nc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000274880440	379719834	/nfs/dbraw/zinc/71/98/34/379719834.db2.gz	CNYHAGLAGZSZDM-JTQLQIEISA-N	-2	0	348.308	-0.010	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1C	ZINC000274904513	379721814	/nfs/dbraw/zinc/72/18/14/379721814.db2.gz	IZWCDUKIBPKYAR-SNVBAGLBSA-N	-2	0	345.329	-0.012	20	0		EBADRL
Cc1nc(S(=O)(=O)N2CC[C@](CC(=O)[O-])(C(=O)[O-])C2)cn1C	ZINC000547596293	380149160	/nfs/dbraw/zinc/14/91/60/380149160.db2.gz	RVIFSRRZBBETRC-GFCCVEGCSA-N	-2	0	331.350	-0.331	20	0		EBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000547549634	380143962	/nfs/dbraw/zinc/14/39/62/380143962.db2.gz	BEUFJSLBRNNMFQ-VGMNWLOBSA-N	-2	0	337.350	-0.435	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2[nH]c(=O)oc2c1	ZINC000547876101	380166722	/nfs/dbraw/zinc/16/67/22/380166722.db2.gz	KHSJKNWLGVXYMF-UHFFFAOYSA-N	-2	0	330.274	-0.307	20	0		EBADRL
COC(=O)c1nscc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000548205022	380188829	/nfs/dbraw/zinc/18/88/29/380188829.db2.gz	AEMXVUMIJFURNR-BYPYZUCNSA-N	-2	0	338.319	-0.864	20	0		EBADRL
O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1	ZINC000548553439	380214263	/nfs/dbraw/zinc/21/42/63/380214263.db2.gz	CDSDSGYGFMUAOH-QMMMGPOBSA-N	-2	0	340.317	-0.423	20	0		EBADRL
CN1C(=O)Cc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc21	ZINC000274908219	380566073	/nfs/dbraw/zinc/56/60/73/380566073.db2.gz	JSOUPZKEKWOGPU-SECBINFHSA-N	-2	0	342.329	-0.588	20	0		EBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1	ZINC000336863365	380746765	/nfs/dbraw/zinc/74/67/65/380746765.db2.gz	GQHVVOXXUHZKFS-UHFFFAOYSA-N	-2	0	341.349	-0.533	20	0		EBADRL
C[C@H](O)CNS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000350944713	381598075	/nfs/dbraw/zinc/59/80/75/381598075.db2.gz	VFIILHFPEQXBLZ-ZETCQYMHSA-N	-2	0	326.371	-0.144	20	0		EBADRL
COC(=O)c1cc(F)ccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000275035305	292001347	/nfs/dbraw/zinc/00/13/47/292001347.db2.gz	URUGBODQSLDQRQ-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000227940964	154165868	/nfs/dbraw/zinc/16/58/68/154165868.db2.gz	TYFAKHLVXOLELV-MRVPVSSYSA-N	-2	0	325.339	-0.433	20	0		EBADRL
C[C@@](O)(CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC000262782890	154246891	/nfs/dbraw/zinc/24/68/91/154246891.db2.gz	JDZIYWAJWYYBFY-XHDPSFHLSA-N	-2	0	335.316	-0.342	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000264490371	154281982	/nfs/dbraw/zinc/28/19/82/154281982.db2.gz	NWWKMLUMWHROQJ-QMMMGPOBSA-N	-2	0	333.318	-0.090	20	0		EBADRL
COc1cncc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000281746525	154786268	/nfs/dbraw/zinc/78/62/68/154786268.db2.gz	FILQZEQBIRCDNH-QWRGUYRKSA-N	-2	0	344.345	-0.114	20	0		EBADRL
O=C(NCCCc1n[nH]c(=O)[n-]1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000359524812	157328553	/nfs/dbraw/zinc/32/85/53/157328553.db2.gz	QKRIWOXVTFMIGJ-UHFFFAOYSA-N	-2	0	331.292	-0.378	20	0		EBADRL
COC1(C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])CCC1	ZINC000652108527	419209685	/nfs/dbraw/zinc/20/96/85/419209685.db2.gz	QJUDAFBZPDHHCK-VIFPVBQESA-N	-2	0	325.321	-0.372	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000568635730	420658459	/nfs/dbraw/zinc/65/84/59/420658459.db2.gz	WDIUBNLJHYVFGE-NSHDSACASA-N	-2	0	333.322	-0.495	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000656513036	420897114	/nfs/dbraw/zinc/89/71/14/420897114.db2.gz	XJBPIMSPQFFBOR-UHFFFAOYSA-N	-2	0	330.318	-0.746	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1C(N)=O	ZINC000274979191	295199904	/nfs/dbraw/zinc/19/99/04/295199904.db2.gz	XMDLYMYIKJCNBE-MRVPVSSYSA-N	-2	0	346.317	-1.000	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000287450592	302795761	/nfs/dbraw/zinc/79/57/61/302795761.db2.gz	IATGLVPEOFBYLS-DTWKUNHWSA-N	-2	0	331.350	-0.475	20	0		EBADRL
CCc1nn(C)c(CC)c1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000681581869	546307566	/nfs/dbraw/zinc/30/75/66/546307566.db2.gz	HPARFIALDVSNQU-UHFFFAOYSA-N	-2	0	333.366	-0.295	20	0		EBADRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1	ZINC000737648708	582572800	/nfs/dbraw/zinc/57/28/00/582572800.db2.gz	GJDNAFVRJWRPRI-UHFFFAOYSA-N	-2	0	343.321	-0.413	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1	ZINC000737154545	582992850	/nfs/dbraw/zinc/99/28/50/582992850.db2.gz	CNWQZPGSLBSNNV-UHFFFAOYSA-N	-2	0	343.321	-0.332	20	0		EBADRL
COC(=O)CN(CC(=O)[O-])C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000737611744	583021531	/nfs/dbraw/zinc/02/15/31/583021531.db2.gz	FORQCLCVMPFIMQ-UHFFFAOYSA-N	-2	0	336.260	-0.864	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000776438270	583404142	/nfs/dbraw/zinc/40/41/42/583404142.db2.gz	STVZKEHOSHKWBI-ZCFIWIBFSA-N	-2	0	339.757	-0.022	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cn1C	ZINC000776437485	583404171	/nfs/dbraw/zinc/40/41/71/583404171.db2.gz	PLCYRFKXPXKBMJ-MRVPVSSYSA-N	-2	0	348.333	-0.592	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1F	ZINC000776644575	583407638	/nfs/dbraw/zinc/40/76/38/583407638.db2.gz	CBUVNNPBJOPMLD-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776636431	583407683	/nfs/dbraw/zinc/40/76/83/583407683.db2.gz	XZGCUZRTUYLIAP-QMMMGPOBSA-N	-2	0	343.313	-0.189	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776636430	583407733	/nfs/dbraw/zinc/40/77/33/583407733.db2.gz	XZGCUZRTUYLIAP-MRVPVSSYSA-N	-2	0	343.313	-0.189	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907239	583415927	/nfs/dbraw/zinc/41/59/27/583415927.db2.gz	MJLVNDIANQMPGI-SECBINFHSA-N	-2	0	331.350	-0.253	20	0		EBADRL
O=C([O-])CC[C@H](NS(=O)(=O)c1cnn(CC2CC2)c1)C(=O)[O-]	ZINC000777907809	583416014	/nfs/dbraw/zinc/41/60/14/583416014.db2.gz	BLPFKKYCBQUPRQ-JTQLQIEISA-N	-2	0	331.350	-0.111	20	0		EBADRL
NC(=O)c1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)nn1-c1ccccc1	ZINC000816731733	583720349	/nfs/dbraw/zinc/72/03/49/583720349.db2.gz	CLPDEGBHCNQGKD-UHFFFAOYSA-N	-2	0	329.276	-0.642	20	0		EBADRL
CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)OCC(=O)NCC(=O)[O-]	ZINC000820891040	583782567	/nfs/dbraw/zinc/78/25/67/583782567.db2.gz	VWTHNCMMICIONW-UHFFFAOYSA-N	-2	0	348.308	-0.445	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)c1cnn(C)c1	ZINC000823701222	583835913	/nfs/dbraw/zinc/83/59/13/583835913.db2.gz	BHHQLSDNZLQWRY-WCBMZHEXSA-N	-2	0	330.366	-0.278	20	0		EBADRL
C[C@H](CS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000827571670	583924034	/nfs/dbraw/zinc/92/40/34/583924034.db2.gz	OUIFXTRQNBWCBZ-MRVPVSSYSA-N	-2	0	344.345	-0.037	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000828903016	583948256	/nfs/dbraw/zinc/94/82/56/583948256.db2.gz	JWXRAZGWOJDCDI-UWVGGRQHSA-N	-2	0	338.382	-0.374	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)[O-])C1	ZINC000829002313	583949939	/nfs/dbraw/zinc/94/99/39/583949939.db2.gz	RDINESBUVDXJPX-LBPRGKRZSA-N	-2	0	338.382	-0.515	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnccn1	ZINC000829729110	583957759	/nfs/dbraw/zinc/95/77/59/583957759.db2.gz	CBKMCSLZEADJJA-ZETCQYMHSA-N	-2	0	334.379	-0.329	20	0		EBADRL
CCn1nc(C)c(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1C	ZINC000830445050	583967110	/nfs/dbraw/zinc/96/71/10/583967110.db2.gz	FQPSALQTAWNJPN-UHFFFAOYSA-N	-2	0	328.354	-0.003	20	0		EBADRL
O=C([O-])N1CCSC[C@H]1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000831403555	583982389	/nfs/dbraw/zinc/98/23/89/583982389.db2.gz	YIRYUDBRJIEXPD-RKDXNWHRSA-N	-2	0	342.381	-0.415	20	0		EBADRL
O=C(C[C@@H]1CN(C(=O)[O-])CCO1)[N-]S(=O)(=O)c1cccnc1	ZINC000831387115	583982428	/nfs/dbraw/zinc/98/24/28/583982428.db2.gz	BGNJTIICJSLRTM-SECBINFHSA-N	-2	0	329.334	-0.345	20	0		EBADRL
COC(=O)c1ccncc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000831457489	583982892	/nfs/dbraw/zinc/98/28/92/583982892.db2.gz	GDJQOPPAFOEIQZ-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)c1cnccn1	ZINC000831475030	583983194	/nfs/dbraw/zinc/98/31/94/583983194.db2.gz	VQPWMYLYGYIZDB-VIFPVBQESA-N	-2	0	344.349	-0.560	20	0		EBADRL
O=C([O-])NCC1(C(=O)[N-]S(=O)(=O)N2CCOCC2)CCCC1	ZINC000832443224	583998278	/nfs/dbraw/zinc/99/82/78/583998278.db2.gz	VPEDAOKJDWMFTN-UHFFFAOYSA-N	-2	0	335.382	-0.492	20	0		EBADRL
O=C([O-])NCc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1	ZINC000832701674	584000837	/nfs/dbraw/zinc/00/08/37/584000837.db2.gz	DPWXSESHTJIADZ-UHFFFAOYSA-N	-2	0	343.361	-0.239	20	0		EBADRL
NS(=O)(=O)c1ccc(NCCCc2n[nH]c(=O)[n-]2)c(C(=O)[O-])c1	ZINC000833089021	584005475	/nfs/dbraw/zinc/00/54/75/584005475.db2.gz	IJZPGZUXYWXKLP-UHFFFAOYSA-N	-2	0	341.349	-0.099	20	0		EBADRL
O=C(CC[C@H]1CCOC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000833097763	584005681	/nfs/dbraw/zinc/00/56/81/584005681.db2.gz	UMBPVRZKZDOHRZ-JTQLQIEISA-N	-2	0	334.394	-0.039	20	0		EBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1	ZINC000833279490	584008460	/nfs/dbraw/zinc/00/84/60/584008460.db2.gz	XOTSKSWYDIFWGE-UHFFFAOYSA-N	-2	0	344.345	-0.167	20	0		EBADRL
O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCCO3)n1	ZINC000833276889	584008477	/nfs/dbraw/zinc/00/84/77/584008477.db2.gz	SHIMWBDZCVBHHZ-UHFFFAOYSA-N	-2	0	340.317	-0.065	20	0		EBADRL
COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000833723453	584015208	/nfs/dbraw/zinc/01/52/08/584015208.db2.gz	FKVYEOZAILGFQL-UHFFFAOYSA-N	-2	0	347.345	-0.128	20	0		EBADRL
COC(=O)c1cncc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1	ZINC000833717973	584015288	/nfs/dbraw/zinc/01/52/88/584015288.db2.gz	WOLFVUBTQWCLRT-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)CC[C@@H]1CCCN1C(=O)[O-]	ZINC000833883873	584018786	/nfs/dbraw/zinc/01/87/86/584018786.db2.gz	VPUDPCWFODQDAL-JTQLQIEISA-N	-2	0	337.398	-0.152	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000834134367	584026727	/nfs/dbraw/zinc/02/67/27/584026727.db2.gz	ISCAZDRBSRPVOH-RQJHMYQMSA-N	-2	0	330.309	-0.240	20	0		EBADRL
COC(=O)CCS(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	ZINC000842358465	584063327	/nfs/dbraw/zinc/06/33/27/584063327.db2.gz	SKOXINCZSWWAPO-UHFFFAOYSA-N	-2	0	348.299	-0.547	20	0		EBADRL
CN(C)S(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233070	584167243	/nfs/dbraw/zinc/16/72/43/584167243.db2.gz	WGUHPBCCMRIKDG-BQBZGAKWSA-N	-2	0	347.315	-0.611	20	0		EBADRL
Cn1nncc1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000851700572	584200490	/nfs/dbraw/zinc/20/04/90/584200490.db2.gz	CAFASJPXBFYZQP-SVRRBLITSA-N	-2	0	349.269	-0.449	20	0		EBADRL
Cn1cc(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])nn1	ZINC000851704073	584200716	/nfs/dbraw/zinc/20/07/16/584200716.db2.gz	SARDXDGBDKLBFX-POYBYMJQSA-N	-2	0	349.269	-0.449	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1C(N)=O	ZINC000863952550	584380657	/nfs/dbraw/zinc/38/06/57/584380657.db2.gz	BGPWAEQCKYTCTB-VIFPVBQESA-N	-2	0	329.334	-0.960	20	0		EBADRL
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)CSCC(=O)[O-]	ZINC000863959022	584381462	/nfs/dbraw/zinc/38/14/62/584381462.db2.gz	QSCHFIYCWPXQQT-NKWVEPMBSA-N	-2	0	327.380	-0.552	20	0		EBADRL
COCc1ccccc1CS(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863960834	584381553	/nfs/dbraw/zinc/38/15/53/584381553.db2.gz	AVXICCCBZYMEIS-UHFFFAOYSA-N	-2	0	331.346	-0.120	20	0		EBADRL
COC(=O)CCS(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863960852	584381698	/nfs/dbraw/zinc/38/16/98/584381698.db2.gz	BKNQXWRUZKEKIG-UHFFFAOYSA-N	-2	0	345.329	-0.227	20	0		EBADRL
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000863966322	584382327	/nfs/dbraw/zinc/38/23/27/584382327.db2.gz	WSOGGGKFECSRBZ-UHFFFAOYSA-N	-2	0	333.322	-0.531	20	0		EBADRL
COC(=O)c1oc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1C	ZINC000863965724	584382331	/nfs/dbraw/zinc/38/23/31/584382331.db2.gz	ZSUNVUKFUXDXOJ-UHFFFAOYSA-N	-2	0	335.290	-0.719	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)c1	ZINC000863966009	584382352	/nfs/dbraw/zinc/38/23/52/584382352.db2.gz	QELNZNIJIREZTM-VIFPVBQESA-N	-2	0	331.302	-0.018	20	0		EBADRL
Cn1cc(CC(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)cn1	ZINC000739025138	599798168	/nfs/dbraw/zinc/79/81/68/599798168.db2.gz	BGFVFTHPKJNICB-UHFFFAOYSA-N	-2	0	330.366	-0.880	20	0		EBADRL
O=C([O-])[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CCO1	ZINC000738549227	599966783	/nfs/dbraw/zinc/96/67/83/599966783.db2.gz	RLNGYXMBUNHJIN-SNVBAGLBSA-N	-2	0	325.346	-0.206	20	0		EBADRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1cncc(Br)c1	ZINC000739932880	600130744	/nfs/dbraw/zinc/13/07/44/600130744.db2.gz	ZSTFOUGFSBWHJG-UHFFFAOYSA-N	-2	0	338.139	-0.083	20	0		EBADRL
Cn1cc(-c2nc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cs2)cn1	ZINC000739015850	600178886	/nfs/dbraw/zinc/17/88/86/600178886.db2.gz	QIUBRZGRKBUCTD-UHFFFAOYSA-N	-2	0	330.347	-0.312	20	0		EBADRL
NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1	ZINC000739156544	600392163	/nfs/dbraw/zinc/39/21/63/600392163.db2.gz	DLXKUPJUXWGHOC-UHFFFAOYSA-N	-2	0	328.306	-0.150	20	0		EBADRL
O=C([O-])N1CCC(CNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000740388958	602510410	/nfs/dbraw/zinc/51/04/10/602510410.db2.gz	YWUZUFRUGCSPGL-UHFFFAOYSA-N	-2	0	334.336	-0.423	20	0		EBADRL
CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-]	ZINC000739710526	602675719	/nfs/dbraw/zinc/67/57/19/602675719.db2.gz	MKZAXGFWUMEFGD-UHFFFAOYSA-N	-2	0	345.377	-0.236	20	0		EBADRL
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])c1	ZINC000738603199	602675786	/nfs/dbraw/zinc/67/57/86/602675786.db2.gz	WQOWADLSPRQUAI-UHFFFAOYSA-N	-2	0	344.345	-0.022	20	0		EBADRL
C[C@H]1CN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C[C@H](C)N1C(=O)[O-]	ZINC000739132258	602755195	/nfs/dbraw/zinc/75/51/95/602755195.db2.gz	FKQUTHXIFSYSSY-IUCAKERBSA-N	-2	0	334.336	-0.330	20	0		EBADRL
COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](CCSC)NC(=O)[O-]	ZINC000739804633	602998229	/nfs/dbraw/zinc/99/82/29/602998229.db2.gz	HPUTXWFTIRZJKG-YUMQZZPRSA-N	-2	0	328.412	-0.143	20	0		EBADRL
CCC(CC)S(=O)(=O)[N-]C(=O)CN1CCN(C(=O)[O-])CC1=O	ZINC000739253853	603146267	/nfs/dbraw/zinc/14/62/67/603146267.db2.gz	LPEKZHNOOXZXCK-UHFFFAOYSA-N	-2	0	335.382	-0.557	20	0		EBADRL
O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1n[nH]c(=O)[n-]1)c1cnc[nH]c1=O	ZINC001021292571	729304408	/nfs/dbraw/zinc/30/44/08/729304408.db2.gz	ZCCPDARZRBZFNS-PBINXNQUSA-N	-2	0	345.363	-0.069	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCC[C@H](N(C)Cc3n[nH]c(=O)[n-]3)C2)c1[O-]	ZINC001027370733	730210289	/nfs/dbraw/zinc/21/02/89/730210289.db2.gz	PXQARFLPYSENHZ-VIFPVBQESA-N	-2	0	335.368	-0.016	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCC(=O)c1cccc(O)c1)[C@@H](O)C(=O)[O-]	ZINC001222222657	811609876	/nfs/dbraw/zinc/60/98/76/811609876.db2.gz	NGYHYIDZBCHHCG-JOYOIKCWSA-N	-2	0	326.257	-0.346	20	0		EBADRL
NC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001222959437	811674470	/nfs/dbraw/zinc/67/44/70/811674470.db2.gz	ADHHWBCCXJBHPN-MWLCHTKSSA-N	-2	0	325.273	-0.635	20	0		EBADRL
COc1ccnc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1OC	ZINC001223100731	811682239	/nfs/dbraw/zinc/68/22/39/811682239.db2.gz	XEBGJUGBXSUKRA-HQJQHLMTSA-N	-2	0	343.288	-0.322	20	0		EBADRL
COC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223298737	811696050	/nfs/dbraw/zinc/69/60/50/811696050.db2.gz	QIZMOQKNFPCGAA-LDYMZIIASA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cncc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001223493841	811709385	/nfs/dbraw/zinc/70/93/85/811709385.db2.gz	SVIRDCBGQCZBSA-MWLCHTKSSA-N	-2	0	341.272	-0.552	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1nccc2c1OCO2)[C@@H](O)C(=O)[O-]	ZINC001223758116	811727994	/nfs/dbraw/zinc/72/79/94/811727994.db2.gz	YPHKXNQMXTXUEH-QUBYGPBYSA-N	-2	0	327.245	-0.610	20	0		EBADRL
COc1cc(OC)nc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223762102	811728563	/nfs/dbraw/zinc/72/85/63/811728563.db2.gz	FXPUFRYIMCJQBQ-KGFZYKRKSA-N	-2	0	344.276	-0.927	20	0		EBADRL
COC(=O)c1ccnc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001223990127	811738289	/nfs/dbraw/zinc/73/82/89/811738289.db2.gz	UVYSREXLCCZXBK-MWLCHTKSSA-N	-2	0	341.272	-0.552	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)Nc1ccccc1)[C@H](O)C(=O)[O-]	ZINC001224459463	811761637	/nfs/dbraw/zinc/76/16/37/811761637.db2.gz	BTTPJDOZHHRGBT-SKDRFNHKSA-N	-2	0	325.273	-0.295	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCCO[C@@H]1CCCCO1)[C@H](O)C(=O)[O-]	ZINC001224527390	811763500	/nfs/dbraw/zinc/76/35/00/811763500.db2.gz	ZZUJSUGLUDJHIW-WCQGTBRESA-N	-2	0	334.321	-0.001	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2[nH]c(=O)ccc2c1)[C@@H](O)C(=O)[O-]	ZINC001225402181	811808168	/nfs/dbraw/zinc/80/81/68/811808168.db2.gz	JFLWRQDOGBAKCD-TVQRCGJNSA-N	-2	0	335.268	-0.030	20	0		EBADRL
CCn1c(C)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1=O	ZINC001225440861	811811231	/nfs/dbraw/zinc/81/12/31/811811231.db2.gz	AILXQGCQAGIYSJ-SKDRFNHKSA-N	-2	0	327.289	-0.382	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001225766698	811827847	/nfs/dbraw/zinc/82/78/47/811827847.db2.gz	VEZWCBQKWWFVRX-XVKPBYJWSA-N	-2	0	327.245	-0.690	20	0		EBADRL
COCc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])[nH]c(=S)n1	ZINC001225936631	811837951	/nfs/dbraw/zinc/83/79/51/811837951.db2.gz	BNTGLGGSIMMNIB-RCOVLWMOSA-N	-2	0	346.317	-0.647	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)OCCO2)[C@@H](O)C(=O)[O-]	ZINC001226034067	811843609	/nfs/dbraw/zinc/84/36/09/811843609.db2.gz	SITPCGPXBAGZBW-PRHODGIISA-N	-2	0	326.257	-0.100	20	0		EBADRL
COC(=O)c1sccc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226266651	811855166	/nfs/dbraw/zinc/85/51/66/811855166.db2.gz	ADGROVUTYAXIOL-RXMQYKEDSA-N	-2	0	326.219	-0.090	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2c1CCC2)[C@H](O)C(=O)[O-]	ZINC001226343515	811861257	/nfs/dbraw/zinc/86/12/57/811861257.db2.gz	XRWQVSSZGTXMPO-MUWHJKNJSA-N	-2	0	326.261	-0.887	20	0		EBADRL
CCOC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n(C)n1	ZINC001226562231	811869053	/nfs/dbraw/zinc/86/90/53/811869053.db2.gz	YLWTVDUKIHHSGH-QUBYGPBYSA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2c1CCC2)[C@H](O)C(=O)[O-]	ZINC001226590664	811872607	/nfs/dbraw/zinc/87/26/07/811872607.db2.gz	AWTSBRUPDFQFKS-MADCSZMMSA-N	-2	0	325.273	-0.282	20	0		EBADRL
COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001226935092	811892303	/nfs/dbraw/zinc/89/23/03/811892303.db2.gz	QSZZYGDAXCDLAW-GXFFZTMASA-N	-2	0	340.284	-0.156	20	0		EBADRL
CCc1cnc(=S)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227064959	811902359	/nfs/dbraw/zinc/90/23/59/811902359.db2.gz	XRTOTOZKAXSWFG-HTRCEHHLSA-N	-2	0	330.318	-0.231	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1	ZINC001227130322	811905383	/nfs/dbraw/zinc/90/53/83/811905383.db2.gz	CTRSSETZSVYMBR-LDWIPMOCSA-N	-2	0	342.260	-0.905	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])nn1	ZINC001227131809	811906420	/nfs/dbraw/zinc/90/64/20/811906420.db2.gz	OWCNZDKEMFIDKS-SSDOTTSWSA-N	-2	0	336.193	-0.971	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001227736894	811940437	/nfs/dbraw/zinc/94/04/37/811940437.db2.gz	AYSNLTYJDRDBMU-XVKPBYJWSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(=O)cc[nH]c2c1)[C@H](O)C(=O)[O-]	ZINC001227889001	811948354	/nfs/dbraw/zinc/94/83/54/811948354.db2.gz	KBMQJPBEKFAGAU-ZANVPECISA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cnc(C(F)(F)F)nc1)[C@@H](O)C(=O)[O-]	ZINC001227961299	811952608	/nfs/dbraw/zinc/95/26/08/811952608.db2.gz	DJDGSAKHBYRELU-CAHLUQPWSA-N	-2	0	338.194	-0.063	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cccnc21)[C@H](O)C(=O)[O-]	ZINC001228005485	811956401	/nfs/dbraw/zinc/95/64/01/811956401.db2.gz	SKCUCFXPFFUKEI-CDUCUWFYSA-N	-3	0	337.244	-0.828	20	0		EBADRL
O=C(Oc1nc(Cl)nc2[nH]cnc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001228507153	811984603	/nfs/dbraw/zinc/98/46/03/811984603.db2.gz	HRKBSHLLALBFTD-GSVOUGTGSA-N	-2	0	338.600	-0.618	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(-c2cccnc2)n1)[C@H](O)C(=O)[O-]	ZINC001228697061	811994181	/nfs/dbraw/zinc/99/41/81/811994181.db2.gz	GHRYKFKFTQPGGA-APPZFPTMSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cn2nc(Cl)ccc2n1)[C@@H](O)C(=O)[O-]	ZINC001228840387	811999229	/nfs/dbraw/zinc/99/92/29/811999229.db2.gz	LABZWMPHVYBPIA-XUOSJQGZSA-N	-2	0	343.679	-0.176	20	0		EBADRL
CCCc1cnc(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228872709	812000824	/nfs/dbraw/zinc/00/08/24/812000824.db2.gz	BTXYAWWPFXQDIN-IONNQARKSA-N	-2	0	328.277	-0.424	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2cccnc21)[C@H](O)C(=O)[O-]	ZINC001229501670	812036853	/nfs/dbraw/zinc/03/68/53/812036853.db2.gz	KBBKZYPJVUEKMJ-QTTZVWFDSA-N	-2	0	336.256	-0.223	20	0		EBADRL
O=C(Oc1ccc2c(c1)CNC(=O)C2)[C@H](O)COP(=O)([O-])[O-]	ZINC001229637047	812046414	/nfs/dbraw/zinc/04/64/14/812046414.db2.gz	IFNODGWYMHETLK-SNVBAGLBSA-N	-2	0	331.217	-0.766	20	0		EBADRL
COCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001229740520	812052593	/nfs/dbraw/zinc/05/25/93/812052593.db2.gz	IBTRHVQWAWXBRN-MFKMUULPSA-N	-2	0	340.284	-0.043	20	0		EBADRL
CCOC(=O)c1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001229855909	812059295	/nfs/dbraw/zinc/05/92/95/812059295.db2.gz	GEEAVOAWKBIXTP-IONNQARKSA-N	-2	0	342.260	-0.905	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc2c(cc1O)C=NCC2)[C@H](O)C(=O)[O-]	ZINC001230921055	812256115	/nfs/dbraw/zinc/25/61/15/812256115.db2.gz	CWVSQEBBVATWDK-RNCFNFMXSA-N	-2	0	337.284	-0.191	20	0		EBADRL
O=C(Oc1nc(Cl)nc2n[nH]cc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001231048664	812268371	/nfs/dbraw/zinc/26/83/71/812268371.db2.gz	QXFVQRBIXLWDIF-SCSAIBSYSA-N	-2	0	338.600	-0.618	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001233496256	812312168	/nfs/dbraw/zinc/31/21/68/812312168.db2.gz	ZUSCTIZJORVBOF-KCJUWKMLSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C(Oc1ccnc(-c2ccccn2)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001233991427	812373920	/nfs/dbraw/zinc/37/39/20/812373920.db2.gz	IJTSIPIMQXPPRA-SECBINFHSA-N	-2	0	341.216	-0.086	20	0		EBADRL
COC(=O)c1ccc(C)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001234419752	812425308	/nfs/dbraw/zinc/42/53/08/812425308.db2.gz	FVQCKTCJWLZXQW-OIBJUYFYSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc(C(F)(F)F)[nH]n1)[C@H](O)C(=O)[O-]	ZINC001234858991	812447912	/nfs/dbraw/zinc/44/79/12/812447912.db2.gz	NVZILPBRHMAWBV-NOWQDGDBSA-N	-2	0	326.183	-0.130	20	0		EBADRL
O=C([O-])CCC(=O)C[N-]S(=O)(=O)c1nc2nc(Cl)ccn2n1	ZINC001260181049	812830461	/nfs/dbraw/zinc/83/04/61/812830461.db2.gz	IYOFTOXMTFMVEE-UHFFFAOYSA-N	-2	0	347.740	-0.510	20	0		EBADRL
O=C(CN1C(=O)C(=O)c2ccccc21)NCCOP(=O)([O-])[O-]	ZINC001180051343	833037523	/nfs/dbraw/zinc/03/75/23/833037523.db2.gz	CLMAWQUEUWGLFM-UHFFFAOYSA-N	-2	0	328.217	-0.559	20	0		EBADRL
CSc1ncc([O-])c(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)n1	ZINC001185187918	833349142	/nfs/dbraw/zinc/34/91/42/833349142.db2.gz	OHYVJGCRNPTBCR-NJGYIYPDSA-N	-2	0	348.362	-0.964	20	0		EBADRL
Cn1ncc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185566484	833361529	/nfs/dbraw/zinc/36/15/29/833361529.db2.gz	MYQSCPHAVJSTCP-UHFFFAOYSA-N	-2	0	348.348	-0.500	20	0		EBADRL
O=C(N[C@H]1SC(=O)[N-]C1=O)c1cc(S(=O)(=O)[O-])ccc1O	ZINC001148926117	830557111	/nfs/dbraw/zinc/55/71/11/830557111.db2.gz	DLAJNDRZRLDAIV-VIFPVBQESA-N	-2	0	332.315	-0.322	20	0		EBADRL
C[C@H]1[C@H](Nc2cccc(S(=O)(=O)[O-])n2)C(=O)N1S(=O)(=O)[O-]	ZINC001167859548	832379600	/nfs/dbraw/zinc/37/96/00/832379600.db2.gz	YQYPZJFSNXNKBG-XNCJUZBTSA-N	-2	0	337.335	-0.858	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@H](CO)[C@@H](O)C1	ZINC001189870181	834203413	/nfs/dbraw/zinc/20/34/13/834203413.db2.gz	ARXGZTGCUAVYBE-KOLCDFICSA-N	-2	0	331.261	-0.027	20	0		EBADRL
C[C@H]1C(=O)NCCN1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189924561	834209241	/nfs/dbraw/zinc/20/92/41/834209241.db2.gz	ZZMTUPSKDGFFNH-ZETCQYMHSA-N	-2	0	342.329	-0.408	20	0		EBADRL
CN(C[C@H](O)CO)C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189923347	834209918	/nfs/dbraw/zinc/20/99/18/834209918.db2.gz	IOVMNGHSPAYRAR-VIFPVBQESA-N	-2	0	333.318	-0.943	20	0		EBADRL
C=CC(=O)NCCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189934253	834210207	/nfs/dbraw/zinc/21/02/07/834210207.db2.gz	RNQSEBCTQNXOQB-UHFFFAOYSA-N	-2	0	342.329	-0.337	20	0		EBADRL
CNC(=O)[C@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1	ZINC001189933439	834210730	/nfs/dbraw/zinc/21/07/30/834210730.db2.gz	KNMPDWSUWXAUCH-LURJTMIESA-N	-2	0	330.318	-0.504	20	0		EBADRL
O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC001192738261	834724220	/nfs/dbraw/zinc/72/42/20/834724220.db2.gz	QUELEVKAGXJMFB-SNVBAGLBSA-N	-2	0	346.342	-0.263	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2ccc([O-])c(F)c2F)C(=O)N1S(=O)(=O)[O-]	ZINC001192842838	834745042	/nfs/dbraw/zinc/74/50/42/834745042.db2.gz	NCDLXYFVJZWXHF-IGJIYHIXSA-N	-2	0	336.272	-0.198	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCCOC(=O)c1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001206529948	836654993	/nfs/dbraw/zinc/65/49/93/836654993.db2.gz	WIKJSPDCVCYJKM-CMPLNLGQSA-N	-2	0	340.284	-0.077	20	0		EBADRL
O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1	ZINC001595027647	951354335	/nfs/dbraw/zinc/35/43/35/951354335.db2.gz	AKMOWFBTTYVNSA-SECBINFHSA-N	-2	0	331.350	-0.096	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1	ZINC001595107305	951885625	/nfs/dbraw/zinc/88/56/25/951885625.db2.gz	RPZXJUHIXFKXKO-UHFFFAOYSA-N	-2	0	339.329	-0.222	20	0		EBADRL
O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CCc3nnn[n-]3)CC2)C1	ZINC001594894926	954558497	/nfs/dbraw/zinc/55/84/97/954558497.db2.gz	CAVSNWKHBTXMRK-VIFPVBQESA-N	-2	0	336.352	-0.944	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)Cc1ccccc1C(=O)[O-]	ZINC001594170622	958993554	/nfs/dbraw/zinc/99/35/54/958993554.db2.gz	RDURQPJYHRAFCJ-UHFFFAOYSA-N	-2	0	328.346	-0.491	20	0		EBADRL
COC(=O)C1CC2(C1)CN(C(=O)CCc1nnn[n-]1)C[C@@H]2C(=O)[O-]	ZINC001604280092	972854012	/nfs/dbraw/zinc/85/40/12/972854012.db2.gz	KOSNYCLJKXAIJN-ZYTOWTHASA-N	-2	0	337.336	-0.755	20	0		EBADRL
O=C([O-])COc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)cc1	ZINC001606285691	973681367	/nfs/dbraw/zinc/68/13/67/973681367.db2.gz	GMUBUYFWKOJCGL-UHFFFAOYSA-N	-2	0	347.331	-0.213	20	0		EBADRL
CC(C)n1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)cn1	ZINC001592131527	976967118	/nfs/dbraw/zinc/96/71/18/976967118.db2.gz	JYNJBSRHZCHPRA-ZJUUUORDSA-N	-2	0	331.350	-0.099	20	0		EBADRL
C[C@H](CC(=O)[O-])NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1	ZINC001592418162	978021232	/nfs/dbraw/zinc/02/12/32/978021232.db2.gz	HRUFDXAJSHJYIS-SSDOTTSWSA-N	-2	0	326.309	-0.379	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)C(=O)[O-]	ZINC001592799948	979455632	/nfs/dbraw/zinc/45/56/32/979455632.db2.gz	HNQDBUBTHZRRFJ-VGMNWLOBSA-N	-2	0	325.383	-0.123	20	0		EBADRL
C[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H](O)CC(C)(C)C)C(=O)[O-]	ZINC001592799945	979455784	/nfs/dbraw/zinc/45/57/84/979455784.db2.gz	HNQDBUBTHZRRFJ-HRDYMLBCSA-N	-2	0	325.383	-0.123	20	0		EBADRL
CC[C@@](COC)([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC	ZINC001595199379	979938782	/nfs/dbraw/zinc/93/87/82/979938782.db2.gz	CQKNYUXKFXQIAC-NSHDSACASA-N	-2	0	336.322	-0.381	20	0		EBADRL
CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CC1=O	ZINC001595897008	982944223	/nfs/dbraw/zinc/94/42/23/982944223.db2.gz	UODCSFWUHQMYCS-LPEHRKFASA-N	-2	0	334.394	-0.200	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC001599885916	984636533	/nfs/dbraw/zinc/63/65/33/984636533.db2.gz	UUJIWQPLCPSKRK-SSDOTTSWSA-N	-2	0	340.313	-0.798	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O	ZINC001589454680	986882528	/nfs/dbraw/zinc/88/25/28/986882528.db2.gz	XFFQUPIFPHXIKI-VHSXEESVSA-N	-2	0	330.362	-0.206	20	0		EBADRL
C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nnn[n-]1	ZINC001594656242	986903439	/nfs/dbraw/zinc/90/34/39/986903439.db2.gz	KNISTOPFSGEIIY-SFYZADRCSA-N	-2	0	342.381	-0.987	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001589491072	987057404	/nfs/dbraw/zinc/05/74/04/987057404.db2.gz	HITSYMBMJZYRKU-SSDOTTSWSA-N	-3	0	331.302	-0.317	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC001589493588	987067881	/nfs/dbraw/zinc/06/78/81/987067881.db2.gz	DHSZLHLGHIWURY-HSUXUTPPSA-N	-2	0	346.283	-0.637	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	ZINC001589493459	987068028	/nfs/dbraw/zinc/06/80/28/987068028.db2.gz	CJMGVISRGAZGMQ-AMXGMDGSSA-N	-2	0	336.391	-0.641	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1	ZINC001589495940	987075914	/nfs/dbraw/zinc/07/59/14/987075914.db2.gz	SXSQADVBCNGPGS-ZETCQYMHSA-N	-2	0	336.366	-0.037	20	0		EBADRL
CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1CCO[C@H]1C(=O)[O-]	ZINC001590429395	989980983	/nfs/dbraw/zinc/98/09/83/989980983.db2.gz	GGEUBPHFXZZXSV-DRJZATNFSA-N	-2	0	328.412	-0.041	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](COC(C)(C)C)C(=O)[O-]	ZINC001598470072	992013081	/nfs/dbraw/zinc/01/30/81/992013081.db2.gz	CRFCODLOZWBERQ-QMMMGPOBSA-N	-2	0	326.371	-0.504	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)NC2(C(=O)[O-])CC(CO)C2)cn1	ZINC001599760382	992113202	/nfs/dbraw/zinc/11/32/02/992113202.db2.gz	NIQKDAMWVADZPR-UHFFFAOYSA-N	-2	0	343.361	-0.591	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])C1=O	ZINC001598552933	993024457	/nfs/dbraw/zinc/02/44/57/993024457.db2.gz	PEUIARRWWFDGEC-UHFFFAOYSA-N	-2	0	348.724	-0.480	20	0		EBADRL
CNC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC001598653551	994484397	/nfs/dbraw/zinc/48/43/97/994484397.db2.gz	POPCMVAVRNWAHA-UHFFFAOYSA-N	-2	0	335.363	-0.430	20	0		EBADRL
COC(=O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)c1ccnn1C	ZINC001598708761	995321606	/nfs/dbraw/zinc/32/16/06/995321606.db2.gz	HWUNGQNRBKJIES-JTQLQIEISA-N	-2	0	345.377	-0.192	20	0		EBADRL
C[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N2CCSC[C@H](C(=O)[O-])C2)C1	ZINC001593783373	996494471	/nfs/dbraw/zinc/49/44/71/996494471.db2.gz	JLJSWHXLANRWQC-OTYXRUKQSA-N	-2	0	344.389	-0.414	20	0		EBADRL
COC[C@@]1(C(=O)[O-])CCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1	ZINC001599194077	997181940	/nfs/dbraw/zinc/18/19/40/997181940.db2.gz	HOMGMKLTPJMCOO-CYBMUJFWSA-N	-2	0	346.361	-0.165	20	0		EBADRL
COC(=O)[C@H](C)NC(=O)c1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1[O-]	ZINC001598903468	997217656	/nfs/dbraw/zinc/21/76/56/997217656.db2.gz	SAYHWMMXEHZNJM-YUMQZZPRSA-N	-2	0	338.316	-0.114	20	0		EBADRL
COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1	ZINC001598921836	997580582	/nfs/dbraw/zinc/58/05/82/997580582.db2.gz	AWFSYBVIHPMMPG-SECBINFHSA-N	-2	0	349.292	-0.128	20	0		EBADRL
CO[C@@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@H](C(=O)[O-])C1	ZINC001599118367	997694492	/nfs/dbraw/zinc/69/44/92/997694492.db2.gz	YKNQNBIGDBHGLB-SCZZXKLOSA-N	-2	0	335.320	-0.838	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])oc1Cl	ZINC001598954131	998209587	/nfs/dbraw/zinc/20/95/87/998209587.db2.gz	YRVXGXIFTNCBHP-RXMQYKEDSA-N	-2	0	341.725	-0.167	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)OC	ZINC001599166975	998556567	/nfs/dbraw/zinc/55/65/67/998556567.db2.gz	SQHNFQQLUZZDQU-GARJFASQSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001599167898	998569636	/nfs/dbraw/zinc/56/96/36/998569636.db2.gz	WCCXYNCIJKEYSF-NEPJUHHUSA-N	-2	0	335.316	-0.078	20	0		EBADRL
C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001594209642	998811973	/nfs/dbraw/zinc/81/19/73/998811973.db2.gz	FXKQRCAYEBICEP-NAKRPEOUSA-N	-2	0	342.348	-0.744	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)CC[C@@H]1C(=O)[O-]	ZINC001594454374	999656586	/nfs/dbraw/zinc/65/65/86/999656586.db2.gz	NGDQXLBTGMMMGZ-NAKRPEOUSA-N	-2	0	342.348	-0.744	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[C@H]1C(=O)[O-]	ZINC001594455418	999658119	/nfs/dbraw/zinc/65/81/19/999658119.db2.gz	SWMPPHWWNRMEDM-OUAUKWLOSA-N	-2	0	342.348	-0.742	20	0		EBADRL
COC(=O)Cc1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000290459348	291169429	/nfs/dbraw/zinc/16/94/29/291169429.db2.gz	DIPLYKOIYREHQE-SNVBAGLBSA-N	-2	0	345.329	-0.392	20	0		EBADRL
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCc2nnn[n-]2)o1	ZINC000600498628	376423437	/nfs/dbraw/zinc/42/34/37/376423437.db2.gz	WPGADIPLIOETLT-UHFFFAOYSA-N	-2	0	328.354	-0.201	20	0		EBADRL
C[C@H]1CCCc2nc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000571505706	379195499	/nfs/dbraw/zinc/19/54/99/379195499.db2.gz	WLGHGBKOTIMFRV-JGVFFNPUSA-N	-2	0	331.350	-0.013	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274868355	379718762	/nfs/dbraw/zinc/71/87/62/379718762.db2.gz	ABIBENPTDFHGNU-SSDOTTSWSA-N	-2	0	335.290	-0.419	20	0		EBADRL
COC(=O)c1ccc(F)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000274961796	379727904	/nfs/dbraw/zinc/72/79/04/379727904.db2.gz	JFOWQXNKCCSEAD-UHFFFAOYSA-N	-2	0	349.292	-0.228	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000274991792	379729202	/nfs/dbraw/zinc/72/92/02/379729202.db2.gz	FCODDFFFBNYQTC-LBPRGKRZSA-N	-2	0	337.350	-0.479	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(C)o1	ZINC000275035240	379732248	/nfs/dbraw/zinc/73/22/48/379732248.db2.gz	UPVZDOCQMPBLTF-UHFFFAOYSA-N	-2	0	335.290	-0.465	20	0		EBADRL
CCn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000275068480	379733589	/nfs/dbraw/zinc/73/35/89/379733589.db2.gz	GQBXXUKHZQCEQC-NXEZZACHSA-N	-2	0	331.350	-0.301	20	0		EBADRL
COC(=O)CC1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC1	ZINC000275097627	379735435	/nfs/dbraw/zinc/73/54/35/379735435.db2.gz	QATIZDFNCQCIKY-QMMMGPOBSA-N	-2	0	337.350	-0.433	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275089447	379736498	/nfs/dbraw/zinc/73/64/98/379736498.db2.gz	JYDQJHHBNMEHFE-ZDUSSCGKSA-N	-2	0	345.377	-0.023	20	0		EBADRL
Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000275171992	379740595	/nfs/dbraw/zinc/74/05/95/379740595.db2.gz	VMUQLXCCOMWXPC-GFCCVEGCSA-N	-2	0	331.350	-0.033	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000614327628	379921965	/nfs/dbraw/zinc/92/19/65/379921965.db2.gz	LDAOYXJJQUMLFT-SSDOTTSWSA-N	-2	0	334.306	-0.602	20	0		EBADRL
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000547549635	380143513	/nfs/dbraw/zinc/14/35/13/380143513.db2.gz	BEUFJSLBRNNMFQ-XHNCKOQMSA-N	-2	0	337.350	-0.435	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000548262448	380195967	/nfs/dbraw/zinc/19/59/67/380195967.db2.gz	RZGMQSOWCCCFNG-LBPRGKRZSA-N	-2	0	333.366	-0.119	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CC(=O)N2	ZINC000316201525	380595268	/nfs/dbraw/zinc/59/52/68/380595268.db2.gz	CAMDCCIGOMSTJU-UHFFFAOYSA-N	-2	0	328.302	-0.659	20	0		EBADRL
CCOc1ccncc1S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000582849115	381081636	/nfs/dbraw/zinc/08/16/36/381081636.db2.gz	SBUAVLPPEHOHDJ-MRVPVSSYSA-N	-2	0	332.334	-0.066	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000584386036	381098290	/nfs/dbraw/zinc/09/82/90/381098290.db2.gz	FRYNMMHZHVRADG-ZETCQYMHSA-N	-2	0	334.306	-0.982	20	0		EBADRL
COC(=O)c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)C(=O)[O-]	ZINC000571895119	381625572	/nfs/dbraw/zinc/62/55/72/381625572.db2.gz	PEYJDYSINFPUGF-MRVPVSSYSA-N	-2	0	337.737	-0.150	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc1C	ZINC000274931738	292002875	/nfs/dbraw/zinc/00/28/75/292002875.db2.gz	DENAAAQLPYRZHP-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
O=C([O-])[C@H](CCO)NS(=O)(=O)c1ccc(Cl)c2nonc21	ZINC000296961951	155079868	/nfs/dbraw/zinc/07/98/68/155079868.db2.gz	NYNKOFFPQJUDNH-LURJTMIESA-N	-2	0	335.725	-0.010	20	0		EBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000358160715	157221815	/nfs/dbraw/zinc/22/18/15/157221815.db2.gz	RNKMEZNIKUMSFU-UHFFFAOYSA-N	-2	0	330.347	-0.071	20	0		EBADRL
O=C([O-])[C@]12COC[C@H]1CN(C(=O)NCC1(C(=O)[O-])CCOCC1)C2	ZINC000659410653	420997849	/nfs/dbraw/zinc/99/78/49/420997849.db2.gz	YGJBPFSXYBANNJ-MEBBXXQBSA-N	-2	0	342.348	-0.390	20	0		EBADRL
Cc1cc(=NC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)[n-]nc1C	ZINC000424380470	265057600	/nfs/dbraw/zinc/05/76/00/265057600.db2.gz	KQWXNAQKDMXYCO-SECBINFHSA-N	-2	0	328.350	-0.769	20	0		EBADRL
O=C([O-])CCCCCNC(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1	ZINC000424398939	265061132	/nfs/dbraw/zinc/06/11/32/265061132.db2.gz	PKHMJHACNAVGDT-VIFPVBQESA-N	-2	0	336.366	-0.475	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000424852359	265078109	/nfs/dbraw/zinc/07/81/09/265078109.db2.gz	LDFUBEKRGOLDCW-QFIPXVFZSA-N	-2	0	325.346	-0.162	20	0		EBADRL
C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000650417620	568587146	/nfs/dbraw/zinc/58/71/46/568587146.db2.gz	QBYQQKBVZLSZAL-QPUJVOFHSA-N	-2	0	336.366	-0.956	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)CCc1ccc2c(c1)CCO2	ZINC000650413664	582548375	/nfs/dbraw/zinc/54/83/75/582548375.db2.gz	YCVZYFKLOHNZRD-UHFFFAOYSA-N	-2	0	343.357	-0.035	20	0		EBADRL
C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000731038207	582833695	/nfs/dbraw/zinc/83/36/95/582833695.db2.gz	CVQKMYMOGGQTFL-ZETCQYMHSA-N	-2	0	330.318	-0.748	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)[O-]	ZINC000738207842	583045341	/nfs/dbraw/zinc/04/53/41/583045341.db2.gz	IXFFYAFEKJXIAV-QMMMGPOBSA-N	-2	0	341.305	-0.927	20	0		EBADRL
CC(CC(=O)OCc1n[nH]c(=O)[n-]1)CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000769091969	583320697	/nfs/dbraw/zinc/32/06/97/583320697.db2.gz	GIDOIECYEGGEEE-UHFFFAOYSA-N	-2	0	340.296	-0.463	20	0		EBADRL
O=C([O-])/C=C/CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000788445589	583531221	/nfs/dbraw/zinc/53/12/21/583531221.db2.gz	GVJHRZYHTXTNHF-OWOJBTEDSA-N	-2	0	326.290	-0.645	20	0		EBADRL
C[C@H](C(=O)OCc1n[nH]c(=O)[n-]1)[C@H](C)C(=O)OCc1n[nH]c(=O)[n-]1	ZINC000791464679	583551025	/nfs/dbraw/zinc/55/10/25/583551025.db2.gz	UNGRSAVFEZFWNN-WDSKDSINSA-N	-2	0	340.296	-0.607	20	0		EBADRL
CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000824169921	583841886	/nfs/dbraw/zinc/84/18/86/583841886.db2.gz	ALALFPYDPISJOO-JTQLQIEISA-N	-2	0	349.409	-0.263	20	0		EBADRL
C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1Cc1n[nH]c(=O)[n-]1	ZINC000825001331	583853721	/nfs/dbraw/zinc/85/37/21/583853721.db2.gz	ZGPVWJQLYQROCW-MRVPVSSYSA-N	-2	0	343.355	-0.809	20	0		EBADRL
CCN(C)S(=O)(=O)[N-]C(=O)C[C@@H]1CSCCN1C(=O)[O-]	ZINC000826992423	583913806	/nfs/dbraw/zinc/91/38/06/583913806.db2.gz	MLLYCCCWEPPWQN-MRVPVSSYSA-N	-2	0	325.412	-0.215	20	0		EBADRL
CCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000827236894	583917202	/nfs/dbraw/zinc/91/72/02/583917202.db2.gz	LQVMBNSYWCWQIS-VIFPVBQESA-N	-2	0	335.382	-0.509	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CSCN2C(=O)[O-])cn1	ZINC000827705763	583926410	/nfs/dbraw/zinc/92/64/10/583926410.db2.gz	DKKNIQBKHUHHTF-MRVPVSSYSA-N	-2	0	334.379	-0.239	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1	ZINC000828670061	583944698	/nfs/dbraw/zinc/94/46/98/583944698.db2.gz	BFZDRTZQUPIBMA-DTWKUNHWSA-N	-2	0	336.366	-0.178	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CSCN1C(=O)[O-]	ZINC000829002763	583949894	/nfs/dbraw/zinc/94/98/94/583949894.db2.gz	XVDRWARBPHBXBT-QMMMGPOBSA-N	-2	0	342.395	-0.852	20	0		EBADRL
COc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CN(C(=O)[O-])CCO2)c1	ZINC000829575816	583954670	/nfs/dbraw/zinc/95/46/70/583954670.db2.gz	LJWTVSKZNZTUFN-LLVKDONJSA-N	-2	0	344.345	-0.121	20	0		EBADRL
CCOC[C@H](C(=O)[O-])N(C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000829972805	583961157	/nfs/dbraw/zinc/96/11/57/583961157.db2.gz	KRNPKCTXVBWXGO-SECBINFHSA-N	-2	0	336.304	-0.002	20	0		EBADRL
Cc1ccnc(S(=O)(=O)[N-]C(=O)C[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000830611536	583968582	/nfs/dbraw/zinc/96/85/82/583968582.db2.gz	LOVQEISPOBGXLH-SNVBAGLBSA-N	-2	0	343.361	-0.036	20	0		EBADRL
Cc1noc(CCC(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)n1	ZINC000830919661	583972266	/nfs/dbraw/zinc/97/22/66/583972266.db2.gz	BNFJKSTYKKETIU-MRVPVSSYSA-N	-2	0	332.338	-0.491	20	0		EBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000831000547	583973842	/nfs/dbraw/zinc/97/38/42/583973842.db2.gz	GUGOOHQUFABJIU-UHFFFAOYSA-N	-2	0	345.362	-0.415	20	0		EBADRL
COC(=O)C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-]	ZINC000831133331	583977008	/nfs/dbraw/zinc/97/70/08/583977008.db2.gz	FOMUVGKXELVWGE-VIFPVBQESA-N	-2	0	335.272	-0.224	20	0		EBADRL
NC(=O)NCCCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831208104	583979450	/nfs/dbraw/zinc/97/94/50/583979450.db2.gz	KPOLBODANNQPEX-MRVPVSSYSA-N	-2	0	336.370	-0.977	20	0		EBADRL
COC(=O)[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)[O-]	ZINC000831215216	583979472	/nfs/dbraw/zinc/97/94/72/583979472.db2.gz	MQKZOCUOZCDXJY-RFZPGFLSSA-N	-2	0	346.233	-0.476	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)oc1C	ZINC000831354043	583981832	/nfs/dbraw/zinc/98/18/32/583981832.db2.gz	SQCCQIVBGAVYCH-UHFFFAOYSA-N	-2	0	344.305	-0.148	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)c1	ZINC000831457562	583982978	/nfs/dbraw/zinc/98/29/78/583982978.db2.gz	KXVPIEYGFJJIMJ-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
Cn1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1C(=O)[O-]	ZINC000833054127	584003695	/nfs/dbraw/zinc/00/36/95/584003695.db2.gz	LWNIRKTWRBBNRX-UHFFFAOYSA-N	-2	0	326.334	-0.039	20	0		EBADRL
O=C([O-])CNC(=O)Cc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1	ZINC000833252704	584007764	/nfs/dbraw/zinc/00/77/64/584007764.db2.gz	XJPLCAIZNIXQSX-UHFFFAOYSA-N	-2	0	348.319	-0.425	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CCCCNC(=O)[O-])cc1C(N)=O	ZINC000833951792	584020888	/nfs/dbraw/zinc/02/08/88/584020888.db2.gz	YURBHRASIUARSI-UHFFFAOYSA-N	-2	0	346.365	-0.633	20	0		EBADRL
O=C([O-])N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1	ZINC000834134364	584026748	/nfs/dbraw/zinc/02/67/48/584026748.db2.gz	ISCAZDRBSRPVOH-NKWVEPMBSA-N	-2	0	330.309	-0.240	20	0		EBADRL
O=C([O-])N1CCC(CCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1	ZINC000834291083	584030909	/nfs/dbraw/zinc/03/09/09/584030909.db2.gz	WOFMJJDTRCCRHD-LLVKDONJSA-N	-2	0	338.364	-0.081	20	0		EBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)Cn1cncn1	ZINC000852956045	584221824	/nfs/dbraw/zinc/22/18/24/584221824.db2.gz	FOPVYQQCHCQACM-APPZFPTMSA-N	-2	0	349.269	-0.599	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)CCc1ccc2c(c1)CCO2	ZINC000863959822	584381506	/nfs/dbraw/zinc/38/15/06/584381506.db2.gz	ORHIRHUPNJWCSO-UHFFFAOYSA-N	-2	0	343.357	-0.289	20	0		EBADRL
O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC000739545938	599728220	/nfs/dbraw/zinc/72/82/20/599728220.db2.gz	CEHQQUCSAILEDO-NXEZZACHSA-N	-2	0	337.317	-0.812	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C(N)=O	ZINC000739036616	599739533	/nfs/dbraw/zinc/73/95/33/599739533.db2.gz	JQFNQOPWQBGKRD-UHFFFAOYSA-N	-2	0	327.322	-0.794	20	0		EBADRL
Cn1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1=O	ZINC000739023148	600163229	/nfs/dbraw/zinc/16/32/29/600163229.db2.gz	OUKCSZGAINJERL-UHFFFAOYSA-N	-2	0	343.361	-0.844	20	0		EBADRL
Cc1nc2ncnn2c(C)c1CCC(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC000738881467	600178513	/nfs/dbraw/zinc/17/85/13/600178513.db2.gz	JZKPYIIPKWQDQA-UHFFFAOYSA-N	-2	0	341.349	-0.796	20	0		EBADRL
O=C([O-])CNC(=O)Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1	ZINC000739812708	600255861	/nfs/dbraw/zinc/25/58/61/600255861.db2.gz	JOOXMUAPBMQQAH-UHFFFAOYSA-N	-2	0	338.345	-0.046	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN(C(=O)C2CC2)C1	ZINC000739695751	600462856	/nfs/dbraw/zinc/46/28/56/600462856.db2.gz	NDUHJQNKJFWLBC-NSHDSACASA-N	-2	0	346.405	-0.054	20	0		EBADRL
O=C([O-])Cn1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1	ZINC000320967965	600530406	/nfs/dbraw/zinc/53/04/06/600530406.db2.gz	JSTUEXGZPSQPKP-UHFFFAOYSA-N	-2	0	337.317	-0.062	20	0		EBADRL
O=C([O-])N1CCCC[C@H]1CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000740386404	602506705	/nfs/dbraw/zinc/50/67/05/602506705.db2.gz	CKWOMHJKSQCUOO-VIFPVBQESA-N	-2	0	334.336	-0.280	20	0		EBADRL
CC(C)C(=O)N[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000023990440	649933742	/nfs/dbraw/zinc/93/37/42/649933742.db2.gz	NZVUKXYUQXIHAZ-UHFFFAOYSA-N	-2	0	343.361	-0.534	20	0		EBADRL
O=C([O-])c1cc2c(c(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c1)CCCC2	ZINC000917856975	650284899	/nfs/dbraw/zinc/28/48/99/650284899.db2.gz	BQKCABBMGXSIRK-NSHDSACASA-N	-2	0	343.357	-0.013	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2CCN(Cc3n[nH]c(=O)[n-]3)C[C@H]2C)c1[O-]	ZINC000941964251	653008614	/nfs/dbraw/zinc/00/86/14/653008614.db2.gz	PZLKYQSGAHHHRW-APPZFPTMSA-N	-2	0	335.368	-0.112	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)Cc2n[nH]c(=O)[n-]2)c1[O-]	ZINC000960554899	722838751	/nfs/dbraw/zinc/83/87/51/722838751.db2.gz	JQHCCHOOSVMTKG-VIFPVBQESA-N	-2	0	335.368	-0.016	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CCN(C(=O)c3n[nH]c(C)c3[O-])CC2)c1[O-]	ZINC001011007745	727176929	/nfs/dbraw/zinc/17/69/29/727176929.db2.gz	WPYCYEMECAMIRK-UHFFFAOYSA-N	-2	0	334.336	-0.241	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H]2COC3(CN(Cc4n[nH]c(=O)[n-]4)C3)C2)c1[O-]	ZINC001053775039	736007877	/nfs/dbraw/zinc/00/78/77/736007877.db2.gz	PDPAFHXJKJEHRD-MRVPVSSYSA-N	-2	0	349.351	-0.979	20	0		EBADRL
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][N-]C(=O)c1cnccn1	ZINC000055579868	803749063	/nfs/dbraw/zinc/74/90/63/803749063.db2.gz	WRFRJBZDIUBNJT-UHFFFAOYSA-N	-2	0	330.757	-0.205	20	0		EBADRL
O=S(=O)([O-])c1cc(O)c(O[C@H]2C[C@@H](O)C2)c(S(=O)(=O)[O-])c1	ZINC001218421150	810491044	/nfs/dbraw/zinc/49/10/44/810491044.db2.gz	TWTLPSKUZSORNK-OLQVQODUSA-N	-2	0	340.331	-0.212	20	0		EBADRL
COC(=O)c1ncccc1COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001222747450	811658827	/nfs/dbraw/zinc/65/88/27/811658827.db2.gz	VCVOFDZBOMNBDM-KWQFWETISA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001223298731	811696297	/nfs/dbraw/zinc/69/62/97/811696297.db2.gz	QIZMOQKNFPCGAA-KCJUWKMLSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1cccnc1COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001223436361	811705100	/nfs/dbraw/zinc/70/51/00/811705100.db2.gz	ABCQBPCDMDQOGH-KCJUWKMLSA-N	-2	0	341.272	-0.552	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cn1	ZINC001223532621	811712770	/nfs/dbraw/zinc/71/27/70/811712770.db2.gz	YIZFETKBHDPVLE-SECBINFHSA-N	-2	0	335.205	-0.618	20	0		EBADRL
COc1cc(OC)nc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223762104	811728050	/nfs/dbraw/zinc/72/80/50/811728050.db2.gz	FXPUFRYIMCJQBQ-UPONEAKYSA-N	-2	0	344.276	-0.927	20	0		EBADRL
COC(=O)c1ccnc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001223990128	811739140	/nfs/dbraw/zinc/73/91/40/811739140.db2.gz	UVYSREXLCCZXBK-ONGXEEELSA-N	-2	0	341.272	-0.552	20	0		EBADRL
C[C@H](COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])NC(=O)OC(C)(C)C	ZINC001225159327	811795827	/nfs/dbraw/zinc/79/58/27/811795827.db2.gz	PGWBFKDPAPKQLB-WEDXCCLWSA-N	-2	0	349.336	-0.021	20	0		EBADRL
CC(=O)N1CCC[C@H](COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])C1	ZINC001225172296	811797736	/nfs/dbraw/zinc/79/77/36/811797736.db2.gz	IRICRHHFNWVKTN-HOSYDEDBSA-N	-2	0	331.321	-0.676	20	0		EBADRL
CN(C)Cc1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225281865	811801435	/nfs/dbraw/zinc/80/14/35/811801435.db2.gz	LCFCPBKLQOZVSR-QPUJVOFHSA-N	-2	0	326.305	-0.415	20	0		EBADRL
NC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001225318450	811803073	/nfs/dbraw/zinc/80/30/73/811803073.db2.gz	APACXLWLWQOEGK-SKDRFNHKSA-N	-2	0	325.273	-0.844	20	0		EBADRL
O=C(Oc1ccc2[nH]c(=O)ccc2c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225402229	811807284	/nfs/dbraw/zinc/80/72/84/811807284.db2.gz	JRNIEOAFAFAERP-SNVBAGLBSA-N	-2	0	329.201	-0.096	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2[nH]c(=O)ccc2c1)[C@H](O)C(=O)[O-]	ZINC001225402175	811807854	/nfs/dbraw/zinc/80/78/54/811807854.db2.gz	JFLWRQDOGBAKCD-RNCFNFMXSA-N	-2	0	335.268	-0.030	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)C(=O)[O-]	ZINC001225518220	811816465	/nfs/dbraw/zinc/81/64/65/811816465.db2.gz	VDCCNXZDTASXLJ-WPRPVWTQSA-N	-3	0	348.285	-0.625	20	0		EBADRL
CC(=O)c1c(O)cc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225675058	811822791	/nfs/dbraw/zinc/82/27/91/811822791.db2.gz	QTBXTGGKWGMNNT-MADCSZMMSA-N	-2	0	342.256	-0.258	20	0		EBADRL
O=C(Oc1nc(C(F)(F)F)cc(=O)[n-]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225978241	811840538	/nfs/dbraw/zinc/84/05/38/811840538.db2.gz	PXKCZAIAUAYQNG-GSVOUGTGSA-N	-3	0	348.126	-0.423	20	0		EBADRL
Cc1cc(=O)[n-]c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n1	ZINC001226157399	811849670	/nfs/dbraw/zinc/84/96/70/811849670.db2.gz	YCBNPUOIEQZDOJ-JTQLQIEISA-N	-2	0	333.366	-0.542	20	0		EBADRL
COc1cnc(=S)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226247200	811855634	/nfs/dbraw/zinc/85/56/34/811855634.db2.gz	UUUMIULETCBKCC-MHTLYPKNSA-N	-2	0	332.290	-0.784	20	0		EBADRL
NC(=S)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001226656870	811877269	/nfs/dbraw/zinc/87/72/69/811877269.db2.gz	ZCKYKIDIGYVGOP-WCBMZHEXSA-N	-2	0	327.314	-0.237	20	0		EBADRL
NC(=O)Nc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001227200873	811910486	/nfs/dbraw/zinc/91/04/86/811910486.db2.gz	XLGXVEWKNIIVKS-PSASIEDQSA-N	-2	0	326.261	-0.381	20	0		EBADRL
C[C@@H]1OCc2c1nc(=O)[n-]c2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227715758	811940188	/nfs/dbraw/zinc/94/01/88/811940188.db2.gz	GBENNCNNHNFTIT-OBXARNEKSA-N	-3	0	342.260	-0.785	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001227830529	811943948	/nfs/dbraw/zinc/94/39/48/811943948.db2.gz	SCVCZAWFYIJOJT-WKEGUHRASA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2sccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001227845505	811945491	/nfs/dbraw/zinc/94/54/91/811945491.db2.gz	KFASVZNYMCTCCK-RXMQYKEDSA-N	-3	0	336.218	-0.228	20	0		EBADRL
Cc1noc2ncnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12	ZINC001228308106	811975291	/nfs/dbraw/zinc/97/52/91/811975291.db2.gz	VKBABZANAWDKFY-XNCJUZBTSA-N	-2	0	325.233	-0.632	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2[nH]ccc21)[C@@H](O)C(=O)[O-]	ZINC001228529247	811986239	/nfs/dbraw/zinc/98/62/39/811986239.db2.gz	SGAAEMDKDBTITN-CAHLUQPWSA-N	-2	0	341.301	-0.312	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(-c2ccncc2)n1)[C@@H](O)C(=O)[O-]	ZINC001228700132	811994280	/nfs/dbraw/zinc/99/42/80/811994280.db2.gz	ODBRTOVGYKATJE-VXNVDRBHSA-N	-2	0	336.260	-0.692	20	0		EBADRL
COC(=O)c1ccc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228788245	811996624	/nfs/dbraw/zinc/99/66/24/811996624.db2.gz	OYGMTDBKMSIKEI-WPRPVWTQSA-N	-2	0	341.272	-0.382	20	0		EBADRL
COC(=O)Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229755539	812054046	/nfs/dbraw/zinc/05/40/46/812054046.db2.gz	XDRWWVGVPSAVDA-MFKMUULPSA-N	-2	0	340.284	-0.156	20	0		EBADRL
COC(=O)Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001229755540	812054708	/nfs/dbraw/zinc/05/47/08/812054708.db2.gz	XDRWWVGVPSAVDA-ZWNOBZJWSA-N	-2	0	340.284	-0.156	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccccc1-c1nn[nH]n1)[C@H](O)C(=O)[O-]	ZINC001229950628	812064951	/nfs/dbraw/zinc/06/49/51/812064951.db2.gz	NDPPTJSKMDWAEW-XVKPBYJWSA-N	-2	0	336.260	-0.692	20	0		EBADRL
CCOC(=O)c1cnn(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230370376	812109347	/nfs/dbraw/zinc/10/93/47/812109347.db2.gz	SZJTWDICFJBHLW-RCOVLWMOSA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc(-c2nn[nH]n2)c1)[C@@H](O)C(=O)[O-]	ZINC001231121919	812273965	/nfs/dbraw/zinc/27/39/65/812273965.db2.gz	PRTIGZFUWAHNNA-WCBMZHEXSA-N	-2	0	336.260	-0.692	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001233496251	812312785	/nfs/dbraw/zinc/31/27/85/812312785.db2.gz	ZUSCTIZJORVBOF-GZMMTYOYSA-N	-2	0	341.272	-0.300	20	0		EBADRL
CCOc1cc(Cl)nnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233685272	812328229	/nfs/dbraw/zinc/32/82/29/812328229.db2.gz	HXMODKKSVPINHH-MLUIRONXSA-N	-2	0	348.695	-0.030	20	0		EBADRL
CCOc1cc(Cl)nnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233685270	812329657	/nfs/dbraw/zinc/32/96/57/812329657.db2.gz	HXMODKKSVPINHH-CDUCUWFYSA-N	-2	0	348.695	-0.030	20	0		EBADRL
Cn1cnc2ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc2c1=O	ZINC001233773019	812341210	/nfs/dbraw/zinc/34/12/10/812341210.db2.gz	CIYZSIPKHOURPG-SNVBAGLBSA-N	-2	0	344.216	-0.691	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ncnc2c1CSC2)[C@H](O)C(=O)[O-]	ZINC001233896564	812365898	/nfs/dbraw/zinc/36/58/98/812365898.db2.gz	SAPHROVICGBSON-ANLVUFKYSA-N	-2	0	328.302	-0.335	20	0		EBADRL
COC(=O)c1cc(C)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001234002243	812375337	/nfs/dbraw/zinc/37/53/37/812375337.db2.gz	ADMDJLPAQSJSDE-KWQFWETISA-N	-2	0	341.272	-0.382	20	0		EBADRL
COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@H](O)CC(=O)[O-]	ZINC001234353368	812414877	/nfs/dbraw/zinc/41/48/77/812414877.db2.gz	ZJVYCZDZWPBXLL-SCSAIBSYSA-N	-2	0	331.233	-0.966	20	0		EBADRL
CCS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]	ZINC001253355004	812678205	/nfs/dbraw/zinc/67/82/05/812678205.db2.gz	FDQDKJTZCAJNMF-UHFFFAOYSA-N	-2	0	345.376	-0.058	20	0		EBADRL
O=c1cc(C[N-]S(=O)(=O)c2nc3nc(Cl)ccn3n2)o[n-]1	ZINC001260179618	812829398	/nfs/dbraw/zinc/82/93/98/812829398.db2.gz	POGNBZVGISCCMB-UHFFFAOYSA-N	-2	0	330.713	-0.050	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1O	ZINC001260401067	812832270	/nfs/dbraw/zinc/83/22/70/812832270.db2.gz	UPRBRYOKMZBTEC-QMMMGPOBSA-N	-2	0	332.315	-0.322	20	0		EBADRL
CCOCCO[N-]C(=O)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1	ZINC001261630753	812953944	/nfs/dbraw/zinc/95/39/44/812953944.db2.gz	WHSQADIOGPLZHQ-UHFFFAOYSA-N	-2	0	328.325	-0.274	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)NCCOP(=O)([O-])[O-])ccc1F	ZINC001186202232	833391969	/nfs/dbraw/zinc/39/19/69/833391969.db2.gz	YERGHLAAFYEIQQ-UHFFFAOYSA-N	-3	0	343.225	-0.089	20	0		EBADRL
Nc1cn(C(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c(N)nc1=O	ZINC001148932863	830558588	/nfs/dbraw/zinc/55/85/88/830558588.db2.gz	BWHQRXKCRIDFJG-UHFFFAOYSA-N	-2	0	326.290	-0.709	20	0		EBADRL
O=C(NC1CCOCC1)c1ccc(NCCOP(=O)([O-])[O-])nn1	ZINC001157796131	831593831	/nfs/dbraw/zinc/59/38/31/831593831.db2.gz	XJCJVRPQGPQHQN-UHFFFAOYSA-N	-2	0	346.280	-0.093	20	0		EBADRL
NC(=O)C1CCN(c2cc(NCCOP(=O)([O-])[O-])ncn2)CC1	ZINC001168587135	832428134	/nfs/dbraw/zinc/42/81/34/832428134.db2.gz	OVADVRLYUPNQDX-UHFFFAOYSA-N	-2	0	345.296	-0.301	20	0		EBADRL
O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@H](O)[C@H](CO)C1	ZINC001189872068	834203598	/nfs/dbraw/zinc/20/35/98/834203598.db2.gz	SPWODGSMKMFWQE-ONGXEEELSA-N	-2	0	331.261	-0.027	20	0		EBADRL
O=C(N[C@@H]1CCC(=O)NC1=O)c1ccccc1OP(=O)([O-])[O-]	ZINC001189899434	834207020	/nfs/dbraw/zinc/20/70/20/834207020.db2.gz	BLVBSYZKYAIEHM-MRVPVSSYSA-N	-2	0	328.217	-0.307	20	0		EBADRL
CC(C)(CNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1)C(N)=O	ZINC001189933884	834210351	/nfs/dbraw/zinc/21/03/51/834210351.db2.gz	OLWZRFAQILLCBM-UHFFFAOYSA-N	-2	0	344.345	-0.127	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCc2nc[nH]n2)cc(S(=O)(=O)[O-])c1	ZINC001189934280	834211122	/nfs/dbraw/zinc/21/11/22/834211122.db2.gz	SCGVUHGAZAVGOD-UHFFFAOYSA-N	-2	0	326.290	-0.320	20	0		EBADRL
COc1cccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001204782782	836528603	/nfs/dbraw/zinc/52/86/03/836528603.db2.gz	VMBSXPPNHNSKCJ-MFKMUULPSA-N	-2	0	340.284	-0.043	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OC[C@H]1COc2ccccc2O1)[C@H](O)C(=O)[O-]	ZINC001206345677	836641683	/nfs/dbraw/zinc/64/16/83/836641683.db2.gz	GSMLRYIBOSCGPP-ZDMBXUJBSA-N	-2	0	340.284	-0.094	20	0		EBADRL
CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001591926707	951245172	/nfs/dbraw/zinc/24/51/72/951245172.db2.gz	SHMILWMNLPXCOK-ZETCQYMHSA-N	-2	0	336.322	-0.381	20	0		EBADRL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1n[nH]c(=O)[n-]1	ZINC001594895721	954563570	/nfs/dbraw/zinc/56/35/70/954563570.db2.gz	HFPXSLQNIQJRLH-VDTYLAMSSA-N	-3	0	337.258	-0.394	20	0		EBADRL
COc1ccnc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)c1	ZINC001594150859	958794191	/nfs/dbraw/zinc/79/41/91/958794191.db2.gz	PKPPYZQUVCLRGF-UHFFFAOYSA-N	-2	0	327.274	-0.105	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC001588576484	959234362	/nfs/dbraw/zinc/23/43/62/959234362.db2.gz	RUKRVQVICAGVIC-ZETCQYMHSA-N	-2	0	325.306	-0.812	20	0		EBADRL
O=C([O-])c1ccc(F)c(S(=O)(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000392269716	972437073	/nfs/dbraw/zinc/43/70/73/972437073.db2.gz	BMGPCJYJBSTIHC-UHFFFAOYSA-N	-2	0	331.281	-0.279	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1CCCCN(CC(=O)[O-])C1=O	ZINC001604948409	972519783	/nfs/dbraw/zinc/51/97/83/972519783.db2.gz	KTIJGDXKVOGBQC-MRVPVSSYSA-N	-2	0	341.411	-0.986	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@H]3CO2)on1	ZINC000316055254	963971303	/nfs/dbraw/zinc/97/13/03/963971303.db2.gz	WXSHFPFAUHTXPV-IUCAKERBSA-N	-2	0	331.350	-0.486	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n[nH]1	ZINC001604375817	973092443	/nfs/dbraw/zinc/09/24/43/973092443.db2.gz	AJQBWUGXPNFEHG-HTQZYQBOSA-N	-2	0	331.350	-0.072	20	0		EBADRL
Cn1cnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC001605519417	973700758	/nfs/dbraw/zinc/70/07/58/973700758.db2.gz	HJBGYTVCTYIGQV-RQJHMYQMSA-N	-2	0	349.269	-0.449	20	0		EBADRL
C[C@@H](CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-]	ZINC001592636095	978617407	/nfs/dbraw/zinc/61/74/07/978617407.db2.gz	KDDPHKOPTSQYSX-ZETCQYMHSA-N	-2	0	326.309	-0.522	20	0		EBADRL
C[C@@H](CS(=O)(=O)N[C@H](Cn1cc(Cl)cn1)C(=O)[O-])C(=O)[O-]	ZINC001592809592	979490104	/nfs/dbraw/zinc/49/01/04/979490104.db2.gz	XQJIGCIDZAVGER-POYBYMJQSA-N	-2	0	339.757	-0.370	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1=O	ZINC001595371849	980855573	/nfs/dbraw/zinc/85/55/73/980855573.db2.gz	PVLRABDJMDKDCX-GFCCVEGCSA-N	-2	0	344.349	-0.363	20	0		EBADRL
CCCN1C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CC1=O	ZINC001595897007	982944236	/nfs/dbraw/zinc/94/42/36/982944236.db2.gz	UODCSFWUHQMYCS-KXUCPTDWSA-N	-2	0	334.394	-0.200	20	0		EBADRL
CC(=O)NCCNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1	ZINC001589143461	985454303	/nfs/dbraw/zinc/45/43/03/985454303.db2.gz	FVYYZRMITZVMQA-UHFFFAOYSA-N	-2	0	346.343	-0.341	20	0		EBADRL
C[C@H]1CN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)[C@@H](C)CO1	ZINC001594531993	986128170	/nfs/dbraw/zinc/12/81/70/986128170.db2.gz	RPGSYMAJDWPMIK-IUCAKERBSA-N	-2	0	333.366	-0.240	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001596969027	986188759	/nfs/dbraw/zinc/18/87/59/986188759.db2.gz	UEWIWAJMVQXAPQ-VIFPVBQESA-N	-2	0	340.340	-0.610	20	0		EBADRL
C[C@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[C@H]1C(=O)[O-]	ZINC001594561210	986314293	/nfs/dbraw/zinc/31/42/93/986314293.db2.gz	HTKIHZYZQLDHKS-WCBMZHEXSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC001589450433	986840804	/nfs/dbraw/zinc/84/08/04/986840804.db2.gz	DAWPDIITOBUICR-HTQZYQBOSA-N	-2	0	347.397	-0.474	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCCN1C(=O)CCC1=O	ZINC001589451944	986846953	/nfs/dbraw/zinc/84/69/53/986846953.db2.gz	KEQZSBXYQZWCLX-IUCAKERBSA-N	-2	0	348.377	-0.529	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2ccncc12	ZINC001589452804	986851645	/nfs/dbraw/zinc/85/16/45/986851645.db2.gz	ATQXMVPFMIZKML-YUMQZZPRSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCCS1(=O)=O	ZINC001589454354	986877997	/nfs/dbraw/zinc/87/79/97/986877997.db2.gz	VGDJLAGPAVHXIR-DJLDLDEBSA-N	-2	0	341.407	-0.491	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(CS(C)(=O)=O)c1	ZINC001589491845	987060890	/nfs/dbraw/zinc/06/08/90/987060890.db2.gz	OKDYVONHWJHYFQ-MRVPVSSYSA-N	-2	0	349.386	-0.236	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12	ZINC001589493991	987070136	/nfs/dbraw/zinc/07/01/36/987070136.db2.gz	GSAGBWFCKPEJAN-KYXWUPHJSA-N	-2	0	332.378	-0.400	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCNC(=O)c1ccsc1	ZINC001589494406	987071741	/nfs/dbraw/zinc/07/17/41/987071741.db2.gz	JQBURYFMGZKPRW-SSDOTTSWSA-N	-2	0	334.375	-0.213	20	0		EBADRL
CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1)C(=O)[O-]	ZINC001590799378	990628566	/nfs/dbraw/zinc/62/85/66/990628566.db2.gz	SIJSRWFHIKFZRN-UHFFFAOYSA-N	-3	0	330.318	-0.050	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C(=O)[O-])CC1	ZINC001590841197	990711494	/nfs/dbraw/zinc/71/14/94/990711494.db2.gz	ZJHKPLJLVCQZDW-UHFFFAOYSA-N	-2	0	326.271	-0.118	20	0		EBADRL
C[S@@](=O)(=NS(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])c1ccccc1	ZINC001599743586	991896761	/nfs/dbraw/zinc/89/67/61/991896761.db2.gz	IFOISMIIAMOXJA-LXGOIASLSA-N	-2	0	336.391	-0.187	20	0		EBADRL
COC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-]	ZINC001598840585	996522019	/nfs/dbraw/zinc/52/20/19/996522019.db2.gz	REVQRWVGKUIRRS-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])O1	ZINC001598904677	997242004	/nfs/dbraw/zinc/24/20/04/997242004.db2.gz	BQFCZPKSHACQTE-XSPKLOCKSA-N	-2	0	337.350	-0.738	20	0		EBADRL
COc1cc2c(cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-])OCO2	ZINC001599462675	998300942	/nfs/dbraw/zinc/30/09/42/998300942.db2.gz	FLGKZPDRVSGAOF-UHFFFAOYSA-N	-2	0	331.302	-0.042	20	0		EBADRL
COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001599151225	998302448	/nfs/dbraw/zinc/30/24/48/998302448.db2.gz	QXZKWGMVIQOXAY-NSHDSACASA-N	-2	0	336.322	-0.381	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N(C)CC(=O)[O-])c1	ZINC001598961968	998349810	/nfs/dbraw/zinc/34/98/10/998349810.db2.gz	BHRAQUXEHGNMRX-UHFFFAOYSA-N	-2	0	331.302	-0.124	20	0		EBADRL
COC(=O)c1ccc(CCC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1	ZINC001598971752	998528516	/nfs/dbraw/zinc/52/85/16/998528516.db2.gz	LLCGZLLMWUFYIC-UHFFFAOYSA-N	-2	0	329.330	-0.064	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])n1C)OC	ZINC001599166097	998544524	/nfs/dbraw/zinc/54/45/24/998544524.db2.gz	LEBWIWBUZSEEBV-QMMMGPOBSA-N	-2	0	334.350	-0.556	20	0		EBADRL
C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001594209641	998811801	/nfs/dbraw/zinc/81/18/01/998811801.db2.gz	FXKQRCAYEBICEP-MMWGEVLESA-N	-2	0	342.348	-0.744	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1	ZINC001599017160	998948384	/nfs/dbraw/zinc/94/83/84/998948384.db2.gz	QILCATOPLOHWCM-UHFFFAOYSA-N	-2	0	334.331	-0.401	20	0		EBADRL
O=C([O-])c1ccc(F)c(S(=O)(=O)NCCOP(=O)([O-])[O-])c1	ZINC001260217783	1130542902	/nfs/dbraw/zinc/54/29/02/1130542902.db2.gz	DTJSRDYSGQZXQW-UHFFFAOYSA-N	-3	0	343.225	-0.089	20	0		EBADRL
COCCN(CCOC)C(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000560080580	376634826	/nfs/dbraw/zinc/63/48/26/376634826.db2.gz	QDANAXGDEUEONO-CQSZACIVSA-N	-2	0	332.353	-0.047	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000317442401	377217882	/nfs/dbraw/zinc/21/78/82/377217882.db2.gz	LZWVXUSKWQOPKR-IUCAKERBSA-N	-2	0	337.350	-0.623	20	0		EBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000563227549	378783959	/nfs/dbraw/zinc/78/39/59/378783959.db2.gz	YGMHWNAYAAZNSN-JTQLQIEISA-N	-2	0	344.345	-0.405	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cn1	ZINC000629967557	379278256	/nfs/dbraw/zinc/27/82/56/379278256.db2.gz	PGUQOTGIXVRGIG-UHFFFAOYSA-N	-2	0	340.365	-0.361	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1cnn(CC(F)F)c1)C(=O)[O-]	ZINC000275133256	379737446	/nfs/dbraw/zinc/73/74/46/379737446.db2.gz	ITOVOVGDQMVNLU-LURJTMIESA-N	-2	0	341.292	-0.398	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])o1	ZINC000614327541	379922381	/nfs/dbraw/zinc/92/23/81/379922381.db2.gz	CACSFUVFHGAVIL-ZCFIWIBFSA-N	-2	0	335.290	-0.338	20	0		EBADRL
Cn1ncc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1C(=O)[O-]	ZINC000540294109	380010458	/nfs/dbraw/zinc/01/04/58/380010458.db2.gz	FBGBFYQZYXSHRB-UHFFFAOYSA-N	-2	0	349.332	-0.105	20	0		EBADRL
CCn1cncc1S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000547602076	380148524	/nfs/dbraw/zinc/14/85/24/380148524.db2.gz	RPUJAQNWRHSKKI-GFCCVEGCSA-N	-2	0	331.350	-0.157	20	0		EBADRL
O=C([O-])C[C@]1(C(=O)[O-])CCN(S(=O)(=O)CC2CCOCC2)C1	ZINC000547601921	380149075	/nfs/dbraw/zinc/14/90/75/380149075.db2.gz	PMATWGMBAAOGTQ-CYBMUJFWSA-N	-2	0	335.378	-0.006	20	0		EBADRL
CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000548538527	380212833	/nfs/dbraw/zinc/21/28/33/380212833.db2.gz	QQYVZWVTVYCZCG-LLVKDONJSA-N	-2	0	344.345	-0.125	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)c1	ZINC000548580249	380217899	/nfs/dbraw/zinc/21/78/99/380217899.db2.gz	NULHLBUNZDLYAP-IUCAKERBSA-N	-2	0	343.361	-0.232	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000274948876	380565464	/nfs/dbraw/zinc/56/54/64/380565464.db2.gz	HPIKDXINQJPNFH-UHFFFAOYSA-N	-2	0	331.302	-0.367	20	0		EBADRL
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc21	ZINC000274992786	380567475	/nfs/dbraw/zinc/56/74/75/380567475.db2.gz	ZKJRDKGNCAJZHW-QUBYGPBYSA-N	-2	0	342.329	-0.052	20	0		EBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000575993230	380753204	/nfs/dbraw/zinc/75/32/04/380753204.db2.gz	YGMHWNAYAAZNSN-SNVBAGLBSA-N	-2	0	344.345	-0.405	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)CCOCC2CC2)C[C@H]1C(=O)[O-]	ZINC000583807618	381144491	/nfs/dbraw/zinc/14/44/91/381144491.db2.gz	SNELQGPEUHNIDU-GHMZBOCLSA-N	-2	0	335.378	-0.150	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000058144471	381236373	/nfs/dbraw/zinc/23/63/73/381236373.db2.gz	RDSBOJSDCWYFHA-VIFPVBQESA-N	-2	0	331.302	-0.321	20	0		EBADRL
CN(C)C(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000572045148	381634588	/nfs/dbraw/zinc/63/45/88/381634588.db2.gz	QANKPDMHBQNMRF-UHFFFAOYSA-N	-2	0	344.345	-0.452	20	0		EBADRL
COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000274922771	292012987	/nfs/dbraw/zinc/01/29/87/292012987.db2.gz	NECHOHGNKFMALF-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
C[C@@H](CN(C)S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000262435870	154231627	/nfs/dbraw/zinc/23/16/27/154231627.db2.gz	PDEOJKKZMWHMPT-LURJTMIESA-N	-2	0	342.333	-0.223	20	0		EBADRL
O=C([O-])C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000274919317	154627913	/nfs/dbraw/zinc/62/79/13/154627913.db2.gz	AUUHAYHRHTVPRT-LURJTMIESA-N	-2	0	343.317	-0.690	20	0		EBADRL
COC(=O)CC1(CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])CC1	ZINC000274924183	154628504	/nfs/dbraw/zinc/62/85/04/154628504.db2.gz	BSFNQUAORDPSKO-MRVPVSSYSA-N	-2	0	337.350	-0.575	20	0		EBADRL
CC(C)Cn1cnc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274937156	154630410	/nfs/dbraw/zinc/63/04/10/154630410.db2.gz	FLGLWRWTBUQCTL-VIFPVBQESA-N	-2	0	333.366	-0.007	20	0		EBADRL
NC(=O)c1cccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000275036945	154636000	/nfs/dbraw/zinc/63/60/00/154636000.db2.gz	UYTWZWZRGRHTLB-QMMMGPOBSA-N	-2	0	330.318	-0.761	20	0		EBADRL
Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000285256348	154888202	/nfs/dbraw/zinc/88/82/02/154888202.db2.gz	UZGZBMNIUNUQKH-RKDXNWHRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)NCCc2nc(=O)o[n-]2)c1	ZINC000424852354	265078780	/nfs/dbraw/zinc/07/87/80/265078780.db2.gz	LDFUBEKRGOLDCW-JOCHJYFZSA-N	-2	0	325.346	-0.162	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000517412266	272890313	/nfs/dbraw/zinc/89/03/13/272890313.db2.gz	SODZDONZBUQRBY-LBPRGKRZSA-N	-2	0	339.366	-0.329	20	0		EBADRL
CCn1cn[n-]c1=NC(=O)c1ccc(C(=O)N=c2[n-]ncn2CC)o1	ZINC000356328903	545993335	/nfs/dbraw/zinc/99/33/35/545993335.db2.gz	FQQFETXUTIYTCP-UHFFFAOYSA-N	-2	0	344.335	-0.149	20	0		EBADRL
CCn1cc(S(=O)(=O)N2CC[C@@](CC(=O)[O-])(C(=O)[O-])C2)cn1	ZINC000681588754	546307516	/nfs/dbraw/zinc/30/75/16/546307516.db2.gz	JRVUPCJGDIXFHT-LBPRGKRZSA-N	-2	0	331.350	-0.157	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000737689444	582584772	/nfs/dbraw/zinc/58/47/72/582584772.db2.gz	YDFHCCHXWXGNDJ-LURJTMIESA-N	-2	0	331.302	-0.077	20	0		EBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])c1	ZINC000738176759	582726568	/nfs/dbraw/zinc/72/65/68/582726568.db2.gz	YAUILQBXUWVHQG-VHSXEESVSA-N	-2	0	347.370	-0.384	20	0		EBADRL
CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CCCC1	ZINC000736143369	582920445	/nfs/dbraw/zinc/92/04/45/582920445.db2.gz	YJUSXYLWSDLRPY-LBPRGKRZSA-N	-2	0	334.394	-0.008	20	0		EBADRL
CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1	ZINC000736848210	582961766	/nfs/dbraw/zinc/96/17/66/582961766.db2.gz	QFFGIDGTQUQAIU-MRVPVSSYSA-N	-2	0	335.382	-0.941	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(=O)[O-]	ZINC000737362645	583006281	/nfs/dbraw/zinc/00/62/81/583006281.db2.gz	XRKUXAPZBLQGAE-DTWKUNHWSA-N	-2	0	341.345	-0.691	20	0		EBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cn1	ZINC000737544463	583013629	/nfs/dbraw/zinc/01/36/29/583013629.db2.gz	KGAHORTTZPVENN-UHFFFAOYSA-N	-2	0	329.334	-0.634	20	0		EBADRL
O=C([O-])Cc1cccc(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000823387656	583828837	/nfs/dbraw/zinc/82/88/37/583828837.db2.gz	SMLHTOMWWCPXLH-UHFFFAOYSA-N	-2	0	328.292	-0.276	20	0		EBADRL
C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000825817913	583867577	/nfs/dbraw/zinc/86/75/77/583867577.db2.gz	UGDCWKXZVGVESC-RKDXNWHRSA-N	-2	0	334.336	-0.282	20	0		EBADRL
CC(C)(NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000826636982	583909209	/nfs/dbraw/zinc/90/92/09/583909209.db2.gz	YQRHMIDXXZHBBI-UHFFFAOYSA-N	-2	0	328.306	-0.423	20	0		EBADRL
CCCN(C)S(=O)(=O)[N-]C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-]	ZINC000826892296	583911931	/nfs/dbraw/zinc/91/19/31/583911931.db2.gz	GBYPKQJJBARZHH-JTQLQIEISA-N	-2	0	337.398	-0.152	20	0		EBADRL
CCOC(=O)NCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000827327517	583919298	/nfs/dbraw/zinc/91/92/98/583919298.db2.gz	JUUNEQFZSRZEEN-MRVPVSSYSA-N	-2	0	337.354	-0.679	20	0		EBADRL
CC[C@@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)cn1	ZINC000828629003	583943663	/nfs/dbraw/zinc/94/36/63/583943663.db2.gz	YJOABMOJKBOZOR-LBPRGKRZSA-N	-2	0	332.382	-0.542	20	0		EBADRL
COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)cn1	ZINC000829284268	583952467	/nfs/dbraw/zinc/95/24/67/583952467.db2.gz	HODDVEHZESANOZ-VIFPVBQESA-N	-2	0	329.334	-0.098	20	0		EBADRL
NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cc1	ZINC000831222427	583979686	/nfs/dbraw/zinc/97/96/86/583979686.db2.gz	HFRDPSISARUFPG-SNVBAGLBSA-N	-2	0	341.345	-0.403	20	0		EBADRL
O=C(CCCNC(=O)C1CC1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831428528	583982517	/nfs/dbraw/zinc/98/25/17/583982517.db2.gz	INOOEKWNEBEXJC-SNVBAGLBSA-N	-2	0	347.393	-0.509	20	0		EBADRL
O=C(C[C@H]1CSCCN1C(=O)[O-])[N-]S(=O)(=O)[C@@H]1CCOC1	ZINC000831415021	583982621	/nfs/dbraw/zinc/98/26/21/583982621.db2.gz	VQFQAZOHNKCNSY-DTWKUNHWSA-N	-2	0	338.407	-0.293	20	0		EBADRL
O=C(CCN1CCCC1=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831433041	583982815	/nfs/dbraw/zinc/98/28/15/583982815.db2.gz	PGOYEUPJWPUBJV-SECBINFHSA-N	-2	0	333.366	-0.803	20	0		EBADRL
O=C([O-])N(CC(=O)[N-]S(=O)(=O)CCCF)C[C@H]1CCCO1	ZINC000831475066	583983149	/nfs/dbraw/zinc/98/31/49/583983149.db2.gz	WUFWYVINMLDIME-SECBINFHSA-N	-2	0	326.346	-0.049	20	0		EBADRL
O=C(CN(C[C@H]1CCCO1)C(=O)[O-])[N-]S(=O)(=O)N1CCCCC1	ZINC000831473496	583983278	/nfs/dbraw/zinc/98/32/78/583983278.db2.gz	CCRJIBDXYAVBBV-LLVKDONJSA-N	-2	0	349.409	-0.008	20	0		EBADRL
O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)Cn1[n-]cc3c(=O)ncnc1-3)CC2	ZINC000831567363	583985716	/nfs/dbraw/zinc/98/57/16/583985716.db2.gz	LGOWTLQDNXKOPL-ZJUUUORDSA-N	-2	0	346.347	-0.186	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)c2cnn3cccnc23)C1	ZINC000831747861	583991202	/nfs/dbraw/zinc/99/12/02/583991202.db2.gz	MVQHOLDIXXFBKU-MRVPVSSYSA-N	-2	0	339.333	-0.459	20	0		EBADRL
O=C([O-])N[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)N2CCOCC2)C1	ZINC000832325679	583997250	/nfs/dbraw/zinc/99/72/50/583997250.db2.gz	MUEJDWCSMCLJBU-UWVGGRQHSA-N	-2	0	335.382	-0.494	20	0		EBADRL
O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)N2CCOCC2)cc1	ZINC000833253593	584007814	/nfs/dbraw/zinc/00/78/14/584007814.db2.gz	LZNQIXFEYVHODB-UHFFFAOYSA-N	-2	0	344.345	-0.543	20	0		EBADRL
C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	ZINC000833590331	584012189	/nfs/dbraw/zinc/01/21/89/584012189.db2.gz	POBZSVBYBOIMTF-GXSJLCMTSA-N	-2	0	334.394	-0.041	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](CC(F)F)NC(=O)[O-]	ZINC000833883707	584018711	/nfs/dbraw/zinc/01/87/11/584018711.db2.gz	QALVEOQMDVYFQY-ZCFIWIBFSA-N	-2	0	333.313	-0.783	20	0		EBADRL
O=C([O-])N1CCSC[C@@H]1CC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	ZINC000834290962	584030887	/nfs/dbraw/zinc/03/08/87/584030887.db2.gz	VAXWDIMLFVDXHH-DTWKUNHWSA-N	-2	0	342.377	-0.766	20	0		EBADRL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn[nH]n1	ZINC000851701154	584200801	/nfs/dbraw/zinc/20/08/01/584200801.db2.gz	FSIDCXYRSXNTKU-CAHLUQPWSA-N	-2	0	335.242	-0.459	20	0		EBADRL
C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1[N-]C(=O)C(F)(F)F	ZINC000856418366	584268740	/nfs/dbraw/zinc/26/87/40/584268740.db2.gz	WNZBVKONUGPGOA-RITPCOANSA-N	-2	0	349.269	-0.188	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000013028170	584310874	/nfs/dbraw/zinc/31/08/74/584310874.db2.gz	NDJKQBSJCMPFLU-ZETCQYMHSA-N	-3	0	347.301	-0.400	20	0		EBADRL
O=C([O-])COCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000863952131	584380612	/nfs/dbraw/zinc/38/06/12/584380612.db2.gz	KXEBVQLYJLRGFP-UHFFFAOYSA-N	-2	0	331.302	-0.636	20	0		EBADRL
CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000863953469	584380771	/nfs/dbraw/zinc/38/07/71/584380771.db2.gz	VXAFCWPZLMSHJS-SECBINFHSA-N	-2	0	331.350	-0.714	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(C)nn1C	ZINC000863959905	584381568	/nfs/dbraw/zinc/38/15/68/584381568.db2.gz	ROFAHLISNNJKEG-UHFFFAOYSA-N	-2	0	331.350	-0.203	20	0		EBADRL
CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000863965364	584382209	/nfs/dbraw/zinc/38/22/09/584382209.db2.gz	HOZDDUTYDSUODP-ZETCQYMHSA-N	-2	0	333.322	-0.675	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1C(=O)[O-]	ZINC000739036152	599739469	/nfs/dbraw/zinc/73/94/69/599739469.db2.gz	IFIYDRDKIDQTCC-UHFFFAOYSA-N	-3	0	328.306	-0.195	20	0		EBADRL
O=C([O-])COc1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1	ZINC000739823566	600261671	/nfs/dbraw/zinc/26/16/71/600261671.db2.gz	BCKCFSZZLLNRRS-NSHDSACASA-N	-2	0	333.304	-0.123	20	0		EBADRL
O=C([O-])NCCOCC(=O)[N-]S(=O)(=O)N1CCc2ccccc21	ZINC000740665482	602676710	/nfs/dbraw/zinc/67/67/10/602676710.db2.gz	XRZGPIYVELMRGS-UHFFFAOYSA-N	-2	0	343.361	-0.306	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-])cc1C(N)=O	ZINC000740148311	602687231	/nfs/dbraw/zinc/68/72/31/602687231.db2.gz	RUMCYGIIMIXXTR-ZETCQYMHSA-N	-2	0	329.334	-0.445	20	0		EBADRL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)OCC(=O)[N-]OCc1ccccc1	ZINC000740378242	603155185	/nfs/dbraw/zinc/15/51/85/603155185.db2.gz	OMOIMAVDATWRBL-VXGBXAGGSA-N	-2	0	338.316	-0.109	20	0		EBADRL
O=C([O-])CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000025501461	649934725	/nfs/dbraw/zinc/93/47/25/649934725.db2.gz	AFDKOMRPACLUPH-QMMMGPOBSA-N	-2	0	342.329	-0.513	20	0		EBADRL
O=C(COC1CN(C(=O)[O-])C1)N[C@H](c1nnn[n-]1)c1ccccc1	ZINC000831529308	603473072	/nfs/dbraw/zinc/47/30/72/603473072.db2.gz	JATOUMBWDILLKD-LBPRGKRZSA-N	-2	0	332.320	-0.216	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)NC2CN(Cc3n[nH]c(=O)[n-]3)C2)cc1=O	ZINC001030624448	730615783	/nfs/dbraw/zinc/61/57/83/730615783.db2.gz	FGFQGXLAYJHAPO-UHFFFAOYSA-N	-2	0	349.395	-0.801	20	0		EBADRL
Cc1[nH]nc(C(=O)N2CC[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1[O-]	ZINC001075692347	742273620	/nfs/dbraw/zinc/27/36/20/742273620.db2.gz	VDMFCIPKEJTUEJ-DTWKUNHWSA-N	-2	0	333.352	-0.406	20	0		EBADRL
Cc1[nH]nc(C(=O)N(C)C2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1[O-]	ZINC001005260844	809843013	/nfs/dbraw/zinc/84/30/13/809843013.db2.gz	DRCQVYVLRZJXET-UHFFFAOYSA-N	-2	0	335.368	-0.016	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)c1cccc(O)c1)[C@H](O)C(=O)[O-]	ZINC001222222658	811609671	/nfs/dbraw/zinc/60/96/71/811609671.db2.gz	NGYHYIDZBCHHCG-SKDRFNHKSA-N	-2	0	326.257	-0.346	20	0		EBADRL
COc1ccnc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C	ZINC001223623005	811718423	/nfs/dbraw/zinc/71/84/23/811718423.db2.gz	AXWJLEDONTYPJH-QPUJVOFHSA-N	-2	0	327.289	-0.022	20	0		EBADRL
CC(=O)N1CCC(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])CC1	ZINC001224285495	811754839	/nfs/dbraw/zinc/75/48/39/811754839.db2.gz	ZWMRYGSYBVSWGE-JQWIXIFHSA-N	-2	0	331.321	-0.676	20	0		EBADRL
COc1cccc(NC(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001224452471	811760298	/nfs/dbraw/zinc/76/02/98/811760298.db2.gz	KCTWIHKVLUQJPA-SNVBAGLBSA-N	-2	0	349.232	-0.353	20	0		EBADRL
COc1ccc(NC(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001224700001	811771389	/nfs/dbraw/zinc/77/13/89/811771389.db2.gz	UZTTWOHDADUHJY-SNVBAGLBSA-N	-2	0	349.232	-0.353	20	0		EBADRL
C[C@H](COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])NC(=O)OC(C)(C)C	ZINC001225159324	811795909	/nfs/dbraw/zinc/79/59/09/811795909.db2.gz	PGWBFKDPAPKQLB-KHQFGBGNSA-N	-2	0	349.336	-0.021	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nccc(C(F)(F)F)n1)[C@@H](O)C(=O)[O-]	ZINC001225709632	811825205	/nfs/dbraw/zinc/82/52/05/811825205.db2.gz	AVCIFEBUPFSEFJ-CLZZGJSISA-N	-2	0	338.194	-0.063	20	0		EBADRL
COC(=O)c1sccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226266703	811855809	/nfs/dbraw/zinc/85/58/09/811855809.db2.gz	BMJPGZJHAVXEPE-YLWLKBPMSA-N	-2	0	332.286	-0.024	20	0		EBADRL
CCOC(=O)c1cn(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226444957	811865555	/nfs/dbraw/zinc/86/55/55/811865555.db2.gz	UDIMFTQSQWSPIJ-MUWHJKNJSA-N	-2	0	344.276	-0.961	20	0		EBADRL
CCOC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n(C)n1	ZINC001226562229	811869168	/nfs/dbraw/zinc/86/91/68/811869168.db2.gz	YLWTVDUKIHHSGH-LDWIPMOCSA-N	-2	0	344.276	-0.961	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccc2c1OCCO2)[C@@H](O)C(=O)[O-]	ZINC001226627410	811875437	/nfs/dbraw/zinc/87/54/37/811875437.db2.gz	HPNNTPCNEJCCNY-WRWORJQWSA-N	-2	0	326.257	-0.100	20	0		EBADRL
CCOC(=O)c1ccncc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001226692413	811878221	/nfs/dbraw/zinc/87/82/21/811878221.db2.gz	MQIYANWBTHMNBA-KCJUWKMLSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2ccccc21)[C@@H](O)C(=O)[O-]	ZINC001226980316	811894451	/nfs/dbraw/zinc/89/44/51/811894451.db2.gz	IBGYRLYFWPYAIL-GMSGAONNSA-N	-3	0	336.256	-0.223	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2[nH]ccc21)[C@H](O)C(=O)[O-]	ZINC001227274944	811914256	/nfs/dbraw/zinc/91/42/56/811914256.db2.gz	QUFZMQKCHAMGFY-VDTYLAMSSA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2[nH]ccc21)[C@H](O)C(=O)[O-]	ZINC001227274942	811914524	/nfs/dbraw/zinc/91/45/24/811914524.db2.gz	QUFZMQKCHAMGFY-FSPLSTOPSA-N	-3	0	325.233	-0.895	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2nc[nH]c21)[C@H](O)C(=O)[O-]	ZINC001227615761	811930572	/nfs/dbraw/zinc/93/05/72/811930572.db2.gz	FFQKRDYJMLNKJW-DZSWIPIPSA-N	-2	0	342.289	-0.917	20	0		EBADRL
C[C@@H]1OCc2c1nc(=O)[n-]c2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227715760	811940391	/nfs/dbraw/zinc/94/03/91/811940391.db2.gz	GBENNCNNHNFTIT-ZDEZVYLVSA-N	-3	0	342.260	-0.785	20	0		EBADRL
O=C(OC1N=NC(=O)N1c1ccccc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228132338	811964402	/nfs/dbraw/zinc/96/44/02/811964402.db2.gz	PBOKNJIWUAMOHE-MRVPVSSYSA-N	-2	0	345.204	-0.652	20	0		EBADRL
COC(=O)c1ccc(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001228788242	811996887	/nfs/dbraw/zinc/99/68/87/811996887.db2.gz	OYGMTDBKMSIKEI-PSASIEDQSA-N	-2	0	341.272	-0.382	20	0		EBADRL
CNC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229317026	812026362	/nfs/dbraw/zinc/02/63/62/812026362.db2.gz	CXAWYKKDHCWCAB-KWQFWETISA-N	-2	0	325.273	-0.512	20	0		EBADRL
CCOC(=O)c1cnn(C)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001230370375	812108796	/nfs/dbraw/zinc/10/87/96/812108796.db2.gz	SZJTWDICFJBHLW-MUWHJKNJSA-N	-2	0	344.276	-0.961	20	0		EBADRL
CCOC(=O)c1cnn(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001230370374	812109051	/nfs/dbraw/zinc/10/90/51/812109051.db2.gz	SZJTWDICFJBHLW-IMTBSYHQSA-N	-2	0	344.276	-0.961	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cn1	ZINC001233495895	812311926	/nfs/dbraw/zinc/31/19/26/812311926.db2.gz	UEKPDVCUJBTFSJ-SECBINFHSA-N	-2	0	335.205	-0.366	20	0		EBADRL
NC(=O)c1cnoc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260393711	812831666	/nfs/dbraw/zinc/83/16/66/812831666.db2.gz	UKIJFDMNSKJATC-UHFFFAOYSA-N	-2	0	327.274	-0.022	20	0		EBADRL
CC(C)(C)OC(=O)N[C@H](CO)CC(=O)NCCOP(=O)([O-])[O-]	ZINC001182695931	833253353	/nfs/dbraw/zinc/25/33/53/833253353.db2.gz	OSRWLJAODQNOPB-QMMMGPOBSA-N	-2	0	342.285	-0.512	20	0		EBADRL
CN(Cc1ccccc1)[C@@H](CO)C(=O)NCCOP(=O)([O-])[O-]	ZINC001185235276	833351033	/nfs/dbraw/zinc/35/10/33/833351033.db2.gz	MSYWIIDYZXGSDB-LBPRGKRZSA-N	-2	0	332.293	-0.295	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1ccc2c(=O)[nH]c(=O)[nH]c2c1	ZINC001153801008	831272734	/nfs/dbraw/zinc/27/27/34/831272734.db2.gz	VBQADPSENAJSCX-UHFFFAOYSA-N	-2	0	329.205	-0.120	20	0		EBADRL
CC(=O)[N-]S(=O)(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)nc1	ZINC001155844485	831434333	/nfs/dbraw/zinc/43/43/33/831434333.db2.gz	NAINAHGDGUBVJP-VIFPVBQESA-N	-2	0	330.347	-0.373	20	0		EBADRL
O=P([O-])([O-])OCCNc1nc2c(c(N3CCOCC3)n1)CNC2	ZINC001157796162	831594489	/nfs/dbraw/zinc/59/44/89/831594489.db2.gz	YPYBBAFAWBVION-UHFFFAOYSA-N	-2	0	345.296	-0.562	20	0		EBADRL
O=C(Cn1cc(Br)cn1)NCCOP(=O)([O-])[O-]	ZINC001176997160	832730780	/nfs/dbraw/zinc/73/07/80/832730780.db2.gz	TWXYAZHERDJIRV-UHFFFAOYSA-N	-2	0	328.059	-0.129	20	0		EBADRL
CN1CCN(C(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1=O	ZINC001189915548	834207916	/nfs/dbraw/zinc/20/79/16/834207916.db2.gz	ZNPVLPYAMZVFGE-UHFFFAOYSA-N	-2	0	342.329	-0.454	20	0		EBADRL
NC(=O)C1(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)CC1	ZINC001189932660	834209263	/nfs/dbraw/zinc/20/92/63/834209263.db2.gz	BBPHRKWUMJEDMY-UHFFFAOYSA-N	-2	0	328.302	-0.621	20	0		EBADRL
O=C([O-])c1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)O3)cc(S(=O)(=O)[O-])c1	ZINC001189924628	834209833	/nfs/dbraw/zinc/20/98/33/834209833.db2.gz	SDUIOHDLKFRVRL-WPRPVWTQSA-N	-2	0	341.297	-0.229	20	0		EBADRL
O=C([O-])c1cc(C(=O)N[C@H]2COCC[C@@H]2O)cc(S(=O)(=O)[O-])c1	ZINC001189933886	834210528	/nfs/dbraw/zinc/21/05/28/834210528.db2.gz	OSVAKUGFFQPPCR-QWRGUYRKSA-N	-2	0	345.329	-0.489	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC[C@H]2CNC(=O)C2)cc(S(=O)(=O)[O-])c1	ZINC001189934353	834211120	/nfs/dbraw/zinc/21/11/20/834211120.db2.gz	SVCIJEUNBHBPLU-SSDOTTSWSA-N	-2	0	342.329	-0.503	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cc(N2CCOCC2)ccn1	ZINC001192259999	834631737	/nfs/dbraw/zinc/63/17/37/834631737.db2.gz	UFLPSMSRKBUHMV-UHFFFAOYSA-N	-2	0	331.265	-0.243	20	0		EBADRL
C[C@H]1[C@H](NC(=O)c2c(F)ccc(F)c2[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001192719015	834721630	/nfs/dbraw/zinc/72/16/30/834721630.db2.gz	HWOMEIRALZZAHT-NVNXEXLPSA-N	-2	0	336.272	-0.198	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)NCS(=O)(=O)[O-])c(F)cc1F	ZINC001195254935	835203794	/nfs/dbraw/zinc/20/37/94/835203794.db2.gz	PYYKIGQMTIIWOH-UHFFFAOYSA-N	-2	0	331.274	-0.213	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]c1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001195975189	835322075	/nfs/dbraw/zinc/32/20/75/835322075.db2.gz	WOGYWBXLXBZNSA-UHFFFAOYSA-N	-2	0	348.358	-0.577	20	0		EBADRL
O=C([O-])c1ccccc1S(=O)(=O)NCCOP(=O)([O-])[O-]	ZINC001198797710	835724464	/nfs/dbraw/zinc/72/44/64/835724464.db2.gz	KIWGEUXWZQDAOA-UHFFFAOYSA-N	-3	0	325.235	-0.228	20	0		EBADRL
COc1ccccc1C(=O)COC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001204745399	836527349	/nfs/dbraw/zinc/52/73/49/836527349.db2.gz	GHTDQQQHAMFDDF-SNVBAGLBSA-N	-2	0	334.217	-0.109	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCc1ccc2c(c1)OCO2)[C@H](O)C(=O)[O-]	ZINC001206272356	836635830	/nfs/dbraw/zinc/63/58/30/836635830.db2.gz	HEWXOUPVQTVSII-PELKAZGASA-N	-2	0	326.257	-0.005	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CC2)CC1	ZINC001330254335	841150632	/nfs/dbraw/zinc/15/06/32/841150632.db2.gz	PNDIRHGCSLJPBO-LLVKDONJSA-N	-2	0	332.378	-0.446	20	0		EBADRL
O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cn1	ZINC000324822694	971160711	/nfs/dbraw/zinc/16/07/11/971160711.db2.gz	ABHPRXWIYZAMKO-UHFFFAOYSA-N	-2	0	349.332	-0.256	20	0		EBADRL
CC(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1	ZINC001573496908	946333352	/nfs/dbraw/zinc/33/33/52/946333352.db2.gz	GVUXNCVTKWGYLO-VIFPVBQESA-N	-2	0	343.351	-0.675	20	0		EBADRL
O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC001595286231	950033780	/nfs/dbraw/zinc/03/37/80/950033780.db2.gz	VSHBVQNGIZVXBB-MFKMUULPSA-N	-2	0	344.327	-0.595	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)C[C@@H]2CCOC2)CCOCC1	ZINC001594976738	950925516	/nfs/dbraw/zinc/92/55/16/950925516.db2.gz	JUPXGZWSERUZEY-SNVBAGLBSA-N	-2	0	335.378	-0.260	20	0		EBADRL
O=C([O-])CC1(C(=O)[N-]S(=O)(=O)C[C@H]2CCOC2)CCOCC1	ZINC001594976737	950925605	/nfs/dbraw/zinc/92/56/05/950925605.db2.gz	JUPXGZWSERUZEY-JTQLQIEISA-N	-2	0	335.378	-0.260	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)c2cnc3n2CCC3)on1	ZINC001595214374	952367106	/nfs/dbraw/zinc/36/71/06/952367106.db2.gz	IBTQEQMRWSBQCX-UHFFFAOYSA-N	-2	0	326.290	-0.366	20	0		EBADRL
CN(C)C(=O)c1cccnc1S(=O)(=O)[N-]C(=O)CCC(=O)[O-]	ZINC001593688986	954011823	/nfs/dbraw/zinc/01/18/23/954011823.db2.gz	HIOQDEHBUVNHRR-UHFFFAOYSA-N	-2	0	329.334	-0.547	20	0		EBADRL
C[C@@H](Cc1cnn(C)c1)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001589083355	955880010	/nfs/dbraw/zinc/88/00/10/955880010.db2.gz	KVWCIOFTOFVILM-ZETCQYMHSA-N	-2	0	342.333	-0.210	20	0		EBADRL
CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000391475139	972340444	/nfs/dbraw/zinc/34/04/44/972340444.db2.gz	OAWZZOPQXCXUKO-UHFFFAOYSA-N	-2	0	325.368	-0.791	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001594170829	958996924	/nfs/dbraw/zinc/99/69/24/958996924.db2.gz	WFFRLPJAVGHLKE-UHFFFAOYSA-N	-2	0	334.394	-0.006	20	0		EBADRL
O=C([O-])c1cnc(C(=O)[N-]S(=O)(=O)c2ncccc2F)cn1	ZINC001595266686	970340955	/nfs/dbraw/zinc/34/09/55/970340955.db2.gz	QSDYOUZGIITOOX-UHFFFAOYSA-N	-2	0	326.265	-0.172	20	0		EBADRL
CCC(CC)(NC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O)c1nnn[n-]1	ZINC001603543090	973597401	/nfs/dbraw/zinc/59/74/01/973597401.db2.gz	FJAJCKMFKQOZRV-VIFPVBQESA-N	-2	0	338.368	-0.346	20	0		EBADRL
C[C@H](CS(=O)(=O)[N-][C@@H](CO)C(=O)OCc1ccccc1)C(=O)[O-]	ZINC001592806005	979465901	/nfs/dbraw/zinc/46/59/01/979465901.db2.gz	BEYRVIHOHLAIJA-PWSUYJOCSA-N	-2	0	345.373	-0.269	20	0		EBADRL
C[C@H]1CN(C(=O)C(=O)NCCCCCC(=O)[O-])C[C@@H](C(=O)[O-])O1	ZINC001599912414	985003355	/nfs/dbraw/zinc/00/33/55/985003355.db2.gz	HGOPXXWQBAXZLA-UWVGGRQHSA-N	-2	0	330.337	-0.552	20	0		EBADRL
C[C@H]1[C@@H](C(=O)[O-])CCCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001599936612	985403619	/nfs/dbraw/zinc/40/36/19/985403619.db2.gz	YMLPZHAWDYSNJJ-WPRPVWTQSA-N	-2	0	331.350	-0.159	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cn1C	ZINC001589450257	986839109	/nfs/dbraw/zinc/83/91/09/986839109.db2.gz	CCIRVXJUKXNWKL-RNFRBKRXSA-N	-2	0	331.350	-0.707	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O	ZINC001589450677	986840392	/nfs/dbraw/zinc/84/03/92/986840392.db2.gz	DZOHWKLMFDGMAE-SFYZADRCSA-N	-2	0	334.350	-0.919	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(=O)c1cnn(C(C)(C)C)c1	ZINC001589494415	987071680	/nfs/dbraw/zinc/07/16/80/987071680.db2.gz	JRGKLHOAMUPODK-ZETCQYMHSA-N	-2	0	331.350	-0.260	20	0		EBADRL
CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(O)(C(=O)[O-])C1	ZINC001597231551	987190466	/nfs/dbraw/zinc/19/04/66/987190466.db2.gz	PLCZPKFZGPITMM-UHFFFAOYSA-N	-2	0	328.346	-0.280	20	0		EBADRL
CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cn1	ZINC001589657269	987629489	/nfs/dbraw/zinc/62/94/89/987629489.db2.gz	WXZVYNPMGZJOQV-QMMMGPOBSA-N	-2	0	338.320	-0.426	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@@H](C(=O)[O-])O1	ZINC001599850043	988997475	/nfs/dbraw/zinc/99/74/75/988997475.db2.gz	VGWMLOYEPKLURK-ITMYJUKJSA-N	-2	0	328.321	-0.990	20	0		EBADRL
C[C@@H]1CN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)C[C@@H](C(=O)[O-])O1	ZINC001599851386	989018858	/nfs/dbraw/zinc/01/88/58/989018858.db2.gz	UFUCMJGRFPLWNW-MIMYLULJSA-N	-2	0	342.348	-0.696	20	0		EBADRL
CCn1c2ccccc2n(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])c1=O	ZINC001597835083	989511740	/nfs/dbraw/zinc/51/17/40/989511740.db2.gz	OHRJFWJATYGEBT-UHFFFAOYSA-N	-2	0	341.345	-0.647	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@H](CC(=O)[O-])c1ccccn1	ZINC001598470898	992024329	/nfs/dbraw/zinc/02/43/29/992024329.db2.gz	CIXGHHKFMKMRDS-SNVBAGLBSA-N	-2	0	331.350	-0.162	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)CC1(CC(=O)[O-])CCCC1	ZINC001599757737	992076366	/nfs/dbraw/zinc/07/63/66/992076366.db2.gz	WUFJCUXBDIXXKN-UHFFFAOYSA-N	-2	0	334.394	-0.006	20	0		EBADRL
CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@]2(C(=O)[O-])C[C@@H](O)C2)cn1	ZINC001599761318	992126652	/nfs/dbraw/zinc/12/66/52/992126652.db2.gz	WDTPZKBXVDHFQO-LYWQIFSTSA-N	-2	0	329.334	-0.839	20	0		EBADRL
CC(C)NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1	ZINC001591657110	992986819	/nfs/dbraw/zinc/98/68/19/992986819.db2.gz	FOOLCXSRIVVFQN-UHFFFAOYSA-N	-2	0	328.346	-0.031	20	0		EBADRL
COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(C(=O)[O-])c1	ZINC001598688600	995030384	/nfs/dbraw/zinc/03/03/84/995030384.db2.gz	GUDOAMOLTDMCCA-RNFRBKRXSA-N	-2	0	332.334	-0.030	20	0		EBADRL
COC(=O)[C@]1([N-]S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CCOC1	ZINC001598726043	995519865	/nfs/dbraw/zinc/51/98/65/995519865.db2.gz	VQEQUXWVJBIEAE-NRUUGDAUSA-N	-2	0	335.378	-0.119	20	0		EBADRL
C[C@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1	ZINC001593762384	996429925	/nfs/dbraw/zinc/42/99/25/996429925.db2.gz	KZRYBFORZUWWDS-OTYXRUKQSA-N	-2	0	328.321	-0.988	20	0		EBADRL
C[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)C1	ZINC001593762383	996430099	/nfs/dbraw/zinc/43/00/99/996430099.db2.gz	KZRYBFORZUWWDS-LKFCYVNXSA-N	-2	0	328.321	-0.988	20	0		EBADRL
COC(=O)CC[C@@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)[O-]	ZINC001598856908	996645734	/nfs/dbraw/zinc/64/57/34/996645734.db2.gz	WYHHKZMBXUWUMU-LLVKDONJSA-N	-2	0	341.364	-0.103	20	0		EBADRL
COC(=O)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1	ZINC001598868526	996723991	/nfs/dbraw/zinc/72/39/91/996723991.db2.gz	OXEDOTGPOZLNBP-UHFFFAOYSA-N	-2	0	329.330	-0.064	20	0		EBADRL
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1	ZINC001598893544	997035690	/nfs/dbraw/zinc/03/56/90/997035690.db2.gz	YUYKQKBHNUHURX-LLVKDONJSA-N	-2	0	341.364	-0.103	20	0		EBADRL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC[C@H](O)C(=O)[O-]	ZINC001599502014	997140888	/nfs/dbraw/zinc/14/08/88/997140888.db2.gz	VBSJXLOBCCSMEX-QMMMGPOBSA-N	-2	0	333.318	-0.493	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1	ZINC001599319924	997562870	/nfs/dbraw/zinc/56/28/70/997562870.db2.gz	FLJJQOGYGPYZCR-NWDGAFQWSA-N	-2	0	337.332	-0.121	20	0		EBADRL
COCCN([C@H](C)C(=O)[O-])S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001599231819	997874171	/nfs/dbraw/zinc/87/41/71/997874171.db2.gz	AVDRSPPGNZGZOY-ZCFIWIBFSA-N	-2	0	338.363	-0.049	20	0		EBADRL
CC12CC(C(=O)[O-])(C1)N(S(=O)(=O)N1CCC(C(=O)[O-])CC1)C2	ZINC001594088908	998027205	/nfs/dbraw/zinc/02/72/05/998027205.db2.gz	STHLUSQSSQGZLH-UHFFFAOYSA-N	-2	0	332.378	-0.033	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])n[nH]1	ZINC001598952539	998180245	/nfs/dbraw/zinc/18/02/45/998180245.db2.gz	YQZSCQUZJQYOIE-APPZFPTMSA-N	-2	0	347.349	-0.551	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001599251335	998236657	/nfs/dbraw/zinc/23/66/57/998236657.db2.gz	DTHCTLGYZMYGKH-XYPYZODXSA-N	-2	0	337.394	-0.014	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@@H](F)C(=O)[O-])c1	ZINC001598963384	998373728	/nfs/dbraw/zinc/37/37/28/998373728.db2.gz	KVCPPOQPKXSDKX-MRVPVSSYSA-N	-2	0	349.292	-0.128	20	0		EBADRL
COC[C@](C)([N-]S(=O)(=O)c1scnc1C(=O)OC)C(=O)[O-]	ZINC001599157313	998395467	/nfs/dbraw/zinc/39/54/67/998395467.db2.gz	ZASXBSBTNWBPKL-JTQLQIEISA-N	-2	0	338.363	-0.302	20	0		EBADRL
COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])n1	ZINC001599270624	998540893	/nfs/dbraw/zinc/54/08/93/998540893.db2.gz	AIPSBBBQPUFARK-IUCAKERBSA-N	-2	0	333.366	-0.302	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C1	ZINC001594209643	998811588	/nfs/dbraw/zinc/81/15/88/998811588.db2.gz	FXKQRCAYEBICEP-RCWTZXSCSA-N	-2	0	342.348	-0.744	20	0		EBADRL
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001412294808	1129497613	/nfs/dbraw/zinc/49/76/13/1129497613.db2.gz	WNWUCPVRCUMLOV-WDSKDSINSA-N	-2	0	349.269	-0.046	20	0		EBADRL
COCCCNC(=O)N[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000064941014	376215821	/nfs/dbraw/zinc/21/58/21/376215821.db2.gz	MJPULGYMNVVMHQ-UHFFFAOYSA-N	-2	0	331.350	-0.086	20	0		EBADRL
O=C([O-])[C@H](O)CNS(=O)(=O)c1cncc(Br)c1	ZINC000090263036	377395111	/nfs/dbraw/zinc/39/51/11/377395111.db2.gz	IVCLYRTXYRXBFF-SSDOTTSWSA-N	-2	0	325.140	-0.432	20	0		EBADRL
COc1ccc(OC)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000316874854	378510567	/nfs/dbraw/zinc/51/05/67/378510567.db2.gz	WXBNKDSRUHQVAB-QMMMGPOBSA-N	-2	0	333.318	-0.090	20	0		EBADRL
C[C@@H]1CCCc2nc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn21	ZINC000571505705	379194824	/nfs/dbraw/zinc/19/48/24/379194824.db2.gz	WLGHGBKOTIMFRV-HTQZYQBOSA-N	-2	0	331.350	-0.013	20	0		EBADRL
O=C([O-])CCCCNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000274902546	379721690	/nfs/dbraw/zinc/72/16/90/379721690.db2.gz	ILTKXCUNWRAVLO-UHFFFAOYSA-N	-2	0	342.333	-0.031	20	0		EBADRL
Cn1cnc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c1Cl	ZINC000274919161	379723684	/nfs/dbraw/zinc/72/36/84/379723684.db2.gz	AROHNRMXYPVUJG-RXMQYKEDSA-N	-2	0	325.730	-0.473	20	0		EBADRL
CCOC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000274974568	379729934	/nfs/dbraw/zinc/72/99/34/379729934.db2.gz	WVQKNBUZFZIBIQ-MRVPVSSYSA-N	-2	0	348.333	-0.592	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275082411	379736783	/nfs/dbraw/zinc/73/67/83/379736783.db2.gz	IXKWHGWBLHSRFU-HLTSFMKQSA-N	-2	0	337.350	-0.767	20	0		EBADRL
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000547552950	380143601	/nfs/dbraw/zinc/14/36/01/380143601.db2.gz	GRHICMFSRSDKQP-BDAKNGLRSA-N	-2	0	337.350	-0.481	20	0		EBADRL
C[C@@](CNS(=O)(=O)c1ccc(C(N)=O)cc1)(CC(=O)[O-])C(=O)[O-]	ZINC000547933070	380173559	/nfs/dbraw/zinc/17/35/59/380173559.db2.gz	QGQLLEUBVHAFIA-ZDUSSCGKSA-N	-2	0	344.345	-0.371	20	0		EBADRL
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000548210058	380190867	/nfs/dbraw/zinc/19/08/67/380190867.db2.gz	BEUFJSLBRNNMFQ-IWSPIJDZSA-N	-2	0	337.350	-0.435	20	0		EBADRL
COCCn1cc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])cn1	ZINC000548263631	380194900	/nfs/dbraw/zinc/19/49/00/380194900.db2.gz	DYEWRBNFSFIRRC-GFCCVEGCSA-N	-2	0	349.365	-0.627	20	0		EBADRL
C[C@@](CNS(=O)(=O)c1cnc2n1CCC2)(CC(=O)[O-])C(=O)[O-]	ZINC000548261382	380195455	/nfs/dbraw/zinc/19/54/55/380195455.db2.gz	FASZQNKURZPQEA-LBPRGKRZSA-N	-2	0	331.350	-0.327	20	0		EBADRL
NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1	ZINC000360869245	380268939	/nfs/dbraw/zinc/26/89/39/380268939.db2.gz	DISVACIXOOQTGV-UHFFFAOYSA-N	-2	0	338.345	-0.204	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn1C	ZINC000548538236	380213046	/nfs/dbraw/zinc/21/30/46/380213046.db2.gz	FRYNMMHZHVRADG-SSDOTTSWSA-N	-2	0	334.306	-0.982	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CCC1	ZINC000290884906	380474128	/nfs/dbraw/zinc/47/41/28/380474128.db2.gz	CFMZKIKPFAUNNS-QMMMGPOBSA-N	-2	0	337.350	-0.433	20	0		EBADRL
CC(=O)Nc1ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])s1	ZINC000582848900	381081465	/nfs/dbraw/zinc/08/14/65/381081465.db2.gz	QKLCJFUSFSBDNV-YFKPBYRVSA-N	-2	0	337.335	-0.692	20	0		EBADRL
COC(=O)c1sccc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000110969243	292042891	/nfs/dbraw/zinc/04/28/91/292042891.db2.gz	RMPVYENVAGQBQY-UHFFFAOYSA-N	-2	0	337.331	-0.305	20	0		EBADRL
Cc1nc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cn1C	ZINC000189510587	154151526	/nfs/dbraw/zinc/15/15/26/154151526.db2.gz	JYVDLJIEISIQFY-UHFFFAOYSA-N	-2	0	335.349	-0.202	20	0		EBADRL
COCC[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000262298699	154223377	/nfs/dbraw/zinc/22/33/77/154223377.db2.gz	NCJMRDVNLNYQNW-BZNIZROVSA-N	-2	0	349.343	-0.039	20	0		EBADRL
C[C@]1(c2cccc(C(=O)N[C@]3(C(=O)[O-])CCOC3)c2)NC(=O)NC1=O	ZINC000262933518	154251368	/nfs/dbraw/zinc/25/13/68/154251368.db2.gz	KGENQGQWVSWARY-HZPDHXFCSA-N	-2	0	347.327	-0.285	20	0		EBADRL
COC(=O)c1ccc(C)c(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c1	ZINC000274950638	154631787	/nfs/dbraw/zinc/63/17/87/154631787.db2.gz	HYRLHXZUVSOIFK-UHFFFAOYSA-N	-2	0	345.329	-0.058	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)c2ccc(C(N)=O)nc2)s1	ZINC000344370057	156221416	/nfs/dbraw/zinc/22/14/16/156221416.db2.gz	MMUDNMDTGXBRFX-UHFFFAOYSA-N	-2	0	342.362	-0.344	20	0		EBADRL
COC(=O)C(C)(C)CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000517412265	420700538	/nfs/dbraw/zinc/70/05/38/420700538.db2.gz	SODZDONZBUQRBY-GFCCVEGCSA-N	-2	0	339.366	-0.329	20	0		EBADRL
Cc1cc(C(N)=O)cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000656509188	420897574	/nfs/dbraw/zinc/89/75/74/420897574.db2.gz	NXPYPVOLUTWKFW-VIFPVBQESA-N	-2	0	330.318	-0.700	20	0		EBADRL
O=C([O-])c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1	ZINC000424236991	265053625	/nfs/dbraw/zinc/05/36/25/265053625.db2.gz	HHIYAHCEMDHPSZ-JTQLQIEISA-N	-2	0	327.314	-0.291	20	0		EBADRL
CCc1n[n-]c(=NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)s1	ZINC000424465939	265064176	/nfs/dbraw/zinc/06/41/76/265064176.db2.gz	GGFHTIBAVKPSRH-LURJTMIESA-N	-2	0	334.379	-0.762	20	0		EBADRL
COc1cccc(OC)c1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000275342940	295311171	/nfs/dbraw/zinc/31/11/71/295311171.db2.gz	VJPKUFJGJZYEDG-ZETCQYMHSA-N	-2	0	333.318	-0.090	20	0		EBADRL
CN(C)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000684562180	546372671	/nfs/dbraw/zinc/37/26/71/546372671.db2.gz	PVNJJWLSNYISJU-LLVKDONJSA-N	-2	0	330.362	-0.295	20	0		EBADRL
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C(=O)[O-])c1	ZINC000737714870	582685868	/nfs/dbraw/zinc/68/58/68/582685868.db2.gz	YFDHSKCAAQIJFZ-UWVGGRQHSA-N	-2	0	327.314	-0.001	20	0		EBADRL
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000738225443	582824921	/nfs/dbraw/zinc/82/49/21/582824921.db2.gz	ZIDNADJPCBHFEJ-IONNQARKSA-N	-2	0	334.325	-0.946	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)[O-]	ZINC000731049135	582834098	/nfs/dbraw/zinc/83/40/98/582834098.db2.gz	MPEFPQUXGVPOHN-QMMMGPOBSA-N	-2	0	347.301	-0.615	20	0		EBADRL
CC(C)[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1	ZINC000736376505	582932174	/nfs/dbraw/zinc/93/21/74/582932174.db2.gz	VKYXEAVBMDIJIC-VIFPVBQESA-N	-2	0	346.365	-0.779	20	0		EBADRL
CC(C)CN1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1=O	ZINC000736432388	582933797	/nfs/dbraw/zinc/93/37/97/582933797.db2.gz	MJLNFGDSONWBDX-JTQLQIEISA-N	-2	0	334.394	-0.198	20	0		EBADRL
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC000738481820	583052970	/nfs/dbraw/zinc/05/29/70/583052970.db2.gz	KLRULRUUBVQULB-GFCCVEGCSA-N	-2	0	341.327	-0.117	20	0		EBADRL
Cn1[n-]c(Br)c2c(=NCCNC(=O)C(=O)[O-])ncnc1-2	ZINC000765033105	583277537	/nfs/dbraw/zinc/27/75/37/583277537.db2.gz	VXWLKRCZZHIILX-UHFFFAOYSA-N	-2	0	343.141	-0.888	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)OC2)C(=O)[O-]	ZINC000776443707	583404573	/nfs/dbraw/zinc/40/45/73/583404573.db2.gz	IPZWDWXQXWCWBQ-VIFPVBQESA-N	-2	0	329.286	-0.437	20	0		EBADRL
O=C(CSc1n[n-]c(=S)s1)N1CCN2C(=O)NC(=O)[C@@H]2C1	ZINC000778852802	583427577	/nfs/dbraw/zinc/42/75/77/583427577.db2.gz	KOGJENHZRPZCNH-YFKPBYRVSA-N	-2	0	345.431	-0.319	20	0		EBADRL
Cn1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1	ZINC000781969564	583463956	/nfs/dbraw/zinc/46/39/56/583463956.db2.gz	KWIKCNSJZOVOCL-UHFFFAOYSA-N	-2	0	333.276	-0.335	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])cc1	ZINC000820641607	583776879	/nfs/dbraw/zinc/77/68/79/583776879.db2.gz	VAECGBYPMOZZRU-UHFFFAOYSA-N	-2	0	346.386	-0.331	20	0		EBADRL
CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000826919759	583912191	/nfs/dbraw/zinc/91/21/91/583912191.db2.gz	BHMUWLOPUKAUPR-JTQLQIEISA-N	-2	0	349.409	-0.119	20	0		EBADRL
C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000827303494	583918649	/nfs/dbraw/zinc/91/86/49/583918649.db2.gz	GCJDSPAJZJVJNW-MRVPVSSYSA-N	-2	0	340.357	-0.112	20	0		EBADRL
CN1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)CC1=O	ZINC000828459728	583939702	/nfs/dbraw/zinc/93/97/02/583939702.db2.gz	MMHLUYCBAZDUPA-RKDXNWHRSA-N	-2	0	333.366	-0.947	20	0		EBADRL
CNC(=O)C1(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)CCC1	ZINC000828526512	583941702	/nfs/dbraw/zinc/94/17/02/583941702.db2.gz	PMYCAMICKMEDIJ-QMMMGPOBSA-N	-2	0	333.366	-0.899	20	0		EBADRL
CC[C@@](C)(CC(=O)[O-])NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1	ZINC000828628944	583943676	/nfs/dbraw/zinc/94/36/76/583943676.db2.gz	WDDZHJCHSRUORO-ZDUSSCGKSA-N	-2	0	346.409	-0.234	20	0		EBADRL
Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H]2CN(C(=O)[O-])CCO2)c1	ZINC000830612157	583968562	/nfs/dbraw/zinc/96/85/62/583968562.db2.gz	VOFKTIMKDXTIEK-VIFPVBQESA-N	-2	0	329.334	-0.426	20	0		EBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1	ZINC000831001145	583974058	/nfs/dbraw/zinc/97/40/58/583974058.db2.gz	XQKHOLFKDODHEE-UHFFFAOYSA-N	-2	0	339.333	-0.477	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])cn1	ZINC000831013818	583974270	/nfs/dbraw/zinc/97/42/70/583974270.db2.gz	AQAYRVSZKCJYCY-SECBINFHSA-N	-2	0	346.365	-0.616	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CSCCN2C(=O)[O-])cn1	ZINC000831014398	583974493	/nfs/dbraw/zinc/97/44/93/583974493.db2.gz	UCQOFXKZCFXRED-MRVPVSSYSA-N	-2	0	348.406	-0.290	20	0		EBADRL
COC(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cn1C	ZINC000831326944	583981555	/nfs/dbraw/zinc/98/15/55/583981555.db2.gz	CPEAZFUQNPEUEN-UHFFFAOYSA-N	-2	0	342.333	-0.106	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c[nH]1	ZINC000831353088	583981876	/nfs/dbraw/zinc/98/18/76/583981876.db2.gz	AZKOENLPIGEXSL-UHFFFAOYSA-N	-2	0	328.306	-0.117	20	0		EBADRL
C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)CCO1	ZINC000833590333	584012121	/nfs/dbraw/zinc/01/21/21/584012121.db2.gz	POBZSVBYBOIMTF-KOLCDFICSA-N	-2	0	334.394	-0.041	20	0		EBADRL
COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)N[C@H](C)C(=O)[O-])c1	ZINC000833714663	584015336	/nfs/dbraw/zinc/01/53/36/584015336.db2.gz	JLEWMYFXCYRLGW-ZCFIWIBFSA-N	-2	0	331.302	-0.077	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CC12CCN(C(=O)[O-])CC2	ZINC000833883770	584018764	/nfs/dbraw/zinc/01/87/64/584018764.db2.gz	SBVWAARAHNKNTH-SNVBAGLBSA-N	-2	0	349.409	-0.294	20	0		EBADRL
O=C([O-])N1CCN(C(=O)[C@@H]2CCCN(Cc3n[nH]c(=O)[n-]3)C2)CC1	ZINC000834114557	584026513	/nfs/dbraw/zinc/02/65/13/584026513.db2.gz	DBGWQEUHDFVGTN-SNVBAGLBSA-N	-2	0	338.368	-0.456	20	0		EBADRL
O=C([O-])N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1	ZINC000834134365	584026811	/nfs/dbraw/zinc/02/68/11/584026811.db2.gz	ISCAZDRBSRPVOH-RNFRBKRXSA-N	-2	0	330.309	-0.240	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O	ZINC000846497677	584127038	/nfs/dbraw/zinc/12/70/38/584127038.db2.gz	WUWNJLBLQGWIPJ-UHFFFAOYSA-N	-2	0	333.341	-0.005	20	0		EBADRL
CCS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-]	ZINC000849230320	584167080	/nfs/dbraw/zinc/16/70/80/584167080.db2.gz	AYDPWHGVSONZMF-NKWVEPMBSA-N	-2	0	332.300	-0.068	20	0		EBADRL
CCNS(=O)(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-]	ZINC000849233062	584167206	/nfs/dbraw/zinc/16/72/06/584167206.db2.gz	WGDHZMZPUDWRIN-BQBZGAKWSA-N	-2	0	347.315	-0.563	20	0		EBADRL
Cn1nnc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])n1	ZINC000852732332	584215056	/nfs/dbraw/zinc/21/50/56/584215056.db2.gz	BAAAFHFGXYBDMS-SVRRBLITSA-N	-2	0	336.274	-0.694	20	0		EBADRL
CN1C(=O)CN([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)C1=O	ZINC000860528000	584317643	/nfs/dbraw/zinc/31/76/43/584317643.db2.gz	ZONSSQZIKWZMDH-UHFFFAOYSA-N	-2	0	348.237	-0.003	20	0		EBADRL
COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(OCC(=O)[O-])cc1	ZINC000863959121	584381500	/nfs/dbraw/zinc/38/15/00/584381500.db2.gz	UHLMVQJPFZOKGA-QMMMGPOBSA-N	-2	0	345.329	-0.229	20	0		EBADRL
NC(=O)c1ccccc1CS(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	ZINC000863961710	584381727	/nfs/dbraw/zinc/38/17/27/584381727.db2.gz	AGQGGSUMQBQJGL-UHFFFAOYSA-N	-2	0	340.357	-0.014	20	0		EBADRL
COCC1(S(=O)(=O)[N-]C(=O)C2(CC(=O)[O-])CCOCC2)CC1	ZINC000863962431	584381775	/nfs/dbraw/zinc/38/17/75/584381775.db2.gz	LEOXQOGMRYJUHA-UHFFFAOYSA-N	-2	0	335.378	-0.117	20	0		EBADRL
CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)C(COC)COC	ZINC000863964324	584381847	/nfs/dbraw/zinc/38/18/47/584381847.db2.gz	HTJJCJLMUIOXBD-UHFFFAOYSA-N	-2	0	325.383	-0.015	20	0		EBADRL
COC[C@@H](CS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1)OC	ZINC000863964553	584382123	/nfs/dbraw/zinc/38/21/23/584382123.db2.gz	LTGGXDLFBGXWFZ-WDEREUQCSA-N	-2	0	337.394	-0.015	20	0		EBADRL
NC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1	ZINC000739169713	599729120	/nfs/dbraw/zinc/72/91/20/599729120.db2.gz	KVRWXYGPSOXVBQ-ZJUUUORDSA-N	-2	0	341.345	-0.620	20	0		EBADRL
Cc1cc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])ccc1N1CCNC1=O	ZINC000738332889	600179212	/nfs/dbraw/zinc/17/92/12/600179212.db2.gz	QBIHXHKRZLKACY-UHFFFAOYSA-N	-2	0	341.345	-0.331	20	0		EBADRL
Cc1cccc2c(=O)n(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])cnc12	ZINC000738748323	600179254	/nfs/dbraw/zinc/17/92/54/600179254.db2.gz	SMMOQBMAHFRAPH-UHFFFAOYSA-N	-2	0	339.329	-0.764	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cnnn2)cc1	ZINC000739691902	600461594	/nfs/dbraw/zinc/46/15/94/600461594.db2.gz	KLPACAVHPPTIJJ-UHFFFAOYSA-N	-2	0	339.333	-0.413	20	0		EBADRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OCC(=O)N2	ZINC000739692665	600463710	/nfs/dbraw/zinc/46/37/10/600463710.db2.gz	TVZBIAUCTWZYKI-UHFFFAOYSA-N	-2	0	342.329	-0.058	20	0		EBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1	ZINC000314465868	600676211	/nfs/dbraw/zinc/67/62/11/600676211.db2.gz	MHECKUSCGKCLTF-UHFFFAOYSA-N	-2	0	327.322	-0.544	20	0		EBADRL
O=C([O-])N1CCN(c2ccc(NC(=O)c3cc(=O)[nH][n-]3)nc2)CC1	ZINC000740730877	602591081	/nfs/dbraw/zinc/59/10/81/602591081.db2.gz	SPOKTZJBDDNXAN-UHFFFAOYSA-N	-2	0	332.320	-0.304	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)COCCNC(=O)[O-])s1	ZINC000739994622	602662310	/nfs/dbraw/zinc/66/23/10/602662310.db2.gz	HQRLEPFYYVWIQK-UHFFFAOYSA-N	-2	0	339.355	-0.868	20	0		EBADRL
NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCN(C(=O)[O-])C2)s1	ZINC000740335415	602964568	/nfs/dbraw/zinc/96/45/68/602964568.db2.gz	AJUIBVIDDNPPGL-LURJTMIESA-N	-2	0	347.374	-0.348	20	0		EBADRL
COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)cn1	ZINC000650417747	650029475	/nfs/dbraw/zinc/02/94/75/650029475.db2.gz	YKSUATIDTRKHEY-NXEZZACHSA-N	-2	0	344.345	-0.114	20	0		EBADRL
COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1	ZINC000912530312	650206401	/nfs/dbraw/zinc/20/64/01/650206401.db2.gz	DPYZZQMSYCCKJZ-UHFFFAOYSA-N	-2	0	329.294	-0.571	20	0		EBADRL
CN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001044181692	733321654	/nfs/dbraw/zinc/32/16/54/733321654.db2.gz	GTLKSFCGZKSURG-UHFFFAOYSA-N	-2	0	345.319	-0.292	20	0		EBADRL
CCOC(=O)CS(=O)(=O)[N-]c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000390582876	803776030	/nfs/dbraw/zinc/77/60/30/803776030.db2.gz	DYYICUWSRPCWKU-UHFFFAOYSA-N	-2	0	344.345	-0.194	20	0		EBADRL
Cc1n[nH]c(C(=O)NC[C@@H]2[C@H]3CN(Cc4n[nH]c(=O)[n-]4)C[C@H]32)c1[O-]	ZINC000978088186	804654478	/nfs/dbraw/zinc/65/44/78/804654478.db2.gz	YYCPVEIBOOLHNT-PSVAKVPMSA-N	-2	0	333.352	-0.645	20	0		EBADRL
NNCc1cc(Cl)ccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001218418288	810490312	/nfs/dbraw/zinc/49/03/12/810490312.db2.gz	QHRWOKDSROADOT-GZMMTYOYSA-N	-2	0	346.723	-0.255	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])o1	ZINC001222785389	811660952	/nfs/dbraw/zinc/66/09/52/811660952.db2.gz	MQBRFBKPURNXED-XCBNKYQSSA-N	-2	0	330.245	-0.354	20	0		EBADRL
NC(=O)c1cccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001222959436	811673985	/nfs/dbraw/zinc/67/39/85/811673985.db2.gz	ADHHWBCCXJBHPN-KOLCDFICSA-N	-2	0	325.273	-0.635	20	0		EBADRL
COC(=O)[C@H](OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1ccccc1	ZINC001223072976	811681200	/nfs/dbraw/zinc/68/12/00/811681200.db2.gz	QWAWFUGTPXCRQS-MVWJERBFSA-N	-2	0	340.284	-0.020	20	0		EBADRL
COC(=O)[C@@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1ccccc1	ZINC001223072953	811681212	/nfs/dbraw/zinc/68/12/12/811681212.db2.gz	QRVJGNRYXJYLQY-ZJUUUORDSA-N	-2	0	334.217	-0.086	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cn1	ZINC001223533792	811714190	/nfs/dbraw/zinc/71/41/90/811714190.db2.gz	VRSXVFYKTIHVMR-LDYMZIIASA-N	-2	0	341.272	-0.552	20	0		EBADRL
COc1cc(OC)nc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001223762103	811728736	/nfs/dbraw/zinc/72/87/36/811728736.db2.gz	FXPUFRYIMCJQBQ-KSBSHMNSSA-N	-2	0	344.276	-0.927	20	0		EBADRL
O=C(OCc1nc(-c2ccncc2)no1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224246650	811750829	/nfs/dbraw/zinc/75/08/29/811750829.db2.gz	GBKBZXXTOKTWRA-MRVPVSSYSA-N	-2	0	345.204	-0.355	20	0		EBADRL
CCOC(=O)/C=C(/COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])OCC	ZINC001225029630	811788776	/nfs/dbraw/zinc/78/87/76/811788776.db2.gz	UYYAMUYBQZXJNV-ZJNIQKCRSA-N	-2	0	348.304	-0.451	20	0		EBADRL
COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001225766697	811828752	/nfs/dbraw/zinc/82/87/52/811828752.db2.gz	VEZWCBQKWWFVRX-XCBNKYQSSA-N	-2	0	327.245	-0.690	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001226226773	811853639	/nfs/dbraw/zinc/85/36/39/811853639.db2.gz	RPNHIFGIYWHELK-SCSAIBSYSA-N	-2	0	334.143	-0.186	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=S)nc2c1CCC2)[C@@H](O)C(=O)[O-]	ZINC001226299963	811859221	/nfs/dbraw/zinc/85/92/21/811859221.db2.gz	JXMRTMSGNKTQPE-HZGVNTEJSA-N	-2	0	342.329	-0.304	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1[nH]c(=S)nc2c1CCC2)[C@@H](O)C(=O)[O-]	ZINC001226299964	811860132	/nfs/dbraw/zinc/86/01/32/811860132.db2.gz	JXMRTMSGNKTQPE-IMTBSYHQSA-N	-2	0	342.329	-0.304	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001226699209	811880001	/nfs/dbraw/zinc/88/00/01/811880001.db2.gz	OXBXMKAJAFQPLV-GZMMTYOYSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nc2ncnc-2c(S)[n-]1)[C@H](O)C(=O)[O-]	ZINC001226785087	811884130	/nfs/dbraw/zinc/88/41/30/811884130.db2.gz	JMWVUJKUNTYTLW-CVYQJGLWSA-N	-3	0	342.289	-0.917	20	0		EBADRL
COC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001226935091	811891728	/nfs/dbraw/zinc/89/17/28/811891728.db2.gz	QSZZYGDAXCDLAW-GWCFXTLKSA-N	-2	0	340.284	-0.156	20	0		EBADRL
COC(=O)c1ccc(O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001227827274	811944075	/nfs/dbraw/zinc/94/40/75/811944075.db2.gz	YXWOFUSUSINTSV-ANLVUFKYSA-N	-2	0	343.244	-0.984	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)CCNC2=O)[C@H](O)C(=O)[O-]	ZINC001227917342	811949292	/nfs/dbraw/zinc/94/92/92/811949292.db2.gz	BAJKOZJOVXHGED-JQWIXIFHSA-N	-2	0	337.284	-0.586	20	0		EBADRL
CCOC(=O)c1cnoc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228718960	811995241	/nfs/dbraw/zinc/99/52/41/811995241.db2.gz	OSQJOMJGUVMVIV-ZCFIWIBFSA-N	-2	0	325.166	-0.773	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2cccnc21)[C@H](O)C(=O)[O-]	ZINC001229501668	812037125	/nfs/dbraw/zinc/03/71/25/812037125.db2.gz	KBBKZYPJVUEKMJ-INWYIAFRSA-N	-2	0	336.256	-0.223	20	0		EBADRL
COCC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001229740518	812053644	/nfs/dbraw/zinc/05/36/44/812053644.db2.gz	IBTRHVQWAWXBRN-GWCFXTLKSA-N	-2	0	340.284	-0.043	20	0		EBADRL
COC(=O)Cc1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001229755535	812054391	/nfs/dbraw/zinc/05/43/91/812054391.db2.gz	XDRWWVGVPSAVDA-GWCFXTLKSA-N	-2	0	340.284	-0.156	20	0		EBADRL
COc1cnc(SC)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001230033954	812070472	/nfs/dbraw/zinc/07/04/72/812070472.db2.gz	GCMSERQMYSOQSU-RXMQYKEDSA-N	-2	0	340.250	-0.417	20	0		EBADRL
C[C@@H](CON)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-]	ZINC001230145306	812079949	/nfs/dbraw/zinc/07/99/49/812079949.db2.gz	XYUSUPRXDSQMMA-YFKPBYRVSA-N	-2	0	343.335	-0.457	20	0		EBADRL
O=S(=O)([O-])c1cc(O)c(OC2COC2)c(S(=O)(=O)[O-])c1	ZINC001230146353	812080369	/nfs/dbraw/zinc/08/03/69/812080369.db2.gz	KTSZQOQXRFQCBQ-UHFFFAOYSA-N	-2	0	326.304	-0.337	20	0		EBADRL
CNC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001233983693	812372579	/nfs/dbraw/zinc/37/25/79/812372579.db2.gz	XZGFLMWMPLZIGC-GXSJLCMTSA-N	-2	0	325.273	-0.512	20	0		EBADRL
COC(=O)c1n[n-]c(C(=O)OC)c1OC(=O)[C@H](O)CCC(=O)[O-]	ZINC001234190328	812394726	/nfs/dbraw/zinc/39/47/26/812394726.db2.gz	SDTIIUHELQFUFL-RXMQYKEDSA-N	-2	0	330.249	-0.886	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1	ZINC001234649574	812446399	/nfs/dbraw/zinc/44/63/99/812446399.db2.gz	QBLSEZQKZNGIOF-LDYMZIIASA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nccc(-c2ccncc2)n1)[C@H](O)C(=O)[O-]	ZINC001234674484	812447840	/nfs/dbraw/zinc/44/78/40/812447840.db2.gz	KXPWXNLKXUSEEJ-SKDRFNHKSA-N	-2	0	347.283	-0.020	20	0		EBADRL
CC(=O)c1c(O)cc(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001234666834	812447918	/nfs/dbraw/zinc/44/79/18/812447918.db2.gz	CIQYTWHJVMRLRD-WRWORJQWSA-N	-2	0	341.272	-0.260	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(C(F)(F)F)[nH]n1)[C@H](O)C(=O)[O-]	ZINC001234858989	812448147	/nfs/dbraw/zinc/44/81/47/812448147.db2.gz	NVZILPBRHMAWBV-NFNCENRGSA-N	-2	0	326.183	-0.130	20	0		EBADRL
O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC001185621342	833363611	/nfs/dbraw/zinc/36/36/11/833363611.db2.gz	WOPQISBRIOZVMM-UHFFFAOYSA-N	-2	0	349.265	-0.746	20	0		EBADRL
CC(=O)[N-]S(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])nc1	ZINC001157796075	831593756	/nfs/dbraw/zinc/59/37/56/831593756.db2.gz	VEHWOLNPNMXQJE-UHFFFAOYSA-N	-3	0	339.266	-0.572	20	0		EBADRL
CSCC[C@H](NC(=O)c1c[n-]n2c1nccc2=O)c1nnn[n-]1	ZINC001167445003	832340369	/nfs/dbraw/zinc/34/03/69/832340369.db2.gz	QVPVTJVDTJXBOA-QMMMGPOBSA-N	-2	0	334.365	-0.240	20	0		EBADRL
O=C(NCCNc1ccc(P(=O)([O-])[O-])cc1)N1CCOCC1	ZINC001167895914	832382588	/nfs/dbraw/zinc/38/25/88/832382588.db2.gz	WSKJMSJNXVPJHS-UHFFFAOYSA-N	-2	0	329.293	-0.057	20	0		EBADRL
O=C(CCCNC(=O)c1cccnc1)NCCOP(=O)([O-])[O-]	ZINC001176893088	832702667	/nfs/dbraw/zinc/70/26/67/832702667.db2.gz	VIWFMPVMZHMBEI-UHFFFAOYSA-N	-2	0	331.265	-0.183	20	0		EBADRL
COC(=O)CCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O	ZINC001188388970	834042470	/nfs/dbraw/zinc/04/24/70/834042470.db2.gz	MWJDIRNCGRQCGU-UHFFFAOYSA-N	-2	0	348.358	-0.577	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cnc(N2CCOCC2)nc1	ZINC001189395930	834150054	/nfs/dbraw/zinc/15/00/54/834150054.db2.gz	WISRFZBNOKAVBW-UHFFFAOYSA-N	-2	0	332.253	-0.848	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCC(=O)CCO)cc(S(=O)(=O)[O-])c1	ZINC001189933420	834210809	/nfs/dbraw/zinc/21/08/09/834210809.db2.gz	KCLVTVSAIDOGTG-UHFFFAOYSA-N	-2	0	331.302	-0.687	20	0		EBADRL
O=C([O-])c1cc(C(=O)NC2=CCOC2=O)cc(S(=O)(=O)[O-])c1	ZINC001189941180	834211975	/nfs/dbraw/zinc/21/19/75/834211975.db2.gz	CMIVCGGCEHSNFJ-UHFFFAOYSA-N	-2	0	327.270	-0.198	20	0		EBADRL
NS(=O)(=O)c1cc(C(=O)NCc2nnn[n-]2)c([O-])cc1Cl	ZINC001191046776	834404032	/nfs/dbraw/zinc/40/40/32/834404032.db2.gz	YSJGADGOWPSIJE-UHFFFAOYSA-N	-2	0	332.729	-0.864	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1nc(Br)c[nH]c1=O	ZINC001196505262	835425085	/nfs/dbraw/zinc/42/50/85/835425085.db2.gz	IVPNEOADSNKIKC-UHFFFAOYSA-N	-2	0	342.042	-0.216	20	0		EBADRL
CN1CCN(c2cnccc2C(=O)NCCOP(=O)([O-])[O-])CC1	ZINC001198153856	835647962	/nfs/dbraw/zinc/64/79/62/835647962.db2.gz	VEQRMFMLYMXIEJ-UHFFFAOYSA-N	-2	0	344.308	-0.328	20	0		EBADRL
Cn1c2ccc(C(=O)NCCOP(=O)([O-])[O-])cc2n(C)c1=O	ZINC001198510687	835690395	/nfs/dbraw/zinc/69/03/95/835690395.db2.gz	DRFYRQZDUIIXIJ-UHFFFAOYSA-N	-2	0	329.249	-0.284	20	0		EBADRL
Cn1cnc2cc(C(=O)NCCOP(=O)([O-])[O-])ccc2c1=O	ZINC001201345040	836131910	/nfs/dbraw/zinc/13/19/10/836131910.db2.gz	SPTZPJUAZSRGKY-UHFFFAOYSA-N	-2	0	327.233	-0.227	20	0		EBADRL
COc1ccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001204807243	836530738	/nfs/dbraw/zinc/53/07/38/836530738.db2.gz	ZZDLIPZLZBQFNA-GXFFZTMASA-N	-2	0	340.284	-0.043	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)[N-]OCc1ccccc1OC	ZINC001329869491	841048075	/nfs/dbraw/zinc/04/80/75/841048075.db2.gz	YAMPTSLTNCYBDP-UHFFFAOYSA-N	-2	0	325.321	-0.573	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)CC1	ZINC001331820455	841510955	/nfs/dbraw/zinc/51/09/55/841510955.db2.gz	ZUHBYFQVALQQPO-NSHDSACASA-N	-2	0	334.394	-0.200	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NC[C@@](C)(O)C(=O)[O-])c1	ZINC001610904691	970783961	/nfs/dbraw/zinc/78/39/61/970783961.db2.gz	VZRKUDLXYNOAJB-CYBMUJFWSA-N	-2	0	346.361	-0.792	20	0		EBADRL
Cn1cc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)c(C(N)=O)n1	ZINC001570927651	948715597	/nfs/dbraw/zinc/71/55/97/948715597.db2.gz	WFUDOEAWTWKLJJ-UHFFFAOYSA-N	-2	0	328.292	-0.343	20	0		EBADRL
C[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1	ZINC001602806712	971592068	/nfs/dbraw/zinc/59/20/68/971592068.db2.gz	UAEBRCYGOCCXKZ-ZETCQYMHSA-N	-2	0	325.306	-0.812	20	0		EBADRL
O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1	ZINC001595168272	952212957	/nfs/dbraw/zinc/21/29/57/952212957.db2.gz	AOGIUAMHABUVHA-IUCAKERBSA-N	-2	0	345.381	-0.517	20	0		EBADRL
O=C(COC1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001594701558	956805652	/nfs/dbraw/zinc/80/56/52/956805652.db2.gz	KAQBPGWBSWKNCF-UHFFFAOYSA-N	-2	0	334.306	-0.627	20	0		EBADRL
COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cn1	ZINC001594078715	958245065	/nfs/dbraw/zinc/24/50/65/958245065.db2.gz	OLCNSFDLQBOFAP-UHFFFAOYSA-N	-2	0	327.274	-0.105	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(OCC(=O)[O-])cc1	ZINC001594169897	958982851	/nfs/dbraw/zinc/98/28/51/958982851.db2.gz	CRFNTKHGDMARFN-UHFFFAOYSA-N	-2	0	344.345	-0.654	20	0		EBADRL
O=C([O-])[C@H]1CC(C(=O)NCCc2nc(=O)o[n-]2)=NN1c1ccccc1	ZINC001605792627	972503146	/nfs/dbraw/zinc/50/31/46/972503146.db2.gz	GWSWFPIZQABTTE-LLVKDONJSA-N	-2	0	345.315	-0.259	20	0		EBADRL
O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](CC1CCOCC1)C(=O)[O-]	ZINC001571190607	962244854	/nfs/dbraw/zinc/24/48/54/962244854.db2.gz	KSGDTTYHFCXLEP-MRVPVSSYSA-N	-2	0	330.366	-0.012	20	0		EBADRL
CC(C)Cn1[n-]c(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cc1=O	ZINC001588906492	962285345	/nfs/dbraw/zinc/28/53/45/962285345.db2.gz	LIJQKXKAQZSSPH-UHFFFAOYSA-N	-2	0	338.364	-0.870	20	0		EBADRL
C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)[C@H]2CC(C(=O)[O-])=NO2)C1	ZINC001603346066	972746103	/nfs/dbraw/zinc/74/61/03/972746103.db2.gz	DGXZTPBGMXYUGC-RDDDGLTNSA-N	-2	0	337.254	-0.115	20	0		EBADRL
Cn1cnc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1	ZINC001605519415	973700473	/nfs/dbraw/zinc/70/04/73/973700473.db2.gz	HJBGYTVCTYIGQV-RNFRBKRXSA-N	-2	0	349.269	-0.449	20	0		EBADRL
C[C@H](CC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)n1ccnc1	ZINC001592258406	977496039	/nfs/dbraw/zinc/49/60/39/977496039.db2.gz	FLEQJTDRGXMDLV-SNVBAGLBSA-N	-2	0	344.393	-0.008	20	0		EBADRL
C[C@H](Cc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1)C(=O)[O-]	ZINC001592858107	979668841	/nfs/dbraw/zinc/66/88/41/979668841.db2.gz	OJJFYJSWKKELSY-MRVPVSSYSA-N	-2	0	332.320	-0.282	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O	ZINC001595371332	980850114	/nfs/dbraw/zinc/85/01/14/980850114.db2.gz	ADGKKSIGXVZXIX-LLVKDONJSA-N	-2	0	331.306	-0.108	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1=O	ZINC001595371555	980852552	/nfs/dbraw/zinc/85/25/52/980852552.db2.gz	HPEITFJXORUBAK-LBPRGKRZSA-N	-2	0	342.333	-0.306	20	0		EBADRL
CC[C@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1=O	ZINC001595371850	980855515	/nfs/dbraw/zinc/85/55/15/980855515.db2.gz	PVLRABDJMDKDCX-LBPRGKRZSA-N	-2	0	344.349	-0.363	20	0		EBADRL
CCCCC(=O)N1CSC[C@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001595626839	981765859	/nfs/dbraw/zinc/76/58/59/981765859.db2.gz	CMQXDXGWXAVVIQ-QMMMGPOBSA-N	-2	0	338.407	-0.391	20	0		EBADRL
CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1	ZINC001596647160	984663274	/nfs/dbraw/zinc/66/32/74/984663274.db2.gz	UBTSDCCQCXTKKY-ZETCQYMHSA-N	-2	0	333.322	-0.118	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)Nc1cc(OC)ccc1C(=O)[O-]	ZINC001596967684	986178568	/nfs/dbraw/zinc/17/85/68/986178568.db2.gz	BUYQYHZKUMOMRH-UHFFFAOYSA-N	-2	0	339.304	-0.484	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H](C)n1nnnc1C(C)(C)C	ZINC001589424035	986686320	/nfs/dbraw/zinc/68/63/20/986686320.db2.gz	QOYQLNRDYYWNPP-NKWVEPMBSA-N	-2	0	333.370	-0.549	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCN1C(=O)CCC1=O	ZINC001589450675	986840526	/nfs/dbraw/zinc/84/05/26/986840526.db2.gz	DZOHWKLMFDGMAE-HTQZYQBOSA-N	-2	0	334.350	-0.919	20	0		EBADRL
C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cc1nnn(C(C)(C)C)n1	ZINC001589450436	986840781	/nfs/dbraw/zinc/84/07/81/986840781.db2.gz	DAWPDIITOBUICR-YUMQZZPRSA-N	-2	0	347.397	-0.474	20	0		EBADRL
C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnn2ccncc12	ZINC001589452802	986852144	/nfs/dbraw/zinc/85/21/44/986852144.db2.gz	ATQXMVPFMIZKML-JGVFFNPUSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1	ZINC001589453656	986865285	/nfs/dbraw/zinc/86/52/85/986865285.db2.gz	HOXCRTXNKRDTQX-RQJHMYQMSA-N	-3	0	330.318	-0.051	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCn1ccccc1=O	ZINC001589454676	986883141	/nfs/dbraw/zinc/88/31/41/986883141.db2.gz	XFFQUPIFPHXIKI-NXEZZACHSA-N	-2	0	330.362	-0.206	20	0		EBADRL
C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1	ZINC001589455377	986895032	/nfs/dbraw/zinc/89/50/32/986895032.db2.gz	ZEVRRUNAZVWACN-HTQZYQBOSA-N	-2	0	328.346	-0.046	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CSc1nnnn1C1CC1	ZINC001589490670	987055684	/nfs/dbraw/zinc/05/56/84/987055684.db2.gz	DCWIBKYTWDLXOK-YFKPBYRVSA-N	-2	0	335.367	-0.981	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(=O)N(C)C2=O	ZINC001589491827	987060508	/nfs/dbraw/zinc/06/05/08/987060508.db2.gz	NNIDHBSYIYXGHX-LURJTMIESA-N	-2	0	340.313	-0.555	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC001589493590	987069020	/nfs/dbraw/zinc/06/90/20/987069020.db2.gz	DHSZLHLGHIWURY-PBXRRBTRSA-N	-2	0	346.283	-0.637	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@]1(C2CCCC2)CCNC1=O	ZINC001589494038	987069496	/nfs/dbraw/zinc/06/94/96/987069496.db2.gz	HXKJDONMXIQSHR-OQPBUACISA-N	-2	0	332.378	-0.398	20	0		EBADRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC001589495578	987074357	/nfs/dbraw/zinc/07/43/57/987074357.db2.gz	PBUFGGWBANUISW-QMMMGPOBSA-N	-2	0	341.407	-0.347	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1(NC(=O)OC(C)(C)C)CC1	ZINC001589495939	987075943	/nfs/dbraw/zinc/07/59/43/987075943.db2.gz	SXSQADVBCNGPGS-SSDOTTSWSA-N	-2	0	336.366	-0.037	20	0		EBADRL
CCn1cc(S(=O)(=O)[N-]C(=O)Cn2cc(C(=O)[O-])cn2)cn1	ZINC001597898312	989766766	/nfs/dbraw/zinc/76/67/66/989766766.db2.gz	UKJSJZAUVKJBMA-UHFFFAOYSA-N	-2	0	327.322	-0.697	20	0		EBADRL
COc1cccc(S([O-])=CC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c1	ZINC001599683766	990952926	/nfs/dbraw/zinc/95/29/26/990952926.db2.gz	YKUGBHUUPIZQLQ-SYSCSRKKSA-N	-2	0	327.358	-0.151	20	0		EBADRL
CN(C)c1noc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])n1	ZINC001598364595	991507798	/nfs/dbraw/zinc/50/77/98/991507798.db2.gz	MEFIEXOGOYZSBI-UHFFFAOYSA-N	-2	0	333.351	-0.231	20	0		EBADRL
C[S@@](=O)(=NS(=O)(=O)[N-]C[C@H](O)CC(=O)[O-])c1ccccc1	ZINC001599743587	991896535	/nfs/dbraw/zinc/89/65/35/991896535.db2.gz	IFOISMIIAMOXJA-YBYGRFCBSA-N	-2	0	336.391	-0.187	20	0		EBADRL
C[S@](=O)(=NS(=O)(=O)[N-]C[C@H](O)C(=O)[O-])C1CCCCC1	ZINC001599744497	991910216	/nfs/dbraw/zinc/91/02/16/991910216.db2.gz	ZUNKSCWJBZBATF-ZRNGKTOUSA-N	-2	0	328.412	-0.303	20	0		EBADRL
C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-]	ZINC001593176341	994055240	/nfs/dbraw/zinc/05/52/40/994055240.db2.gz	TZFTUOHBEBCVLW-IUCAKERBSA-N	-2	0	328.346	-0.276	20	0		EBADRL
C[C@@H](NC(=O)c1ccoc1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001593181151	994068834	/nfs/dbraw/zinc/06/88/34/994068834.db2.gz	HYCXYNQQXCUSTP-MRVPVSSYSA-N	-2	0	346.361	-0.045	20	0		EBADRL
CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cn1	ZINC001598656732	994534366	/nfs/dbraw/zinc/53/43/66/994534366.db2.gz	RMGYQHXBVNDMGY-SFYZADRCSA-N	-2	0	343.361	-0.390	20	0		EBADRL
CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1	ZINC001598659016	994567606	/nfs/dbraw/zinc/56/76/06/994567606.db2.gz	KOUXLMJQRZOSJD-UHFFFAOYSA-N	-2	0	343.361	-0.388	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC2)cc1	ZINC001598659770	994577380	/nfs/dbraw/zinc/57/73/80/994577380.db2.gz	VDGHZOQQRJMSGM-UHFFFAOYSA-N	-2	0	326.330	-0.284	20	0		EBADRL
COC(=O)[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001598771690	995889319	/nfs/dbraw/zinc/88/93/19/995889319.db2.gz	RZOXFEXOIJAGPH-WCBMZHEXSA-N	-2	0	348.315	-0.499	20	0		EBADRL
COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[n-]n2c1nccc2=O	ZINC001598771695	995889446	/nfs/dbraw/zinc/88/94/46/995889446.db2.gz	RZOXFEXOIJAGPH-WPRPVWTQSA-N	-2	0	348.315	-0.499	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(=O)[O-]	ZINC001598869818	996732716	/nfs/dbraw/zinc/73/27/16/996732716.db2.gz	FKGWMSVHNVHHKJ-QMMMGPOBSA-N	-2	0	349.292	-0.182	20	0		EBADRL
COC[C@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)[O-])C(=O)[O-]	ZINC001599178088	996890916	/nfs/dbraw/zinc/89/09/16/996890916.db2.gz	JHRJTKKRTUZMMS-JTQLQIEISA-N	-2	0	347.345	-0.300	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1	ZINC001599320794	997577899	/nfs/dbraw/zinc/57/78/99/997577899.db2.gz	RFBPUTSBCUOPLL-UHFFFAOYSA-N	-2	0	326.309	-0.061	20	0		EBADRL
CO[C@H]1CCN(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](C(=O)[O-])C1	ZINC001599118368	997694295	/nfs/dbraw/zinc/69/42/95/997694295.db2.gz	YKNQNBIGDBHGLB-WCBMZHEXSA-N	-2	0	335.320	-0.838	20	0		EBADRL
CO[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@@](C)(C(=O)[O-])C1	ZINC001599136494	998053042	/nfs/dbraw/zinc/05/30/42/998053042.db2.gz	IQNBLSAMPQHVRL-AMIZOPFISA-N	-2	0	346.361	-0.024	20	0		EBADRL
CO[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[C@](C)(C(=O)[O-])C1	ZINC001599136496	998053308	/nfs/dbraw/zinc/05/33/08/998053308.db2.gz	IQNBLSAMPQHVRL-OQPBUACISA-N	-2	0	346.361	-0.024	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NCCC(=O)[O-])c(C(=O)[O-])s1	ZINC001598955017	998223458	/nfs/dbraw/zinc/22/34/58/998223458.db2.gz	VQACQAWLHKYVCB-UHFFFAOYSA-N	-2	0	337.331	-0.014	20	0		EBADRL
COC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])C(=O)[O-]	ZINC001599172022	998620943	/nfs/dbraw/zinc/62/09/43/998620943.db2.gz	SXGSLCBGFXOGDQ-JTQLQIEISA-N	-2	0	346.361	-0.528	20	0		EBADRL
COC(=O)c1cnccc1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001599010900	998897676	/nfs/dbraw/zinc/89/76/76/998897676.db2.gz	CTQHZVFUXGMEHB-UHFFFAOYSA-N	-2	0	340.317	-0.628	20	0		EBADRL
COC(=O)CCCS(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275147098	291001122	/nfs/dbraw/zinc/00/11/22/291001122.db2.gz	RBBCFKYPZHESKQ-DTWKUNHWSA-N	-2	0	337.350	-0.623	20	0		EBADRL
CCn1cnc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000387714593	377479981	/nfs/dbraw/zinc/47/99/81/377479981.db2.gz	RTKOCEGINKJGIL-RKDXNWHRSA-N	-2	0	331.350	-0.301	20	0		EBADRL
CC[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000270545721	379456703	/nfs/dbraw/zinc/45/67/03/379456703.db2.gz	YVFFYRZCYYAPNY-SSDOTTSWSA-N	-2	0	328.306	-0.423	20	0		EBADRL
CCn1cn[n-]c1=NC(=O)/C=C/C=C/C(=O)N=c1[n-]ncn1CC	ZINC000493665402	379688903	/nfs/dbraw/zinc/68/89/03/379688903.db2.gz	UTRCTWWXJKNFPC-KQQUZDAGSA-N	-2	0	330.352	-0.557	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cc1	ZINC000274952370	379726721	/nfs/dbraw/zinc/72/67/21/379726721.db2.gz	IESFPLUOULFILR-VIFPVBQESA-N	-2	0	345.329	-0.073	20	0		EBADRL
COC(=O)c1ccc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])o1	ZINC000275008065	379731316	/nfs/dbraw/zinc/73/13/16/379731316.db2.gz	PJDZCNRSCPPWBP-LURJTMIESA-N	-2	0	335.290	-0.480	20	0		EBADRL
CCN(C(=O)c1cc(=O)n(C)[n-]1)C1CN(C(=O)c2cc(=O)n(C)[n-]2)C1	ZINC000614253969	379916924	/nfs/dbraw/zinc/91/69/24/379916924.db2.gz	AAWABCZEDXZNKA-UHFFFAOYSA-N	-2	0	348.363	-0.449	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)N[C@H](CCCC(=O)[O-])C(=O)[O-]	ZINC000278790528	379933024	/nfs/dbraw/zinc/93/30/24/379933024.db2.gz	VAQGQEGWBDDOPB-HTQZYQBOSA-N	-2	0	325.339	-0.577	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)C(=O)[O-]	ZINC000547554933	380143729	/nfs/dbraw/zinc/14/37/29/380143729.db2.gz	UZWMUPXBKAURRI-SSDOTTSWSA-N	-2	0	330.274	-0.260	20	0		EBADRL
CCn1nc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c1C	ZINC000547570817	380145894	/nfs/dbraw/zinc/14/58/94/380145894.db2.gz	XPBFTEBJMUSGLV-VIFPVBQESA-N	-2	0	333.366	-0.026	20	0		EBADRL
COC(=O)Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000547875603	380166924	/nfs/dbraw/zinc/16/69/24/380166924.db2.gz	CMEPJEDUUZLLPP-UHFFFAOYSA-N	-2	0	345.329	-0.438	20	0		EBADRL
Cc1cc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)on1	ZINC000547925080	380171817	/nfs/dbraw/zinc/17/18/17/380171817.db2.gz	PHIOSOTWTUGXQR-UWVGGRQHSA-N	-2	0	332.334	-0.080	20	0		EBADRL
COC(=O)[C@H](C)CS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547934393	380172699	/nfs/dbraw/zinc/17/26/99/380172699.db2.gz	BPWOQADFJGRZKH-RDDDGLTNSA-N	-2	0	325.339	-0.720	20	0		EBADRL
CCOC(=O)CCS(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000547933329	380173004	/nfs/dbraw/zinc/17/30/04/380173004.db2.gz	UNFOTODOTFNBRM-LLVKDONJSA-N	-2	0	325.339	-0.575	20	0		EBADRL
Cn1cnc2cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])ccc21	ZINC000548221301	380191487	/nfs/dbraw/zinc/19/14/87/380191487.db2.gz	UAJYBQGGBBECIS-UHFFFAOYSA-N	-2	0	327.318	-0.267	20	0		EBADRL
COC(=O)C1(CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CCCC1	ZINC000290504481	380465203	/nfs/dbraw/zinc/46/52/03/380465203.db2.gz	HXUNADMSMXVWEK-MRVPVSSYSA-N	-2	0	337.350	-0.433	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000275102500	380569143	/nfs/dbraw/zinc/56/91/43/380569143.db2.gz	LSKZDQQCAVCHFF-VHSXEESVSA-N	-2	0	345.377	-0.167	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000275274289	380570093	/nfs/dbraw/zinc/57/00/93/380570093.db2.gz	NNOOPKZQYSJWSZ-MRVPVSSYSA-N	-2	0	333.318	-0.090	20	0		EBADRL
CNC(=O)c1ccc(CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000578327221	380920246	/nfs/dbraw/zinc/92/02/46/380920246.db2.gz	VISVZEUGIOJSNH-UHFFFAOYSA-N	-2	0	344.345	-0.653	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)s1	ZINC000578625947	380941578	/nfs/dbraw/zinc/94/15/78/380941578.db2.gz	VLCMVSXXGXGKJR-CRCLSJGQSA-N	-2	0	336.351	-0.520	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-]	ZINC000035684216	381183566	/nfs/dbraw/zinc/18/35/66/381183566.db2.gz	QJKKVGJRSLMODV-QMMMGPOBSA-N	-2	0	331.302	-0.336	20	0		EBADRL
CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cnc([O-])n(C)c2=O)C(=O)[O-])C1	ZINC000572257100	381653409	/nfs/dbraw/zinc/65/34/09/381653409.db2.gz	CFXCWUUHUPMFQH-FXPVBKGRSA-N	-2	0	339.348	-0.126	20	0		EBADRL
COCC[C@@H](NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-]	ZINC000262298696	154223298	/nfs/dbraw/zinc/22/32/98/154223298.db2.gz	NCJMRDVNLNYQNW-BDJLRTHQSA-N	-2	0	349.343	-0.039	20	0		EBADRL
COC(=O)c1csc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1	ZINC000274893331	154626283	/nfs/dbraw/zinc/62/62/83/154626283.db2.gz	GKMLLRKHOKLXNM-LURJTMIESA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cs1	ZINC000274959207	154632834	/nfs/dbraw/zinc/63/28/34/154632834.db2.gz	URWWCQNQOYMNHY-LURJTMIESA-N	-2	0	337.331	-0.259	20	0		EBADRL
COC(=O)CCS(=O)(=O)[N-]c1c(C(=O)OC)c[nH]c1C(=O)OC	ZINC000290505455	155004618	/nfs/dbraw/zinc/00/46/18/155004618.db2.gz	LDSUGHWRLLAFJD-UHFFFAOYSA-N	-2	0	348.333	-0.107	20	0		EBADRL
Cc1c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cnn1C	ZINC000291840373	155025453	/nfs/dbraw/zinc/02/54/53/155025453.db2.gz	HFZYLUNNHFEUFA-BDAKNGLRSA-N	-2	0	331.350	-0.475	20	0		EBADRL
Cc1onc(N)c1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1	ZINC000515656722	420658712	/nfs/dbraw/zinc/65/87/12/420658712.db2.gz	KOJWQBTWXHGILG-RNFRBKRXSA-N	-2	0	333.322	-0.639	20	0		EBADRL
Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000663028102	421123227	/nfs/dbraw/zinc/12/32/27/421123227.db2.gz	QMQRFMSNLSIVHJ-QMMMGPOBSA-N	-2	0	334.288	-0.330	20	0		EBADRL
CC(C)(C)n1cnc(=NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[n-]1	ZINC000424379533	265058206	/nfs/dbraw/zinc/05/82/06/265058206.db2.gz	IGLPWWMUXGNTQT-QMMMGPOBSA-N	-2	0	345.381	-0.830	20	0		EBADRL
Cc1cc(=NC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)[n-]nc1C	ZINC000424380471	265058310	/nfs/dbraw/zinc/05/83/10/265058310.db2.gz	KQWXNAQKDMXYCO-VIFPVBQESA-N	-2	0	328.350	-0.769	20	0		EBADRL
CNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2nnn[n-]2)c(C)o1	ZINC000434351471	265200462	/nfs/dbraw/zinc/20/04/62/265200462.db2.gz	BZRDEGMBPQZNIB-UHFFFAOYSA-N	-2	0	328.354	-0.326	20	0		EBADRL
COc1cccc(OC)c1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000275342936	295311182	/nfs/dbraw/zinc/31/11/82/295311182.db2.gz	VJPKUFJGJZYEDG-SSDOTTSWSA-N	-2	0	333.318	-0.090	20	0		EBADRL
Cn1ncc(Cl)c1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000227864186	545788259	/nfs/dbraw/zinc/78/82/59/545788259.db2.gz	YJPRQZITBXBKCR-ZCFIWIBFSA-N	-2	0	325.730	-0.330	20	0		EBADRL
O=C([O-])Cc1ccc(C[C@H](NS(=O)(=O)NC2CC2)C(=O)[O-])cc1	ZINC000684562316	546372681	/nfs/dbraw/zinc/37/26/81/546372681.db2.gz	UDBNOPZDXZMXBU-LBPRGKRZSA-N	-2	0	342.373	-0.104	20	0		EBADRL
C[C@H](C(=O)N(C)C)S(=O)(=O)N1CC[C@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000650417619	568587055	/nfs/dbraw/zinc/58/70/55/568587055.db2.gz	QBYQQKBVZLSZAL-PRHODGIISA-N	-2	0	336.366	-0.956	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)[O-])c1	ZINC000737360274	583006093	/nfs/dbraw/zinc/00/60/93/583006093.db2.gz	HLIILUVTNURUOO-UHFFFAOYSA-N	-2	0	343.361	-0.149	20	0		EBADRL
COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000737578633	583016952	/nfs/dbraw/zinc/01/69/52/583016952.db2.gz	PFCXTAVMJUSWFU-VHSXEESVSA-N	-2	0	327.314	-0.001	20	0		EBADRL
COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000737638236	583024068	/nfs/dbraw/zinc/02/40/68/583024068.db2.gz	IXNRAXVECNMVJR-UHFFFAOYSA-N	-2	0	336.347	-0.003	20	0		EBADRL
CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnc([O-])n(C)c1=O	ZINC000821613188	583795067	/nfs/dbraw/zinc/79/50/67/583795067.db2.gz	AYRKRJXBSDYHKC-UHFFFAOYSA-N	-2	0	341.331	-0.062	20	0		EBADRL
O=C([N-]S(=O)(=O)c1cnccn1)c1ccc(-c2nn[nH]n2)s1	ZINC000823285285	583827608	/nfs/dbraw/zinc/82/76/08/583827608.db2.gz	PEOQBWFKTSGWAX-UHFFFAOYSA-N	-2	0	337.346	-0.163	20	0		EBADRL
CC(C)(C)C(=O)NCC(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000823749408	583836701	/nfs/dbraw/zinc/83/67/01/583836701.db2.gz	XWJLCUJTLZGPFU-QMMMGPOBSA-N	-2	0	335.382	-0.653	20	0		EBADRL
CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000824366984	583844481	/nfs/dbraw/zinc/84/44/81/583844481.db2.gz	BRPKJAUYQGAMCY-SNVBAGLBSA-N	-2	0	349.409	-0.120	20	0		EBADRL
O=C([O-])c1cccc(CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1	ZINC000826425695	583901358	/nfs/dbraw/zinc/90/13/58/583901358.db2.gz	PCENOBHHZCUSQT-UHFFFAOYSA-N	-2	0	328.292	-0.527	20	0		EBADRL
O=C(c1cccc(-c2nc(=O)o[n-]2)c1)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000826833408	583911087	/nfs/dbraw/zinc/91/10/87/583911087.db2.gz	CPMMZLJCGSNBLE-SNVBAGLBSA-N	-2	0	343.303	-0.243	20	0		EBADRL
CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1	ZINC000827524797	583922671	/nfs/dbraw/zinc/92/26/71/583922671.db2.gz	SJJOBKLVJXXXKE-JTQLQIEISA-N	-2	0	343.361	-0.055	20	0		EBADRL
C[C@@H](CS(=O)(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1)C(=O)[O-]	ZINC000827571671	583923997	/nfs/dbraw/zinc/92/39/97/583923997.db2.gz	OUIFXTRQNBWCBZ-QMMMGPOBSA-N	-2	0	344.345	-0.037	20	0		EBADRL
COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1	ZINC000828670056	583944700	/nfs/dbraw/zinc/94/47/00/583944700.db2.gz	BFZDRTZQUPIBMA-BDAKNGLRSA-N	-2	0	336.366	-0.178	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000828970577	583949172	/nfs/dbraw/zinc/94/91/72/583949172.db2.gz	AUZAMVGSCCBRIE-UHFFFAOYSA-N	-2	0	335.338	-0.400	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](CC(C)C)NC(=O)[O-]	ZINC000828963980	583949223	/nfs/dbraw/zinc/94/92/23/583949223.db2.gz	IRMNESMZHCTADJ-SECBINFHSA-N	-2	0	325.387	-0.392	20	0		EBADRL
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1	ZINC000831000308	583973858	/nfs/dbraw/zinc/97/38/58/583973858.db2.gz	BAJFEBFXYIVHGK-UHFFFAOYSA-N	-2	0	343.321	-0.575	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cn1C	ZINC000831348340	583981783	/nfs/dbraw/zinc/98/17/83/583981783.db2.gz	CUPBPWMUYSKBQF-UHFFFAOYSA-N	-2	0	342.333	-0.106	20	0		EBADRL
O=C(CCN1CCCC1=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1	ZINC000831433043	583982824	/nfs/dbraw/zinc/98/28/24/583982824.db2.gz	PGOYEUPJWPUBJV-VIFPVBQESA-N	-2	0	333.366	-0.803	20	0		EBADRL
CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1	ZINC000833699959	584014134	/nfs/dbraw/zinc/01/41/34/584014134.db2.gz	FFYNUJZRQWBVPG-NXEZZACHSA-N	-2	0	326.330	-0.428	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(C(=O)[O-])no2)s1	ZINC000833737924	584015715	/nfs/dbraw/zinc/01/57/15/584015715.db2.gz	OFDCZONGPITKKX-UHFFFAOYSA-N	-3	0	333.307	-0.152	20	0		EBADRL
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)C(C)(C)NC(=O)[O-]	ZINC000833870581	584017577	/nfs/dbraw/zinc/01/75/77/584017577.db2.gz	RJDJURPNBMTZCF-UHFFFAOYSA-N	-2	0	329.353	-0.186	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000834136780	584026984	/nfs/dbraw/zinc/02/69/84/584026984.db2.gz	XCMHEZHNFGLULU-LURJTMIESA-N	-2	0	327.265	-0.088	20	0		EBADRL
O=C([O-])N[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)Cc1ccon1	ZINC000834136781	584026992	/nfs/dbraw/zinc/02/69/92/584026992.db2.gz	XCMHEZHNFGLULU-ZCFIWIBFSA-N	-2	0	327.265	-0.088	20	0		EBADRL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cn[nH]n1	ZINC000851701155	584200742	/nfs/dbraw/zinc/20/07/42/584200742.db2.gz	FSIDCXYRSXNTKU-FSPLSTOPSA-N	-2	0	335.242	-0.459	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1OC	ZINC000863951812	584380626	/nfs/dbraw/zinc/38/06/26/584380626.db2.gz	CQRABJISOSSNSN-UHFFFAOYSA-N	-2	0	333.318	-0.390	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1	ZINC000863956139	584381111	/nfs/dbraw/zinc/38/11/11/584381111.db2.gz	JPBBKFLCZBLNGL-LLVKDONJSA-N	-2	0	337.394	-0.014	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1	ZINC000863957900	584381298	/nfs/dbraw/zinc/38/12/98/584381298.db2.gz	INQGTUCOKZNCHU-ZCFIWIBFSA-N	-2	0	348.358	-0.155	20	0		EBADRL
Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])cc2n(C)c1=O	ZINC000863958858	584381308	/nfs/dbraw/zinc/38/13/08/584381308.db2.gz	LTHFTMJKSKHJEK-UHFFFAOYSA-N	-2	0	341.345	-0.453	20	0		EBADRL
COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1	ZINC000863958451	584381341	/nfs/dbraw/zinc/38/13/41/584381341.db2.gz	YTIZMKSQLMZWTP-UHFFFAOYSA-N	-2	0	348.358	-0.011	20	0		EBADRL
COc1c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c(C)nn1C	ZINC000863959401	584381583	/nfs/dbraw/zinc/38/15/83/584381583.db2.gz	CWYVIPZSLBJDNP-MRVPVSSYSA-N	-2	0	333.366	-0.101	20	0		EBADRL
CCOC(=O)N1CCC(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])CC1	ZINC000863961254	584381730	/nfs/dbraw/zinc/38/17/30/584381730.db2.gz	JEBJRJJVKGXFSU-UHFFFAOYSA-N	-2	0	336.366	-0.082	20	0		EBADRL
COC[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cn1)OC	ZINC000863964693	584382169	/nfs/dbraw/zinc/38/21/69/584382169.db2.gz	MKRGPHSUFZJLLD-SECBINFHSA-N	-2	0	332.334	-0.499	20	0		EBADRL
Cn1nnc2cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C3CC3)ccc21	ZINC000863965901	584382325	/nfs/dbraw/zinc/38/23/25/584382325.db2.gz	OQJGTQUPEWDKIB-NSHDSACASA-N	-2	0	338.345	-0.116	20	0		EBADRL
COC(=O)c1coc(S(=O)(=O)[N-]C(=O)CSCC(=O)[O-])c1	ZINC000863966246	584382332	/nfs/dbraw/zinc/38/23/32/584382332.db2.gz	UGGJMNROWVMTCL-UHFFFAOYSA-N	-2	0	337.331	-0.311	20	0		EBADRL
O=C([O-])CS(=O)(=O)[N-]C(=O)CCS(=O)(=O)C1CCCC1	ZINC000739842713	600178560	/nfs/dbraw/zinc/17/85/60/600178560.db2.gz	OTOQHJRPCUXCCC-UHFFFAOYSA-N	-2	0	327.380	-0.736	20	0		EBADRL
NC(=O)CSc1ccccc1C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC000739161750	600179408	/nfs/dbraw/zinc/17/94/08/600179408.db2.gz	SAFUHEGQTJZJBP-UHFFFAOYSA-N	-2	0	332.359	-0.592	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1C(N)=O	ZINC000738652472	600440564	/nfs/dbraw/zinc/44/05/64/600440564.db2.gz	LPDRUTZNHUDAHC-NXEZZACHSA-N	-2	0	326.330	-0.380	20	0		EBADRL
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-])CC1	ZINC000831114560	602186340	/nfs/dbraw/zinc/18/63/40/602186340.db2.gz	OUIQIEZRAFJNTJ-MRVPVSSYSA-N	-2	0	336.366	-0.657	20	0		EBADRL
Cc1ccc(S(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-])cc1C(N)=O	ZINC000738653480	602686785	/nfs/dbraw/zinc/68/67/85/602686785.db2.gz	VIYBCQLFEAEUCK-UHFFFAOYSA-N	-2	0	329.334	-0.491	20	0		EBADRL
C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1	ZINC000738995311	602950233	/nfs/dbraw/zinc/95/02/33/602950233.db2.gz	SYLILLCADBRQTP-MRVPVSSYSA-N	-2	0	343.361	-0.151	20	0		EBADRL
O=C([O-])NC1CCC(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1	ZINC000740554907	603068179	/nfs/dbraw/zinc/06/81/79/603068179.db2.gz	ONFDHHFQCIIQHR-UHFFFAOYSA-N	-2	0	334.336	-0.234	20	0		EBADRL
CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)[O-]	ZINC000739469503	603072439	/nfs/dbraw/zinc/07/24/39/603072439.db2.gz	QHXJPBNSAXKKPT-JGVFFNPUSA-N	-2	0	337.354	-0.969	20	0		EBADRL
CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCN(C(=O)[O-])C2)s1	ZINC000739996142	603285195	/nfs/dbraw/zinc/28/51/95/603285195.db2.gz	OLBNXDQDUKDCPG-RXMQYKEDSA-N	-2	0	335.367	-0.152	20	0		EBADRL
COc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C2)cn1	ZINC000650417750	650029558	/nfs/dbraw/zinc/02/95/58/650029558.db2.gz	YKSUATIDTRKHEY-ZJUUUORDSA-N	-2	0	344.345	-0.114	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000388473472	719414381	/nfs/dbraw/zinc/41/43/81/719414381.db2.gz	MNOBKAPFDUHFEM-UHFFFAOYSA-N	-2	0	336.253	-0.106	20	0		EBADRL
Cc1n[nH]c(C(=O)N[C@H](C)C2CN(Cc3nc(=O)n(C)[nH]3)C2)c1[O-]	ZINC000969506125	725186341	/nfs/dbraw/zinc/18/63/41/725186341.db2.gz	MXQHPSRBIDUKFX-SSDOTTSWSA-N	-2	0	335.368	-0.904	20	0		EBADRL
O=C(OCc1nc2ccccc2[nH]c1=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001222081264	811593229	/nfs/dbraw/zinc/59/32/29/811593229.db2.gz	HXQCHCQYCBYCCC-SNVBAGLBSA-N	-2	0	344.216	-0.564	20	0		EBADRL
NC(=O)c1cccc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1	ZINC001222959438	811674609	/nfs/dbraw/zinc/67/46/09/811674609.db2.gz	ADHHWBCCXJBHPN-ONGXEEELSA-N	-2	0	325.273	-0.635	20	0		EBADRL
NC(=O)c1ccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1	ZINC001223105619	811683100	/nfs/dbraw/zinc/68/31/00/811683100.db2.gz	IYOLJDFITBIYES-GXSJLCMTSA-N	-2	0	325.273	-0.635	20	0		EBADRL
O=C(OCc1ccc(-n2nccn2)cc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224189582	811748778	/nfs/dbraw/zinc/74/87/78/811748778.db2.gz	ORNRSQHSNLVUKE-LLVKDONJSA-N	-2	0	343.232	-0.219	20	0		EBADRL
CCOC(=O)c1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])on1	ZINC001224259546	811751426	/nfs/dbraw/zinc/75/14/26/811751426.db2.gz	AJPGNMQUJGJQPF-XVKPBYJWSA-N	-2	0	345.260	-0.569	20	0		EBADRL
O=C(OCc1cc(=O)n2ccccc2n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001224262401	811753315	/nfs/dbraw/zinc/75/33/15/811753315.db2.gz	QPCVKUSHHTZLNB-SECBINFHSA-N	-2	0	344.216	-0.792	20	0		EBADRL
C[C@H](COC(=O)[C@H](O)COP(=O)([O-])[O-])NC(=O)OC(C)(C)C	ZINC001225158881	811796087	/nfs/dbraw/zinc/79/60/87/811796087.db2.gz	JOHIOVAUFJNCJC-HTQZYQBOSA-N	-2	0	343.269	-0.087	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1nccc(C(F)(F)F)n1)[C@H](O)C(=O)[O-]	ZINC001225709633	811826046	/nfs/dbraw/zinc/82/60/46/811826046.db2.gz	AVCIFEBUPFSEFJ-FBCQKBJTSA-N	-2	0	338.194	-0.063	20	0		EBADRL
Cn1nc(N)c2ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc21	ZINC001226287732	811857174	/nfs/dbraw/zinc/85/71/74/811857174.db2.gz	JDGFVFBGSRCTNR-LDYMZIIASA-N	-2	0	337.288	-0.403	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2c1CCC2)[C@@H](O)C(=O)[O-]	ZINC001226590661	811872040	/nfs/dbraw/zinc/87/20/40/811872040.db2.gz	AWTSBRUPDFQFKS-JMCQJSRRSA-N	-2	0	325.273	-0.282	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1	ZINC001227130323	811905268	/nfs/dbraw/zinc/90/52/68/811905268.db2.gz	CTRSSETZSVYMBR-LHLIQPBNSA-N	-2	0	342.260	-0.905	20	0		EBADRL
COC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001227830526	811944549	/nfs/dbraw/zinc/94/45/49/811944549.db2.gz	SCVCZAWFYIJOJT-QUBYGPBYSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CCNC2=O)[C@H](O)C(=O)[O-]	ZINC001227917344	811949412	/nfs/dbraw/zinc/94/94/12/811949412.db2.gz	BAJKOZJOVXHGED-PWSUYJOCSA-N	-2	0	337.284	-0.586	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1cnc(C(F)(F)F)nc1)[C@@H](O)C(=O)[O-]	ZINC001227961303	811952437	/nfs/dbraw/zinc/95/24/37/811952437.db2.gz	DJDGSAKHBYRELU-IYSWYEEDSA-N	-2	0	338.194	-0.063	20	0		EBADRL
NC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1Cl	ZINC001227953387	811952671	/nfs/dbraw/zinc/95/26/71/811952671.db2.gz	KBDZEGDFJKXREY-XVKPBYJWSA-N	-2	0	345.691	-0.119	20	0		EBADRL
O=C(Oc1[n-]c(=O)nc2cccnc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001228005445	811956233	/nfs/dbraw/zinc/95/62/33/811956233.db2.gz	QXBVCRCQIRJJFJ-ZCFIWIBFSA-N	-3	0	331.177	-0.894	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)c2ccccc21)[C@@H](O)C(=O)[O-]	ZINC001228274237	811972522	/nfs/dbraw/zinc/97/25/22/811972522.db2.gz	PTNCUZIVTJTHNZ-WCBMZHEXSA-N	-2	0	336.256	-0.223	20	0		EBADRL
CN(C)C(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228343504	811975353	/nfs/dbraw/zinc/97/53/53/811975353.db2.gz	QUKKNZLKKHYWEX-CABZTGNLSA-N	-2	0	339.300	-0.170	20	0		EBADRL
CCOc1ncc(F)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1	ZINC001228365096	811976586	/nfs/dbraw/zinc/97/65/86/811976586.db2.gz	GRAIRJXUZNJMTM-XNCJUZBTSA-N	-2	0	332.240	-0.544	20	0		EBADRL
O=C(Oc1[nH]c(=S)nc2[nH]ccc21)[C@H](O)COP(=O)([O-])[O-]	ZINC001228528076	811985756	/nfs/dbraw/zinc/98/57/56/811985756.db2.gz	CYOMZYOZUQWZPB-RXMQYKEDSA-N	-2	0	335.234	-0.378	20	0		EBADRL
COC(=O)c1nc(C)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001228928973	812005848	/nfs/dbraw/zinc/00/58/48/812005848.db2.gz	DLKSCSZSQSRZPF-HQJQHLMTSA-N	-2	0	341.272	-0.382	20	0		EBADRL
O=C(Oc1cccc2c1CCNC2=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001229522506	812037913	/nfs/dbraw/zinc/03/79/13/812037913.db2.gz	YPTXTPNMUXSSCM-SECBINFHSA-N	-2	0	331.217	-0.652	20	0		EBADRL
Cc1ncc2c(c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])COC2	ZINC001229794041	812055964	/nfs/dbraw/zinc/05/59/64/812055964.db2.gz	DVIQWFKNPRNKAA-KWQFWETISA-N	-2	0	325.273	-0.138	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cccn2c(=O)ccnc12)[C@@H](O)C(=O)[O-]	ZINC001229928200	812063243	/nfs/dbraw/zinc/06/32/43/812063243.db2.gz	BQNKSWKXSVTESY-WRWORJQWSA-N	-2	0	336.256	-0.864	20	0		EBADRL
Nc1nc2ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc2s1	ZINC001229994474	812067479	/nfs/dbraw/zinc/06/74/79/812067479.db2.gz	YMCYUMVMZIYDAV-VHWMUFPASA-N	-2	0	341.301	-0.285	20	0		EBADRL
COC(=O)c1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@H](O)CC(=O)[O-]	ZINC001230204828	812086262	/nfs/dbraw/zinc/08/62/62/812086262.db2.gz	KQWMVJXTVAPVGP-SECBINFHSA-N	-2	0	336.256	-0.137	20	0		EBADRL
COC(=O)c1cccc(F)c1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233688445	812329220	/nfs/dbraw/zinc/32/92/20/812329220.db2.gz	GCPZAGQVGIHNPJ-MRVPVSSYSA-N	-2	0	338.180	-0.012	20	0		EBADRL
Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1	ZINC001258999465	812800471	/nfs/dbraw/zinc/80/04/71/812800471.db2.gz	LIYPQYDAJLLGJM-UHFFFAOYSA-N	-2	0	342.358	-0.347	20	0		EBADRL
O=P([O-])([O-])OCCNS(=O)(=O)c1ccc2c(c1)OCCO2	ZINC001259347014	812809451	/nfs/dbraw/zinc/80/94/51/812809451.db2.gz	JGAJITTXRAVKEL-UHFFFAOYSA-N	-2	0	339.262	-0.155	20	0		EBADRL
NC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1	ZINC001260961353	812848955	/nfs/dbraw/zinc/84/89/55/812848955.db2.gz	TYRHWMPJFQSAJV-UHFFFAOYSA-N	-2	0	345.362	-0.433	20	0		EBADRL
COc1ccc(S(=O)(=O)N[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)[O-]	ZINC001185320428	833355377	/nfs/dbraw/zinc/35/53/77/833355377.db2.gz	MUCKEJLGKGMKTH-SECBINFHSA-N	-2	0	346.342	-0.019	20	0		EBADRL
O=C(CCC(=O)NCc1cccnc1)NCCOP(=O)([O-])[O-]	ZINC001142330171	830128236	/nfs/dbraw/zinc/12/82/36/830128236.db2.gz	UWXMEZWUQUAYRX-UHFFFAOYSA-N	-2	0	331.265	-0.297	20	0		EBADRL
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001145105697	830174274	/nfs/dbraw/zinc/17/42/74/830174274.db2.gz	XVCMUDKFVAMHAI-SFYZADRCSA-N	-2	0	342.285	-0.514	20	0		EBADRL
COC(=O)c1nc(Cl)c(F)c(NCCOP(=O)([O-])[O-])n1	ZINC001168589948	832427623	/nfs/dbraw/zinc/42/76/23/832427623.db2.gz	RPNZMRBOGOHWQR-UHFFFAOYSA-N	-2	0	329.608	-0.001	20	0		EBADRL
COC(=O)[C@@H]1Cc2cc(NCCOP(=O)([O-])[O-])cnc2NC1=O	ZINC001168591883	832427873	/nfs/dbraw/zinc/42/78/73/832427873.db2.gz	GXBODJFKPBPLHO-SECBINFHSA-N	-2	0	345.248	-0.113	20	0		EBADRL
COC(=O)[C@H]1Cc2cc(NCCOP(=O)([O-])[O-])cnc2NC1=O	ZINC001168591884	832428119	/nfs/dbraw/zinc/42/81/19/832428119.db2.gz	GXBODJFKPBPLHO-VIFPVBQESA-N	-2	0	345.248	-0.113	20	0		EBADRL
O=C(Cn1nn[n-]c1=S)Nc1nc[n-]c(=O)c1Br	ZINC001177736600	832800233	/nfs/dbraw/zinc/80/02/33/832800233.db2.gz	WGBPBPLVZDMSSU-UHFFFAOYSA-N	-2	0	332.143	-0.141	20	0		EBADRL
Cn1c2ccccc2n(CC(=O)NCCOP(=O)([O-])[O-])c1=O	ZINC001178794189	832914941	/nfs/dbraw/zinc/91/49/41/832914941.db2.gz	YKQQGJKZLFALOK-UHFFFAOYSA-N	-2	0	329.249	-0.435	20	0		EBADRL
O=C(NCCOP(=O)([O-])[O-])c1cnc(-c2cnccn2)nc1	ZINC001199295102	835788878	/nfs/dbraw/zinc/78/88/78/835788878.db2.gz	UBEYUXCCDQOQSA-UHFFFAOYSA-N	-2	0	325.221	-0.227	20	0		EBADRL
Cc1cn2c(ncc(C(=O)NCCOP(=O)([O-])[O-])c2=O)s1	ZINC001201224837	836112732	/nfs/dbraw/zinc/11/27/32/836112732.db2.gz	JTHTWVRIELDWQP-UHFFFAOYSA-N	-2	0	333.262	-0.096	20	0		EBADRL
COc1cccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001204782780	836528428	/nfs/dbraw/zinc/52/84/28/836528428.db2.gz	VMBSXPPNHNSKCJ-GXFFZTMASA-N	-2	0	340.284	-0.043	20	0		EBADRL
COc1cccc(C(=O)COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001204782783	836528747	/nfs/dbraw/zinc/52/87/47/836528747.db2.gz	VMBSXPPNHNSKCJ-ZWNOBZJWSA-N	-2	0	340.284	-0.043	20	0		EBADRL
COC(=O)c1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001206095552	836622034	/nfs/dbraw/zinc/62/20/34/836622034.db2.gz	YWKNNARBECIQLF-SNVBAGLBSA-N	-2	0	334.217	-0.013	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)Oc1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001209969306	837222003	/nfs/dbraw/zinc/22/20/03/837222003.db2.gz	QPNBZTBXIDQRCZ-BXKDBHETSA-N	-2	0	326.257	-0.328	20	0		EBADRL
O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]2)C1=O	ZINC001611334237	970996783	/nfs/dbraw/zinc/99/67/83/970996783.db2.gz	NMBGSXLHMBRJLG-ZJUUUORDSA-N	-2	0	345.315	-0.333	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)C(=O)[O-]	ZINC001602115044	971153509	/nfs/dbraw/zinc/15/35/09/971153509.db2.gz	HTOWGWQIHTXKFZ-CBAPKCEASA-N	-2	0	333.322	-0.949	20	0		EBADRL
CC(C)(C)N(CC(N)=O)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001570944706	949436615	/nfs/dbraw/zinc/43/66/15/949436615.db2.gz	DINCABJLCRNYBL-UHFFFAOYSA-N	-2	0	345.367	-0.299	20	0		EBADRL
CC1(C)C(=O)NCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1	ZINC001575615003	950567515	/nfs/dbraw/zinc/56/75/15/950567515.db2.gz	YOHBWEBBVBLUDI-UHFFFAOYSA-N	-2	0	343.351	-0.675	20	0		EBADRL
O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1	ZINC001594996670	951087970	/nfs/dbraw/zinc/08/79/70/951087970.db2.gz	HBHRCYNJKKYUEM-UHFFFAOYSA-N	-2	0	325.306	-0.668	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1	ZINC001591997539	951271165	/nfs/dbraw/zinc/27/11/65/951271165.db2.gz	BUUDXQIGINVBJJ-UHFFFAOYSA-N	-2	0	329.353	-0.726	20	0		EBADRL
CCc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)nn1C	ZINC001593628363	953573143	/nfs/dbraw/zinc/57/31/43/953573143.db2.gz	HHJPABBIYOZJPR-UHFFFAOYSA-N	-2	0	328.306	-0.213	20	0		EBADRL
CO[C@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1	ZINC001593926144	956128189	/nfs/dbraw/zinc/12/81/89/956128189.db2.gz	DIWNSPXAOIPGJL-ZDUSSCGKSA-N	-2	0	330.362	-0.031	20	0		EBADRL
O=C([O-])c1cc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])ccc1F	ZINC000013028522	956908190	/nfs/dbraw/zinc/90/81/90/956908190.db2.gz	AHDOMPPYNXLXHI-LDWIPMOCSA-N	-2	0	333.293	-0.268	20	0		EBADRL
CCOC(=O)c1cnc(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)[n-]1	ZINC001573905759	961452764	/nfs/dbraw/zinc/45/27/64/961452764.db2.gz	OEPASKRBSROIKD-QMMMGPOBSA-N	-2	0	338.320	-0.152	20	0		EBADRL
Cn1ncc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])c1C(F)(F)F	ZINC001574473419	961625563	/nfs/dbraw/zinc/62/55/63/961625563.db2.gz	QBBRFYPZTZNQHU-QMMMGPOBSA-N	-2	0	331.272	-0.447	20	0		EBADRL
C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])C[C@H]1C(=O)[O-]	ZINC001571180390	962150760	/nfs/dbraw/zinc/15/07/60/962150760.db2.gz	XUWFEQDXQKAFDJ-GMSGAONNSA-N	-2	0	328.346	-0.168	20	0		EBADRL
COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC001571180737	962153957	/nfs/dbraw/zinc/15/39/57/962153957.db2.gz	DHFCIQQWFSZBPT-SNVBAGLBSA-N	-2	0	328.412	-0.038	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1C[C@@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1	ZINC001574169812	962758942	/nfs/dbraw/zinc/75/89/42/962758942.db2.gz	KXHFRHSXOVRQHU-ZJUUUORDSA-N	-2	0	339.352	-0.703	20	0		EBADRL
O=C([O-])COCCOCC[N-]S(=O)(=O)N=S1(=O)CCCC1	ZINC001606286358	973683758	/nfs/dbraw/zinc/68/37/58/973683758.db2.gz	SXQNCHKEPNCCTK-UHFFFAOYSA-N	-2	0	344.411	-0.800	20	0		EBADRL
CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1	ZINC001603842754	974345760	/nfs/dbraw/zinc/34/57/60/974345760.db2.gz	GVOVVBBYCTZCDA-SNVBAGLBSA-N	-2	0	329.353	-0.726	20	0		EBADRL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001591859138	976154133	/nfs/dbraw/zinc/15/41/33/976154133.db2.gz	OGAXROURGMFLSQ-QMMMGPOBSA-N	-2	0	327.259	-0.994	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2cc(C(=O)[O-])ccn2)C1=O	ZINC001595371554	980852508	/nfs/dbraw/zinc/85/25/08/980852508.db2.gz	HPEITFJXORUBAK-GFCCVEGCSA-N	-2	0	342.333	-0.306	20	0		EBADRL
CC[C@@]1(C)NC(=O)N([N-]S(=O)(=O)c2occc2C(=O)[O-])C1=O	ZINC001595371829	980855424	/nfs/dbraw/zinc/85/54/24/980855424.db2.gz	PFZOSDUUVSOAEU-LLVKDONJSA-N	-2	0	331.306	-0.108	20	0		EBADRL
CCOC(=O)C(C)(C)O[N-]C(=O)CN1CCC[C@@H](C(=O)[O-])C1=O	ZINC001596512799	984286823	/nfs/dbraw/zinc/28/68/23/984286823.db2.gz	UYHXCVBXOFGWMP-SECBINFHSA-N	-2	0	330.337	-0.301	20	0		EBADRL
C[C@H](O)[C@@H](NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-]	ZINC001599905089	984911914	/nfs/dbraw/zinc/91/19/14/984911914.db2.gz	QVOWFMCTEMKIEQ-AJAUBTJJSA-N	-2	0	339.272	-0.225	20	0		EBADRL
CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C1	ZINC001589056081	985162072	/nfs/dbraw/zinc/16/20/72/985162072.db2.gz	ISGKDHWNQLFPFJ-UHFFFAOYSA-N	-2	0	330.318	-0.431	20	0		EBADRL
CC(=O)N1CC(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1	ZINC001589056530	985165185	/nfs/dbraw/zinc/16/51/85/985165185.db2.gz	LOAWOFQRJZCNDU-UHFFFAOYSA-N	-2	0	326.330	-0.332	20	0		EBADRL
CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001589061307	985184180	/nfs/dbraw/zinc/18/41/80/985184180.db2.gz	WYZSXVRXWPXUML-ZDUSSCGKSA-N	-2	0	334.394	-0.198	20	0		EBADRL
CC(=O)NCCN(CC(=O)N1CCC(C(=O)[O-])CC1)[C@@H](C)C(=O)[O-]	ZINC001589139952	985448535	/nfs/dbraw/zinc/44/85/35/985448535.db2.gz	PITPVJXGUCDEGA-JTQLQIEISA-N	-2	0	343.380	-0.779	20	0		EBADRL
CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC001596911080	985912034	/nfs/dbraw/zinc/91/20/34/985912034.db2.gz	DTVCLKHPJXBSIL-MRVPVSSYSA-N	-2	0	328.325	-0.128	20	0		EBADRL
C[C@@H]1CN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)[C@H](C)CO1	ZINC001594531994	986128268	/nfs/dbraw/zinc/12/82/68/986128268.db2.gz	RPGSYMAJDWPMIK-RKDXNWHRSA-N	-2	0	333.366	-0.240	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2n(n1)CCCO2	ZINC001589450717	986841642	/nfs/dbraw/zinc/84/16/42/986841642.db2.gz	FPAQJAQSQIVFSO-SFYZADRCSA-N	-2	0	331.350	-0.166	20	0		EBADRL
CCC(=O)C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)[O-]	ZINC001594695630	987116691	/nfs/dbraw/zinc/11/66/91/987116691.db2.gz	JWCHPPAUGGLWLK-SNVBAGLBSA-N	-2	0	336.366	-0.560	20	0		EBADRL
CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-]	ZINC001594696689	987123729	/nfs/dbraw/zinc/12/37/29/987123729.db2.gz	WUGNMPMPBVMTNO-SNVBAGLBSA-N	-2	0	330.318	-0.120	20	0		EBADRL
CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N[C@H](CF)C(=O)[O-])c1	ZINC001598277427	991160420	/nfs/dbraw/zinc/16/04/20/991160420.db2.gz	ZJQZFTMXOKVSGI-SECBINFHSA-N	-2	0	334.325	-0.205	20	0		EBADRL
CN(CCC(=O)[O-])S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccn1	ZINC001598470895	992024265	/nfs/dbraw/zinc/02/42/65/992024265.db2.gz	CIXGHHKFMKMRDS-JTQLQIEISA-N	-2	0	331.350	-0.162	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCCC(=O)[O-]	ZINC001599762078	992135674	/nfs/dbraw/zinc/13/56/74/992135674.db2.gz	IRVNJHSZWIJMLS-UHFFFAOYSA-N	-2	0	344.345	-0.194	20	0		EBADRL
CN1C(=O)CN([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)C1=O	ZINC001598552948	993024533	/nfs/dbraw/zinc/02/45/33/993024533.db2.gz	PMFKJTYBKWONNF-UHFFFAOYSA-N	-2	0	337.697	-0.282	20	0		EBADRL
CN1CCN(C(=O)CNS(=O)(=O)c2cc(C(=O)[O-])co2)CC1	ZINC001598607006	993680635	/nfs/dbraw/zinc/68/06/35/993680635.db2.gz	GVKNYLXKAJWDQX-UHFFFAOYSA-N	-2	0	331.350	-0.970	20	0		EBADRL
C[C@H](NC(=O)OCc1ccccc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC001593133459	993894248	/nfs/dbraw/zinc/89/42/48/993894248.db2.gz	ANLXXGXMYJZVLO-VIFPVBQESA-N	-2	0	344.345	-0.168	20	0		EBADRL
CNC(=O)Cn1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cn1	ZINC001598651044	994443003	/nfs/dbraw/zinc/44/30/03/994443003.db2.gz	LSBFJXKLUREYFY-UHFFFAOYSA-N	-2	0	339.333	-0.477	20	0		EBADRL
COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1	ZINC001598694308	995112693	/nfs/dbraw/zinc/11/26/93/995112693.db2.gz	ZRFUDSYOSOMFSV-MRVPVSSYSA-N	-2	0	329.330	-0.065	20	0		EBADRL
C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)NCC(=O)[O-]	ZINC001593485689	995448768	/nfs/dbraw/zinc/44/87/68/995448768.db2.gz	SSPNZYKKZJAVLP-YFKPBYRVSA-N	-2	0	328.243	-0.424	20	0		EBADRL
CO[N-]C(=O)CNC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC001599321145	997584128	/nfs/dbraw/zinc/58/41/28/997584128.db2.gz	SHMDNSJKQPJOLC-UHFFFAOYSA-N	-2	0	338.320	-0.310	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])C2CCOCC2)n[nH]1	ZINC001598952544	998180207	/nfs/dbraw/zinc/18/02/07/998180207.db2.gz	JOTRWXINFSWSNE-UHFFFAOYSA-N	-2	0	347.349	-0.549	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])on1	ZINC001598953769	998202550	/nfs/dbraw/zinc/20/25/50/998202550.db2.gz	IVODUCCOOPPUBS-BYPYZUCNSA-N	-2	0	328.249	-0.152	20	0		EBADRL
COC(=O)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)nc1	ZINC001598982754	998672582	/nfs/dbraw/zinc/67/25/82/998672582.db2.gz	AWBVTPUDUWFUQC-UHFFFAOYSA-N	-2	0	340.317	-0.050	20	0		EBADRL
C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)C1	ZINC001594209049	998808568	/nfs/dbraw/zinc/80/85/68/998808568.db2.gz	BNGUGRHBTXJBEB-FTGAXOIBSA-N	-2	0	326.349	-0.121	20	0		EBADRL
C[C@H]1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC001594432248	999608567	/nfs/dbraw/zinc/60/85/67/999608567.db2.gz	QWJAZPWBSYWCEF-WCBMZHEXSA-N	-2	0	331.350	-0.301	20	0		EBADRL
C[C@@H]1CN(C(=O)NCCC(=O)NCCC(=O)[O-])CC[C@@H]1C(=O)[O-]	ZINC001594473408	999707115	/nfs/dbraw/zinc/70/71/15/999707115.db2.gz	LXTIBHKFGFIWRE-ZJUUUORDSA-N	-2	0	329.353	-0.280	20	0		EBADRL
Cc1cc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC001365157244	1132562807	/nfs/dbraw/zinc/56/28/07/1132562807.db2.gz	DQUHQSIOISLLFY-UWVGGRQHSA-N	-2	0	348.359	-0.193	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]	ZINC000275033707	304081556	/nfs/dbraw/zinc/08/15/56/304081556.db2.gz	UKJSQHUGTOEGQM-MRVPVSSYSA-N	-2	0	345.329	-0.088	20	0		EBADRL
NC(=O)Cn1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1	ZINC000070156605	376061819	/nfs/dbraw/zinc/06/18/19/376061819.db2.gz	ZPRCCJCXAXDFRO-UHFFFAOYSA-N	-2	0	330.347	-0.071	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)C(=O)[O-]	ZINC000316700382	376451100	/nfs/dbraw/zinc/45/11/00/376451100.db2.gz	BWENYDQVGALZBY-QMMMGPOBSA-N	-2	0	329.290	-0.938	20	0		EBADRL
O=C([O-])C1CN(C(=O)NCCNS(=O)(=O)c2cccs2)C1	ZINC000621832032	379365096	/nfs/dbraw/zinc/36/50/96/379365096.db2.gz	BMARADDQKCRIKD-UHFFFAOYSA-N	-2	0	333.391	-0.248	20	0		EBADRL
CC(C)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-]	ZINC000270423104	379448744	/nfs/dbraw/zinc/44/87/44/379448744.db2.gz	GIGKKNHTJAQLMB-MRVPVSSYSA-N	-2	0	342.333	-0.177	20	0		EBADRL
CC(=O)Nc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])ccc1F	ZINC000274880441	379720719	/nfs/dbraw/zinc/72/07/19/379720719.db2.gz	CNYHAGLAGZSZDM-SNVBAGLBSA-N	-2	0	348.308	-0.010	20	0		EBADRL
O=C([O-])C[C@H](CNS(=O)(=O)c1ccc2c(c1)OCO2)C(=O)[O-]	ZINC000274925553	379724859	/nfs/dbraw/zinc/72/48/59/379724859.db2.gz	CAAUZAAZVGPUNC-SSDOTTSWSA-N	-2	0	331.302	-0.131	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])oc1C	ZINC000274955505	379726921	/nfs/dbraw/zinc/72/69/21/379726921.db2.gz	ILMGAULYHKHAIX-ZETCQYMHSA-N	-2	0	349.317	-0.172	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])c[nH]1	ZINC000274989444	379729066	/nfs/dbraw/zinc/72/90/66/379729066.db2.gz	MMGHEXPNWLOIJW-ZCFIWIBFSA-N	-2	0	334.306	-0.745	20	0		EBADRL
CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1nc(=O)o[n-]1	ZINC000280111149	379971900	/nfs/dbraw/zinc/97/19/00/379971900.db2.gz	NLJPVDUNVJFFEG-UHFFFAOYSA-N	-2	0	326.334	-0.293	20	0		EBADRL
O=C([O-])C(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	ZINC000354980294	380124559	/nfs/dbraw/zinc/12/45/59/380124559.db2.gz	CGDGKFMSGXRTOE-UHFFFAOYSA-N	-2	0	333.288	-0.952	20	0		EBADRL
C[C@](CNS(=O)(=O)c1ccc(C(N)=O)cc1)(CC(=O)[O-])C(=O)[O-]	ZINC000547933067	380173038	/nfs/dbraw/zinc/17/30/38/380173038.db2.gz	QGQLLEUBVHAFIA-CYBMUJFWSA-N	-2	0	344.345	-0.371	20	0		EBADRL
CCOC(=O)c1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])o1	ZINC000548206137	380190244	/nfs/dbraw/zinc/19/02/44/380190244.db2.gz	LIOBDDNVHUNINK-UHFFFAOYSA-N	-2	0	335.290	-0.384	20	0		EBADRL
O=C([O-])[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C[C@H]1C(=O)[O-]	ZINC000548249689	380194151	/nfs/dbraw/zinc/19/41/51/380194151.db2.gz	DHIWKRZEIDMBBM-GMTAPVOTSA-N	-2	0	335.378	-0.007	20	0		EBADRL
Cc1cnc(N)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C(=O)[O-])C2)c1	ZINC000548580248	380218114	/nfs/dbraw/zinc/21/81/14/380218114.db2.gz	NULHLBUNZDLYAP-DTWKUNHWSA-N	-2	0	343.361	-0.232	20	0		EBADRL
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1	ZINC000567692587	380535709	/nfs/dbraw/zinc/53/57/09/380535709.db2.gz	XVICWWOOLSLKGB-IZLXSQMJSA-N	-2	0	340.317	-0.423	20	0		EBADRL
CCOC(=O)N[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000023990334	381129277	/nfs/dbraw/zinc/12/92/77/381129277.db2.gz	LITZCESAEDXDAU-UHFFFAOYSA-N	-2	0	345.333	-0.560	20	0		EBADRL
COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000274917667	292001750	/nfs/dbraw/zinc/00/17/50/292001750.db2.gz	MEUBTQSVSMCHQK-MRVPVSSYSA-N	-2	0	349.292	-0.182	20	0		EBADRL
NC(=O)c1cccc(S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000298862275	155138296	/nfs/dbraw/zinc/13/82/96/155138296.db2.gz	PTERKNPVXRKYRW-VIFPVBQESA-N	-2	0	330.318	-0.618	20	0		EBADRL
CC(C)N(CC(=O)[O-])S(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000262497400	154234438	/nfs/dbraw/zinc/23/44/38/154234438.db2.gz	YMVOIZSJPWDKRI-UHFFFAOYSA-N	-2	0	342.333	-0.080	20	0		EBADRL
O=C([O-])C1(NS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1	ZINC000282867042	419330035	/nfs/dbraw/zinc/33/00/35/419330035.db2.gz	OVAKCILTNHDRSX-UHFFFAOYSA-N	-2	0	326.290	-0.669	20	0		EBADRL
Cn1nc(C(F)(F)F)cc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000530137389	420780175	/nfs/dbraw/zinc/78/01/75/420780175.db2.gz	OZDZNTCAXPRTIU-SCSAIBSYSA-N	-2	0	345.255	-0.355	20	0		EBADRL
Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)[nH]c2nc(=O)[n-]c(=O)c1-2	ZINC000447632636	265375197	/nfs/dbraw/zinc/37/51/97/265375197.db2.gz	MNIZQSNHLAMURV-UHFFFAOYSA-N	-2	0	332.276	-0.607	20	0		EBADRL
Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000275102498	302747420	/nfs/dbraw/zinc/74/74/20/302747420.db2.gz	LSKZDQQCAVCHFF-UWVGGRQHSA-N	-2	0	345.377	-0.167	20	0		EBADRL
Cc1nn(C)cc1S(=O)(=O)N1CC[C@@](CC(=O)[O-])(C(=O)[O-])C1	ZINC000558473303	568586441	/nfs/dbraw/zinc/58/64/41/568586441.db2.gz	NSWGSFJNPVGIAA-LBPRGKRZSA-N	-2	0	331.350	-0.331	20	0		EBADRL
CC(=O)Nc1ncc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])s1	ZINC000650413662	582548386	/nfs/dbraw/zinc/54/83/86/582548386.db2.gz	XHTNYVUSLPKIBL-UHFFFAOYSA-N	-2	0	337.335	-0.739	20	0		EBADRL
COC(=O)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])ccc1C)C(=O)[O-]	ZINC000731050162	582834035	/nfs/dbraw/zinc/83/40/35/582834035.db2.gz	CVMJMNDNLBZADY-VIFPVBQESA-N	-2	0	345.329	-0.012	20	0		EBADRL
CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])N1CCCC1=O	ZINC000736348300	582930987	/nfs/dbraw/zinc/93/09/87/582930987.db2.gz	WZVOBUGGODTWBV-GFCCVEGCSA-N	-2	0	334.394	-0.056	20	0		EBADRL
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1	ZINC000737155105	582993346	/nfs/dbraw/zinc/99/33/46/582993346.db2.gz	PBMNKTCFVWBWDO-UHFFFAOYSA-N	-2	0	343.321	-0.332	20	0		EBADRL
CN(C)C(=O)N1CCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1	ZINC000737349491	583005838	/nfs/dbraw/zinc/00/58/38/583005838.db2.gz	FBZKTAKUNLYUJH-UHFFFAOYSA-N	-2	0	349.409	-0.309	20	0		EBADRL
CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])c1	ZINC000737362382	583006351	/nfs/dbraw/zinc/00/63/51/583006351.db2.gz	VKPCALJCXRUDBZ-UHFFFAOYSA-N	-2	0	329.334	-0.539	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)C(=O)[O-]	ZINC000737392836	583007081	/nfs/dbraw/zinc/00/70/81/583007081.db2.gz	BFSANQSHURSMBY-UHFFFAOYSA-N	-2	0	341.345	-0.613	20	0		EBADRL
COC(=O)Cn1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])n1	ZINC000737631926	583023627	/nfs/dbraw/zinc/02/36/27/583023627.db2.gz	WVGIISXQBDPTEW-UHFFFAOYSA-N	-2	0	343.321	-0.413	20	0		EBADRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)[O-]	ZINC000738210429	583045496	/nfs/dbraw/zinc/04/54/96/583045496.db2.gz	PHRWMYDLLOHWRB-QMMMGPOBSA-N	-2	0	341.305	-0.927	20	0		EBADRL
Cn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1C(N)=O	ZINC000776425607	583404006	/nfs/dbraw/zinc/40/40/06/583404006.db2.gz	CNCYFWPNAIVUDZ-UHFFFAOYSA-N	-2	0	327.322	-0.644	20	0		EBADRL
Cn1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])nc1Cl	ZINC000776437611	583404110	/nfs/dbraw/zinc/40/41/10/583404110.db2.gz	YDACGWNXWIKEND-RXMQYKEDSA-N	-2	0	325.730	-0.330	20	0		EBADRL
Cn1nc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1C(=O)[O-]	ZINC000776427192	583404152	/nfs/dbraw/zinc/40/41/52/583404152.db2.gz	OMSQTJAWQWXFIW-UHFFFAOYSA-N	-2	0	349.332	-0.105	20	0		EBADRL
O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(-c2nnco2)c1)C(=O)[O-]	ZINC000776443651	583404497	/nfs/dbraw/zinc/40/44/97/583404497.db2.gz	FYLCJOPYTGOVSE-SECBINFHSA-N	-2	0	341.301	-0.057	20	0		EBADRL
Cn1c(Cl)ncc1S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-]	ZINC000776585380	583406757	/nfs/dbraw/zinc/40/67/57/583406757.db2.gz	WYGVUYRXJUOBBX-SNVBAGLBSA-N	-2	0	339.757	-0.083	20	0		EBADRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)OC2	ZINC000776645375	583407773	/nfs/dbraw/zinc/40/77/73/583407773.db2.gz	NISYZCXMXORBGK-UHFFFAOYSA-N	-2	0	329.286	-0.483	20	0		EBADRL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cc2n[nH]nc2cc1F	ZINC000800551659	583615922	/nfs/dbraw/zinc/61/59/22/583615922.db2.gz	OXFYQTFCROKQSC-UHFFFAOYSA-N	-2	0	329.313	-0.707	20	0		EBADRL
O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1ccc(-c2nn[nH]n2)s1	ZINC000823284496	583827691	/nfs/dbraw/zinc/82/76/91/583827691.db2.gz	IEYFHOHCFLAKHT-ZCFIWIBFSA-N	-2	0	329.363	-0.223	20	0		EBADRL
CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)C1	ZINC000823550696	583832780	/nfs/dbraw/zinc/83/27/80/583832780.db2.gz	WXEFTKSRWOHZDL-GHMZBOCLSA-N	-2	0	347.393	-0.557	20	0		EBADRL
CCc1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)cnn1C	ZINC000827552588	583923576	/nfs/dbraw/zinc/92/35/76/583923576.db2.gz	XEFQXSYCJPKIMI-MRVPVSSYSA-N	-2	0	330.366	-0.206	20	0		EBADRL
COCCN(C)S(=O)(=O)[N-]C(=O)[C@H](CC(C)C)NC(=O)[O-]	ZINC000828963981	583949201	/nfs/dbraw/zinc/94/92/01/583949201.db2.gz	IRMNESMZHCTADJ-VIFPVBQESA-N	-2	0	325.387	-0.392	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@]1(F)CCN(C(=O)[O-])C1	ZINC000829001569	583949903	/nfs/dbraw/zinc/94/99/03/583949903.db2.gz	BDXXBWPMCKHUJA-NSHDSACASA-N	-2	0	342.345	-0.813	20	0		EBADRL
CSCC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)N1CCOCC1	ZINC000829732066	583957774	/nfs/dbraw/zinc/95/77/74/583957774.db2.gz	TWOSSZPFGMGBKU-QMMMGPOBSA-N	-2	0	341.411	-0.931	20	0		EBADRL
Cc1noc(CCC(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)n1	ZINC000830919663	583972190	/nfs/dbraw/zinc/97/21/90/583972190.db2.gz	BNFJKSTYKKETIU-QMMMGPOBSA-N	-2	0	332.338	-0.491	20	0		EBADRL
Cn1cc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)[O-])C2)ccc1=O	ZINC000830990092	583973597	/nfs/dbraw/zinc/97/35/97/583973597.db2.gz	ZVNBFXHNGCGWNE-SECBINFHSA-N	-2	0	329.334	-0.803	20	0		EBADRL
O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1	ZINC000831747096	583991218	/nfs/dbraw/zinc/99/12/18/583991218.db2.gz	DSDYUNYCLFJMIL-WPRPVWTQSA-N	-2	0	345.377	-0.804	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)c2ccc3nncn3c2)C1	ZINC000831748117	583991236	/nfs/dbraw/zinc/99/12/36/583991236.db2.gz	TXAMOYBBCGSSTJ-SECBINFHSA-N	-2	0	339.333	-0.459	20	0		EBADRL
O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CC3)C2)C1	ZINC000831747095	583991252	/nfs/dbraw/zinc/99/12/52/583991252.db2.gz	DSDYUNYCLFJMIL-WCBMZHEXSA-N	-2	0	345.377	-0.804	20	0		EBADRL
COCCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000831767868	583991405	/nfs/dbraw/zinc/99/14/05/583991405.db2.gz	UELFFNQHEKNLKD-GHMZBOCLSA-N	-2	0	337.394	-0.014	20	0		EBADRL
O=C([O-])N1CC[C@H](N(C(=O)Cn2[n-]cc3c(=O)ncnc2-3)C2CC2)C1	ZINC000831921704	583993524	/nfs/dbraw/zinc/99/35/24/583993524.db2.gz	IQEIKYKAXVPGTD-JTQLQIEISA-N	-2	0	346.347	-0.186	20	0		EBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)Cc2cccnc2)CC1	ZINC000833117863	584006046	/nfs/dbraw/zinc/00/60/46/584006046.db2.gz	GIVWWYPPFSZDBE-UHFFFAOYSA-N	-2	0	327.362	-0.218	20	0		EBADRL
O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)c2cncc(F)c2)CC1	ZINC000833148161	584006395	/nfs/dbraw/zinc/00/63/95/584006395.db2.gz	CAFLWHZGWWTIHE-UHFFFAOYSA-N	-2	0	331.325	-0.008	20	0		EBADRL
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)CSc1n[n-]c(=S)s1	ZINC000833206053	584007023	/nfs/dbraw/zinc/00/70/23/584007023.db2.gz	NFXDXZCBHGHMAD-RXMQYKEDSA-N	-2	0	348.431	-0.279	20	0		EBADRL
O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2cc(=O)[nH][n-]2)C1=O	ZINC000833355081	584008984	/nfs/dbraw/zinc/00/89/84/584008984.db2.gz	HTKIMZRJNBIEKN-SSDOTTSWSA-N	-2	0	336.329	-0.456	20	0		EBADRL
NC(=O)C[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000833985396	584022900	/nfs/dbraw/zinc/02/29/00/584022900.db2.gz	ZIXHBYGLFKYWNY-QMMMGPOBSA-N	-2	0	335.276	-0.520	20	0		EBADRL
O=C([O-])N[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000834137119	584026920	/nfs/dbraw/zinc/02/69/20/584026920.db2.gz	ZVFKQAUGHRKJNM-RQJHMYQMSA-N	-2	0	330.309	-0.097	20	0		EBADRL
O=C([O-])NCC(=O)NCC(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1	ZINC000834198684	584028941	/nfs/dbraw/zinc/02/89/41/584028941.db2.gz	NQEDJSLBNADWAT-UHFFFAOYSA-N	-2	0	335.276	-0.648	20	0		EBADRL
Cc1c(F)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1C(=O)[O-]	ZINC000842574739	584064551	/nfs/dbraw/zinc/06/45/51/584064551.db2.gz	MSDDLLRKFAGZPP-UHFFFAOYSA-N	-2	0	348.308	-0.689	20	0		EBADRL
CCO[N-]C(=O)CNc1nc(C)c(F)c(NCC(=O)[N-]OCC)n1	ZINC000853714373	584230861	/nfs/dbraw/zinc/23/08/61/584230861.db2.gz	XAZKCTVUPSOXAP-UHFFFAOYSA-N	-2	0	344.347	-0.117	20	0		EBADRL
COC(=O)CS(=O)(=O)[N-]C(=O)c1cccc(OCC(=O)[O-])c1	ZINC000863954556	584380751	/nfs/dbraw/zinc/38/07/51/584380751.db2.gz	FFNVSIMIHNBLIH-UHFFFAOYSA-N	-2	0	331.302	-0.617	20	0		EBADRL
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c1	ZINC000863953760	584380816	/nfs/dbraw/zinc/38/08/16/584380816.db2.gz	XXOCXFXLYRKNSV-UHFFFAOYSA-N	-2	0	335.359	-0.240	20	0		EBADRL
CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)COCC(=O)[O-])cc1	ZINC000863961356	584381719	/nfs/dbraw/zinc/38/17/19/584381719.db2.gz	MUQQZSGXWCGKAZ-UHFFFAOYSA-N	-2	0	344.345	-0.907	20	0		EBADRL
CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C(N)=O)no1	ZINC000863965363	584382111	/nfs/dbraw/zinc/38/21/11/584382111.db2.gz	HOZDDUTYDSUODP-SSDOTTSWSA-N	-2	0	333.322	-0.675	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])nc1	ZINC000863964440	584382194	/nfs/dbraw/zinc/38/21/94/584382194.db2.gz	JQLPARXCHKYEKB-UHFFFAOYSA-N	-2	0	332.334	-0.499	20	0		EBADRL
O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)cc1	ZINC000739824633	600243443	/nfs/dbraw/zinc/24/34/43/600243443.db2.gz	SVXVGJLRPXIOQY-NSHDSACASA-N	-2	0	329.330	-0.002	20	0		EBADRL
O=C([O-])COc1cccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1	ZINC000739825587	600261644	/nfs/dbraw/zinc/26/16/44/600261644.db2.gz	KDLNSPQGTSELII-NSHDSACASA-N	-2	0	333.304	-0.123	20	0		EBADRL
Cc1c(C(=O)[N-]S(C)(=O)=O)nnn1C1CCN(C(=O)[O-])CC1	ZINC000740039448	602212618	/nfs/dbraw/zinc/21/26/18/602212618.db2.gz	YKQSQOZBCKEKIS-UHFFFAOYSA-N	-2	0	331.354	-0.409	20	0		EBADRL
O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC000740538790	602500983	/nfs/dbraw/zinc/50/09/83/602500983.db2.gz	YXQUMEDVBCHLJM-NWDGAFQWSA-N	-2	0	346.347	-0.022	20	0		EBADRL
COc1ccc(S(=O)(=O)[N-]C(=O)COCCNC(=O)[O-])cc1	ZINC000739931605	602675805	/nfs/dbraw/zinc/67/58/05/602675805.db2.gz	FTJMHLSOXZBVKF-UHFFFAOYSA-N	-2	0	332.334	-0.216	20	0		EBADRL
COc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1NC(=O)[O-]	ZINC000739917950	602762832	/nfs/dbraw/zinc/76/28/32/602762832.db2.gz	YZDWRNNKKAJLIU-UHFFFAOYSA-N	-2	0	335.280	-0.447	20	0		EBADRL
Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC1CN(C(=O)[O-])C1	ZINC000740028440	603203214	/nfs/dbraw/zinc/20/32/14/603203214.db2.gz	RCSVBULKAUTHDY-UHFFFAOYSA-N	-2	0	344.331	-0.031	20	0		EBADRL
O=C(COC1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1	ZINC000831530494	605280614	/nfs/dbraw/zinc/28/06/14/605280614.db2.gz	ZHGMPXGERNMTAP-SNVBAGLBSA-N	-2	0	336.366	-0.620	20	0		EBADRL
O=C([O-])CNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000918063349	650286556	/nfs/dbraw/zinc/28/65/56/650286556.db2.gz	SKBJATBQXOBOAY-UHFFFAOYSA-N	-2	0	334.281	-0.997	20	0		EBADRL
CO[N-]C(=O)CNC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000927216690	651500059	/nfs/dbraw/zinc/50/00/59/651500059.db2.gz	ZXKGQKPZOCIMAV-QMMMGPOBSA-N	-2	0	340.302	-0.236	20	0		EBADRL
COc1ccnc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1OC	ZINC001223100730	811682961	/nfs/dbraw/zinc/68/29/61/811682961.db2.gz	XEBGJUGBXSUKRA-CPCISQLKSA-N	-2	0	343.288	-0.322	20	0		EBADRL
COC(=O)c1ccnc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1	ZINC001223990123	811739002	/nfs/dbraw/zinc/73/90/02/811739002.db2.gz	UVYSREXLCCZXBK-GXSJLCMTSA-N	-2	0	341.272	-0.552	20	0		EBADRL
CSc1nccc(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1	ZINC001224108805	811745276	/nfs/dbraw/zinc/74/52/76/811745276.db2.gz	DAGXKKPAJJEQHN-IONNQARKSA-N	-2	0	330.318	-0.222	20	0		EBADRL
Cc1nc(C)c(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1C	ZINC001224152232	811747811	/nfs/dbraw/zinc/74/78/11/811747811.db2.gz	UDKPTLIFYFCIEK-SKDRFNHKSA-N	-2	0	326.305	-0.019	20	0		EBADRL
O=C([O-])C[C@H](C(=O)OCc1ccc(-n2nccn2)cc1)[C@H](O)C(=O)[O-]	ZINC001224188908	811748813	/nfs/dbraw/zinc/74/88/13/811748813.db2.gz	KIGUCTJBUORKSJ-AAEUAGOBSA-N	-2	0	349.299	-0.153	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)OCC(=O)OCc1ccccc1)[C@@H](O)C(=O)[O-]	ZINC001224331870	811757671	/nfs/dbraw/zinc/75/76/71/811757671.db2.gz	MXUIMRINQYMVTP-ZWNOBZJWSA-N	-2	0	340.284	-0.191	20	0		EBADRL
CCOC(=O)/C=C(/COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])OCC	ZINC001225029553	811789148	/nfs/dbraw/zinc/78/91/48/811789148.db2.gz	UYYAMUYBQZXJNV-MNUUWDBISA-N	-2	0	348.304	-0.451	20	0		EBADRL
COC(=O)c1ccncc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225518884	811815717	/nfs/dbraw/zinc/81/57/17/811815717.db2.gz	KILAUVGGSORLLB-OIBJUYFYSA-N	-2	0	327.245	-0.690	20	0		EBADRL
O=c1ncc(F)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001225880825	811833953	/nfs/dbraw/zinc/83/39/53/811833953.db2.gz	BAWLWYLUSCTNMJ-MRVPVSSYSA-N	-2	0	337.329	-0.711	20	0		EBADRL
CC(=O)Nc1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226151618	811847976	/nfs/dbraw/zinc/84/79/76/811847976.db2.gz	RXZTUTOTRALVOR-OIBJUYFYSA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C(Oc1nc2ccc(Cl)nc2[nH]1)[C@H](O)COP(=O)([O-])[O-]	ZINC001226587954	811872417	/nfs/dbraw/zinc/87/24/17/811872417.db2.gz	NFJDFODYIQTHNN-RXMQYKEDSA-N	-2	0	337.612	-0.013	20	0		EBADRL
NC(=S)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1	ZINC001226656869	811876921	/nfs/dbraw/zinc/87/69/21/811876921.db2.gz	ZCKYKIDIGYVGOP-SCZZXKLOSA-N	-2	0	327.314	-0.237	20	0		EBADRL
Cc1nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1Cl	ZINC001227112651	811904094	/nfs/dbraw/zinc/90/40/94/811904094.db2.gz	NJAVOOHSNVKGAB-MHTLYPKNSA-N	-3	0	334.668	-0.414	20	0		EBADRL
COc1cc(O)cc(OC)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001227251362	811912392	/nfs/dbraw/zinc/91/23/92/811912392.db2.gz	GFPGFPLOLTZGFE-HQJQHLMTSA-N	-2	0	344.272	-0.149	20	0		EBADRL
COC(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001227599525	811929932	/nfs/dbraw/zinc/92/99/32/811929932.db2.gz	CQRLCEDHDINHJQ-GZMMTYOYSA-N	-2	0	326.257	-0.085	20	0		EBADRL
O=C(Oc1ccc2c(=O)cc[nH]c2c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227888246	811947710	/nfs/dbraw/zinc/94/77/10/811947710.db2.gz	ABKRKILMKCRMTJ-LLVKDONJSA-N	-2	0	329.201	-0.096	20	0		EBADRL
O=C(Oc1cnc(C(F)(F)F)nc1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227961931	811954025	/nfs/dbraw/zinc/95/40/25/811954025.db2.gz	GXVBTCRDBYBLIF-RXMQYKEDSA-N	-2	0	332.127	-0.129	20	0		EBADRL
CSc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)[nH]1	ZINC001228095752	811961673	/nfs/dbraw/zinc/96/16/73/811961673.db2.gz	XLJUVHJORMSEJI-NVNXEXLPSA-N	-2	0	332.290	-0.654	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(-c2ccncc2)n1)[C@H](O)C(=O)[O-]	ZINC001228700124	811994249	/nfs/dbraw/zinc/99/42/49/811994249.db2.gz	ODBRTOVGYKATJE-APPZFPTMSA-N	-2	0	336.260	-0.692	20	0		EBADRL
O=C(Oc1n[nH]c(-c2cccnc2)n1)[C@H](O)COP(=O)([O-])[O-]	ZINC001228697300	811994827	/nfs/dbraw/zinc/99/48/27/811994827.db2.gz	HNBVRPZGMPRJLB-SSDOTTSWSA-N	-2	0	330.193	-0.758	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1n[nH]c(=O)c2cccnc21)[C@@H](O)C(=O)[O-]	ZINC001228709996	811995920	/nfs/dbraw/zinc/99/59/20/811995920.db2.gz	KGIZHOVRHYYQEC-IMTBSYHQSA-N	-2	0	337.244	-0.828	20	0		EBADRL
CCOC(=O)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001229148660	812014694	/nfs/dbraw/zinc/01/46/94/812014694.db2.gz	AVPLWUGHRNCWDQ-CPCISQLKSA-N	-2	0	341.272	-0.300	20	0		EBADRL
O=C([O-])C[C@@H](C(=O)Oc1n[nH]c(=O)c2c1CCCC2)[C@@H](O)C(=O)[O-]	ZINC001229220861	812020566	/nfs/dbraw/zinc/02/05/66/812020566.db2.gz	KOOFVQAXCIEBGI-PSASIEDQSA-N	-2	0	340.288	-0.497	20	0		EBADRL
CC(=O)NCCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1	ZINC001229668062	812046940	/nfs/dbraw/zinc/04/69/40/812046940.db2.gz	GUXKUKIQVJHAKP-GFCCVEGCSA-N	-2	0	347.260	-0.259	20	0		EBADRL
COC(=O)c1cnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001230280150	812098395	/nfs/dbraw/zinc/09/83/95/812098395.db2.gz	MSXYKUJQJRBJHR-VIFPVBQESA-N	-2	0	349.365	-0.836	20	0		EBADRL
O=C([O-])C[C@H](C(=O)Oc1cc2c(cc1O)C=NCC2)[C@@H](O)C(=O)[O-]	ZINC001230921056	812256569	/nfs/dbraw/zinc/25/65/69/812256569.db2.gz	CWVSQEBBVATWDK-TVQRCGJNSA-N	-2	0	337.284	-0.191	20	0		EBADRL
CCOC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cn1	ZINC001233496258	812311946	/nfs/dbraw/zinc/31/19/46/812311946.db2.gz	ZUSCTIZJORVBOF-KWQFWETISA-N	-2	0	341.272	-0.300	20	0		EBADRL
CCn1nc(C(C)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C	ZINC001233660348	812326921	/nfs/dbraw/zinc/32/69/21/812326921.db2.gz	OVWVTGVADIFNJV-GZMMTYOYSA-N	-2	0	342.304	-0.144	20	0		EBADRL
CCn1nc(C(C)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1C	ZINC001233660352	812327138	/nfs/dbraw/zinc/32/71/38/812327138.db2.gz	OVWVTGVADIFNJV-LDYMZIIASA-N	-2	0	342.304	-0.144	20	0		EBADRL
COc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(OC)n1	ZINC001234255639	812403347	/nfs/dbraw/zinc/40/33/47/812403347.db2.gz	LKBQXLDNPCVSGZ-WKEGUHRASA-N	-2	0	329.261	-0.459	20	0		EBADRL
O=c1c([O-])c(OC(=C([O-])c2ccco2)c2ccco2)c(=O)c(=O)c1=O	ZINC001234376944	812418841	/nfs/dbraw/zinc/41/88/41/812418841.db2.gz	VYSXRUNTSXSGJV-OAHLLOKOSA-N	-2	0	344.231	-0.102	20	0		EBADRL
CCOC(=O)c1cccnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001234618260	812444448	/nfs/dbraw/zinc/44/44/48/812444448.db2.gz	ITDVQQKZJMOKHH-WPRPVWTQSA-N	-2	0	341.272	-0.300	20	0		EBADRL
CC(=O)Nc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1	ZINC001234649573	812446928	/nfs/dbraw/zinc/44/69/28/812446928.db2.gz	QBLSEZQKZNGIOF-KWQFWETISA-N	-2	0	326.261	-0.518	20	0		EBADRL
O=C([O-])CCC(=O)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC001260402957	812832948	/nfs/dbraw/zinc/83/29/48/812832948.db2.gz	ZXKMBKIHUOOOAC-UHFFFAOYSA-N	-2	0	331.302	-0.197	20	0		EBADRL
COC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOP(=O)([O-])[O-]	ZINC001180791774	833110729	/nfs/dbraw/zinc/11/07/29/833110729.db2.gz	HEIDKDKWPXXZCU-QMMMGPOBSA-N	-2	0	342.285	-0.248	20	0		EBADRL
COc1cc(C[C@@H](O)C(=O)NCCOP(=O)([O-])[O-])ccc1O	ZINC001143603485	830154581	/nfs/dbraw/zinc/15/45/81/830154581.db2.gz	UYLVYGJUBIUYKU-SNVBAGLBSA-N	-2	0	335.249	-0.470	20	0		EBADRL
CS(=O)(=O)c1c[n-]c2nc[nH+]c(NCCOP(=O)([O-])[O-])c21	ZINC001157787355	831592800	/nfs/dbraw/zinc/59/28/00/831592800.db2.gz	HXIUWGINNPNNGA-UHFFFAOYSA-N	-2	0	336.266	-0.166	20	0		EBADRL
N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1-c1csc(C(=O)[O-])c1	ZINC001176436522	832673955	/nfs/dbraw/zinc/67/39/55/832673955.db2.gz	VPKARQPDTPSACU-UHFFFAOYSA-N	-2	0	347.334	-0.543	20	0		EBADRL
COC(=O)[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])[C@@H](C)O	ZINC001189899984	834206868	/nfs/dbraw/zinc/20/68/68/834206868.db2.gz	LWKUZFQCTVEXKV-XCBNKYQSSA-N	-2	0	333.233	-0.190	20	0		EBADRL
O=C([O-])c1cc(C(=O)NCCn2ccnn2)cc(S(=O)(=O)[O-])c1	ZINC001189914316	834207783	/nfs/dbraw/zinc/20/77/83/834207783.db2.gz	MRQVTHRSQNWFTB-UHFFFAOYSA-N	-2	0	340.317	-0.347	20	0		EBADRL
NS(=O)(=O)c1cc(C(=O)NCS(=O)(=O)[O-])c([O-])cc1Cl	ZINC001191046424	834404342	/nfs/dbraw/zinc/40/43/42/834404342.db2.gz	SXZGWEISIRNDDG-UHFFFAOYSA-N	-2	0	344.754	-0.732	20	0		EBADRL
CC(=O)N1CCC(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)CC1	ZINC001329217244	840875713	/nfs/dbraw/zinc/87/57/13/840875713.db2.gz	VRYHTGNKWCXTGF-UHFFFAOYSA-N	-2	0	332.378	-0.302	20	0		EBADRL
CN(C)c1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)ccn1	ZINC001593709188	954174812	/nfs/dbraw/zinc/17/48/12/954174812.db2.gz	HRDZITKMYHOLMI-UHFFFAOYSA-N	-2	0	340.317	-0.048	20	0		EBADRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCc1nc(=O)o[n-]1	ZINC000392161996	972418312	/nfs/dbraw/zinc/41/83/12/972418312.db2.gz	FJAUOJCDYTWPRC-UHFFFAOYSA-N	-2	0	327.318	-0.109	20	0		EBADRL
CS(C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCC2(CC(C(=O)[O-])C2)O1	ZINC001604948112	972517111	/nfs/dbraw/zinc/51/71/11/972517111.db2.gz	GAEJYKOJYDEKTA-INWMGODYSA-N	-2	0	340.423	-0.039	20	0		EBADRL
Cn1cc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])nn1	ZINC001605496373	973659890	/nfs/dbraw/zinc/65/98/90/973659890.db2.gz	BGHVJGIGYSDBPJ-IUCAKERBSA-N	-2	0	335.286	-0.089	20	0		EBADRL
C[C@@H](CS(=O)(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])C(=O)[O-]	ZINC001592816344	979514681	/nfs/dbraw/zinc/51/46/81/979514681.db2.gz	OPNQXTWLKWVZKH-JGVFFNPUSA-N	-2	0	339.366	-0.189	20	0		EBADRL
CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC001595131055	979547754	/nfs/dbraw/zinc/54/77/54/979547754.db2.gz	IVMJBPIMCMIJGQ-SECBINFHSA-N	-2	0	333.366	-0.238	20	0		EBADRL
C[C@@H](Cc1ccc(NC(=O)C(=O)NCc2nnn[n-]2)cc1)C(=O)[O-]	ZINC001592858108	979668922	/nfs/dbraw/zinc/66/89/22/979668922.db2.gz	OJJFYJSWKKELSY-QMMMGPOBSA-N	-2	0	332.320	-0.282	20	0		EBADRL
C[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])n1nnnc1C(C)(C)C	ZINC001589424037	986686279	/nfs/dbraw/zinc/68/62/79/986686279.db2.gz	QOYQLNRDYYWNPP-RQJHMYQMSA-N	-2	0	333.370	-0.549	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn2ccncc12	ZINC001589452803	986852173	/nfs/dbraw/zinc/85/21/73/986852173.db2.gz	ATQXMVPFMIZKML-SFYZADRCSA-N	-2	0	326.334	-0.102	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCn1cnccc1=O	ZINC001589453554	986863067	/nfs/dbraw/zinc/86/30/67/986863067.db2.gz	QHFJGMBBTXKYNX-BDAKNGLRSA-N	-2	0	331.350	-0.811	20	0		EBADRL
C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCn1ccccc1=O	ZINC001589454681	986882851	/nfs/dbraw/zinc/88/28/51/986882851.db2.gz	XFFQUPIFPHXIKI-ZJUUUORDSA-N	-2	0	330.362	-0.206	20	0		EBADRL
C[C@@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)CCc1nnn[n-]1	ZINC001594656243	986903477	/nfs/dbraw/zinc/90/34/77/986903477.db2.gz	KNISTOPFSGEIIY-YUMQZZPRSA-N	-2	0	342.381	-0.987	20	0		EBADRL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(CC(=O)C(C)(C)C)nn1	ZINC001589492606	987064469	/nfs/dbraw/zinc/06/44/69/987064469.db2.gz	VUFLBTNOFGILDV-SSDOTTSWSA-N	-2	0	346.365	-0.574	20	0		EBADRL
CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1	ZINC001594695198	987113193	/nfs/dbraw/zinc/11/31/93/987113193.db2.gz	IHMUPNGIWHLSOX-SECBINFHSA-N	-2	0	334.394	-0.198	20	0		EBADRL
CC(C)(CS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@]2(CCOC2)C1)C(=O)[O-]	ZINC001590789320	990612721	/nfs/dbraw/zinc/61/27/21/990612721.db2.gz	RECVHDLEVRGWEY-TVQRCGJNSA-N	-2	0	335.378	-0.150	20	0		EBADRL
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC(=O)[O-])CC1	ZINC001590841066	990710642	/nfs/dbraw/zinc/71/06/42/990710642.db2.gz	XKRKSJCNBAMIEZ-UHFFFAOYSA-N	-2	0	325.287	-0.328	20	0		EBADRL
CN(CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(=O)C1CC1	ZINC001598396586	991659429	/nfs/dbraw/zinc/65/94/29/991659429.db2.gz	OMMBXWXCCXCCBJ-UHFFFAOYSA-N	-2	0	347.374	-0.485	20	0		EBADRL
COc1nc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)cc(=O)[n-]1	ZINC001599731525	991715567	/nfs/dbraw/zinc/71/55/67/991715567.db2.gz	BASVMLLDIVSHSZ-JTQLQIEISA-N	-2	0	327.293	-0.427	20	0		EBADRL
CC(C)C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(=O)[O-]	ZINC001591143747	991872127	/nfs/dbraw/zinc/87/21/27/991872127.db2.gz	CYUFAOUCGLDYLF-VHSXEESVSA-N	-2	0	330.337	-0.839	20	0		EBADRL
C[S@@](=O)(=NS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1ccccc1	ZINC001599743291	991892317	/nfs/dbraw/zinc/89/23/17/991892317.db2.gz	GUGSHUJRKSLXSZ-NRFANRHFSA-N	-2	0	349.390	-0.822	20	0		EBADRL
CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1	ZINC001599749358	991970504	/nfs/dbraw/zinc/97/05/04/991970504.db2.gz	YSWLNZOVZLFBHE-UHFFFAOYSA-N	-2	0	338.363	-0.524	20	0		EBADRL
C[C@H](NC(=O)c1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001593175918	994050754	/nfs/dbraw/zinc/05/07/54/994050754.db2.gz	HBBKYLOKYIGKFC-VIFPVBQESA-N	-2	0	328.346	-0.274	20	0		EBADRL
COC(=O)[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)c1ccnn1C	ZINC001598708762	995321500	/nfs/dbraw/zinc/32/15/00/995321500.db2.gz	HWUNGQNRBKJIES-SNVBAGLBSA-N	-2	0	345.377	-0.192	20	0		EBADRL
COC(=O)CCS(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1	ZINC001598853690	996623779	/nfs/dbraw/zinc/62/37/79/996623779.db2.gz	LXBQOPJUYVIPOZ-UHFFFAOYSA-N	-2	0	329.330	-0.064	20	0		EBADRL
CO[C@H]1COCC[C@H]1CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-]	ZINC001599140405	998118666	/nfs/dbraw/zinc/11/86/66/998118666.db2.gz	RNOOECQNEXMRBP-UWVGGRQHSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COC(=O)c1cc(S(=O)(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)n[nH]1	ZINC001598952720	998184468	/nfs/dbraw/zinc/18/44/68/998184468.db2.gz	QJHASXPGRKYWIZ-SNVBAGLBSA-N	-2	0	347.349	-0.958	20	0		EBADRL
COc1ccc(CNC(=O)C(=O)N(C)CCC(=O)[O-])cc1C(=O)[O-]	ZINC001599564601	998262395	/nfs/dbraw/zinc/26/23/95/998262395.db2.gz	NLDMBZFGFDYHGI-UHFFFAOYSA-N	-2	0	338.316	-0.057	20	0		EBADRL
COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)no1	ZINC001599150686	998291969	/nfs/dbraw/zinc/29/19/69/998291969.db2.gz	ZSXCEERNKYNXME-NSHDSACASA-N	-2	0	336.322	-0.381	20	0		EBADRL
COCC(COC)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC001599165647	998537807	/nfs/dbraw/zinc/53/78/07/998537807.db2.gz	IMCAJIMLTZBZGQ-MGCOHNPYSA-N	-2	0	337.394	-0.015	20	0		EBADRL
COCCn1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])n1	ZINC001599270625	998540590	/nfs/dbraw/zinc/54/05/90/998540590.db2.gz	AIPSBBBQPUFARK-RKDXNWHRSA-N	-2	0	333.366	-0.302	20	0		EBADRL
COCCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cn1	ZINC001599272792	998566726	/nfs/dbraw/zinc/56/67/26/998566726.db2.gz	GVQWJRRVXDLOTN-UHFFFAOYSA-N	-2	0	329.338	-0.389	20	0		EBADRL
COCCn1cc(S(=O)(=O)[N-]c2ncn(CC(=O)[O-])n2)cn1	ZINC001599272920	998568179	/nfs/dbraw/zinc/56/81/79/998568179.db2.gz	OJZYWFYHWQPMCK-UHFFFAOYSA-N	-2	0	330.326	-0.994	20	0		EBADRL
C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)C[C@H]1C(=O)[O-]	ZINC001594393431	999482665	/nfs/dbraw/zinc/48/26/65/999482665.db2.gz	NYSXHLJKQFTIBH-YTWAJWBKSA-N	-2	0	342.348	-0.744	20	0		EBADRL
NC(=O)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1	ZINC001260217967	1130543029	/nfs/dbraw/zinc/54/30/29/1130543029.db2.gz	OUMILSRNLAUKBG-UHFFFAOYSA-N	-2	0	344.280	-0.516	20	0		EBADRL