smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1ccc(OC)c(OC)c1)C(=O)N[O-])C(C)(C)C	ZINC000013802330	562994323	/nfs/dbraw/zinc/99/43/23/562994323.db2.gz	BHBFUQWAFABBLJ-AYOQOUSVSA-N	-1	3	483.631	2.609	1	30		JFEFHM
CCSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C	ZINC000027084554	563039230	/nfs/dbraw/zinc/03/92/30/563039230.db2.gz	SHEWVLWCTJBHBX-UZLBHIALSA-N	-1	3	462.616	2.622	1	30		JFEFHM
Cc1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(C)C)C(=O)N[O-])cc1	ZINC000027103605	563040035	/nfs/dbraw/zinc/04/00/35/563040035.db2.gz	DRHDCVWPJRCUCJ-PKTZIBPZSA-N	-1	3	453.583	2.939	1	30		JFEFHM
CCCC[C@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)N[O-]	ZINC000028391005	563063567	/nfs/dbraw/zinc/06/35/67/563063567.db2.gz	DUGBETFCCFJFOR-GMAHTHKFSA-N	-1	3	480.558	2.985	1	30		JFEFHM
C=CC[C@]1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882570	563084817	/nfs/dbraw/zinc/08/48/17/563084817.db2.gz	GQABSLKKOHALCN-JOCHJYFZSA-N	-1	3	487.559	2.957	1	30		JFEFHM
CC#CCNc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)c3cccc(C)c3)C2)cc1	ZINC000028951530	563087158	/nfs/dbraw/zinc/08/71/58/563087158.db2.gz	ZUAUVLUKHSXGGD-VWLOTQADSA-N	-1	3	483.590	2.632	1	30		JFEFHM
CC#CCNc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)c3cccc(C)c3)C2)cc1	ZINC000028951529	563087223	/nfs/dbraw/zinc/08/72/23/563087223.db2.gz	ZUAUVLUKHSXGGD-RUZDIDTESA-N	-1	3	483.590	2.632	1	30		JFEFHM
Cc1cc(C2CCN(S(=O)(=O)C(C)(C)C(=O)N[O-])CC2)ccc1-c1cccc(OCCO)c1	ZINC000028970146	563089612	/nfs/dbraw/zinc/08/96/12/563089612.db2.gz	XMVZJCLXRBLZHB-UHFFFAOYSA-N	-1	3	476.595	2.826	1	30		JFEFHM
CC(C)(C)c1nn2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)N[O-])cc1	ZINC000029127107	563095427	/nfs/dbraw/zinc/09/54/27/563095427.db2.gz	KCBXQUWPZNVZIG-VQTJNVASSA-N	-1	3	450.539	2.863	1	30		JFEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)C(C)C)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129229	563096671	/nfs/dbraw/zinc/09/66/71/563096671.db2.gz	SVLPSGKSYVCBRQ-LADGPHEKSA-N	-1	3	490.560	2.840	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)C3CCCCC3)CC2)cc1	ZINC000036748596	563130707	/nfs/dbraw/zinc/13/07/07/563130707.db2.gz	HUBYDVFNYBGAGD-UHFFFAOYSA-N	-1	3	476.595	2.557	1	30		JFEFHM
Cn1ccc(-c2cc(COc3ccc(C[C@]4(C(N)=O)C[C@@H]4C(=O)N[O-])cc3F)c3ccccc3n2)n1	ZINC000040394727	563138874	/nfs/dbraw/zinc/13/88/74/563138874.db2.gz	RWXQTLWYBFBYNB-DWXRJYCRSA-N	-1	3	489.507	2.893	1	30		JFEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c(O)ccc([O-])c3C2=O)C(C)C)cc1	ZINC000040919277	563156625	/nfs/dbraw/zinc/15/66/25/563156625.db2.gz	JMCHPXJKKGWTRN-NRFANRHFSA-N	-1	3	473.503	2.583	1	30		JFEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c([O-])ccc(O)c3C2=O)C(C)C)cc1	ZINC000040919277	563156626	/nfs/dbraw/zinc/15/66/26/563156626.db2.gz	JMCHPXJKKGWTRN-NRFANRHFSA-N	-1	3	473.503	2.583	1	30		JFEFHM
C[C@@H](NS(=O)(=O)c1cccc(Br)c1)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000040934045	563157143	/nfs/dbraw/zinc/15/71/43/563157143.db2.gz	ZKPBIRXEWJIUKJ-SECBINFHSA-N	-1	3	452.282	2.533	1	30		JFEFHM
COc1ccc(CO[C@@H]2CCC([O-])=C(O)C(=O)C=CCc3cc(OC)cc(O)c3C(=O)O[C@H]2C)cc1	ZINC000049014170	563197053	/nfs/dbraw/zinc/19/70/53/563197053.db2.gz	PGTDAHNZQKKGDX-RMANVCDKSA-N	-1	3	498.528	2.804	1	30		JFEFHM
COc1ccc(CO[C@@H]2CCC(=O)C(O)=C([O-])C=CCc3cc(OC)cc(O)c3C(=O)O[C@H]2C)cc1	ZINC000049014170	563197055	/nfs/dbraw/zinc/19/70/55/563197055.db2.gz	PGTDAHNZQKKGDX-RMANVCDKSA-N	-1	3	498.528	2.804	1	30		JFEFHM
COc1c(-c2ccc3c(c2)CCC3=N[N-]S(C)(=O)=O)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C	ZINC000059185287	563208869	/nfs/dbraw/zinc/20/88/69/563208869.db2.gz	BSGREXYSTRLYNX-SZXQPVLSSA-N	-1	3	496.589	2.698	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CCSCc2cccnc2)C(=O)N[O-])cc1	ZINC000013863997	563003725	/nfs/dbraw/zinc/00/37/25/563003725.db2.gz	SSFOEYVZLXDDTG-HXUWFJFHSA-N	-1	3	467.613	2.934	1	30		JFEFHM
CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026566770	563029609	/nfs/dbraw/zinc/02/96/09/563029609.db2.gz	DDRIRFSIULAOBN-LEWJYISDSA-N	-1	3	452.511	2.796	1	30		JFEFHM
O=C(CCCSC[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccccc1)N[O-]	ZINC000026752044	563035330	/nfs/dbraw/zinc/03/53/30/563035330.db2.gz	IEHVIRKPYKEKNY-FQEVSTJZSA-N	-1	3	454.552	2.602	1	30		JFEFHM
CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc([O-])c(C#N)c3)c2C1=O	ZINC000028264812	563059541	/nfs/dbraw/zinc/05/95/41/563059541.db2.gz	NMNLLKYIXYCGII-LJQANCHMSA-N	-1	3	456.506	2.780	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3NCCC[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000028382633	563063003	/nfs/dbraw/zinc/06/30/03/563063003.db2.gz	QDMJDGKLXWJUSU-JTHBVZDNSA-N	-1	3	469.563	2.770	1	30		JFEFHM
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)Nc2nc(CC(=O)N[O-])cs2)n1	ZINC000028458854	563064395	/nfs/dbraw/zinc/06/43/95/563064395.db2.gz	ZABQHWUKKILDGH-UHFFFAOYSA-N	-1	3	470.507	2.888	1	30		JFEFHM
CN[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C/C1=N\OCc1ccccc1	ZINC000028708579	563075831	/nfs/dbraw/zinc/07/58/31/563075831.db2.gz	DDLZUPNDRPMGNQ-FFWDNNOUSA-N	-1	3	479.512	2.940	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(c3nc4ccccc4n3C)CC2)cc1	ZINC000028816890	563079590	/nfs/dbraw/zinc/07/95/90/563079590.db2.gz	GFRCZBUEHADXTC-UHFFFAOYSA-N	-1	3	496.589	2.541	1	30		JFEFHM
CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000028821953	563080885	/nfs/dbraw/zinc/08/08/85/563080885.db2.gz	LBHPINDOHXBHHL-UKILVPOCSA-N	-1	3	456.546	2.693	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)c3ccccc3C)C2)cc1	ZINC000028951492	563087161	/nfs/dbraw/zinc/08/71/61/563087161.db2.gz	SQWKFISUTRRKSE-VWLOTQADSA-N	-1	3	484.574	2.599	1	30		JFEFHM
CN1C(=O)N(CC[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029331380	563100589	/nfs/dbraw/zinc/10/05/89/563100589.db2.gz	RNHVOKXLHUNLLK-FQEVSTJZSA-N	-1	3	450.495	2.883	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@@H](CC(=O)N[O-])CN(C)C(=O)c2ccccc2)cc1OC1CCCC1	ZINC000029398880	563102429	/nfs/dbraw/zinc/10/24/29/563102429.db2.gz	QFRQMCKTBBVNQA-FQEVSTJZSA-N	-1	3	490.578	2.827	1	30		JFEFHM
CC(=O)N1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1	ZINC000038270392	563133766	/nfs/dbraw/zinc/13/37/66/563133766.db2.gz	VOYWXVODQDUTJD-UHFFFAOYSA-N	-1	3	497.573	2.782	1	30		JFEFHM
C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000040935258	563157623	/nfs/dbraw/zinc/15/76/23/563157623.db2.gz	XXGQHFNSUZESDR-VIFPVBQESA-N	-1	3	452.282	2.533	1	30		JFEFHM
CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(=O)C(F)F)C[C@@]1(C)N	ZINC000045286195	563183970	/nfs/dbraw/zinc/18/39/70/563183970.db2.gz	XVCBKZPVZKWONM-PLIDZJGOSA-N	-1	3	494.470	2.942	1	30		JFEFHM
CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(C)=O)C[C@@]1(C)N	ZINC000045286715	563184042	/nfs/dbraw/zinc/18/40/42/563184042.db2.gz	FTBFZQJKXDHDFM-WBXJAQJHSA-N	-1	3	458.490	2.696	1	30		JFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594123	560064559	/nfs/dbraw/zinc/06/45/59/560064559.db2.gz	OWVSZJWTHVFBSU-GNMOFYLKSA-N	-1	3	494.544	2.749	1	30	biogenic,in-vitro	JFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594123	560064561	/nfs/dbraw/zinc/06/45/61/560064561.db2.gz	OWVSZJWTHVFBSU-GNMOFYLKSA-N	-1	3	494.544	2.749	1	30	biogenic,in-vitro	JFEFHM
O=C(C[C@@H](Cc1ccc(-c2ccccc2CO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)N[O-]	ZINC000013436303	562962438	/nfs/dbraw/zinc/96/24/38/562962438.db2.gz	KRMDDILTPWLCKE-QQSVUBKYSA-N	-1	3	460.530	2.675	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](Cc2ccc(O)cc2)C(=O)N[O-])cc1	ZINC000013764146	562990479	/nfs/dbraw/zinc/99/04/79/562990479.db2.gz	AZLPLQRRFWWDQE-JOCHJYFZSA-N	-1	3	456.520	2.708	1	30		JFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccn1	ZINC000013776910	562991131	/nfs/dbraw/zinc/99/11/31/562991131.db2.gz	HYGHKRXESWZJHZ-JPYJTQIMSA-N	-1	3	479.581	2.507	1	30		JFEFHM
CSCCNC(=O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000026178871	563023638	/nfs/dbraw/zinc/02/36/38/563023638.db2.gz	QPPXLNJKZJGLRN-HBMCJLEFSA-N	-1	3	479.643	2.540	1	30		JFEFHM
Cc1ccc(CCNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)C(=O)N[O-])cc1	ZINC000027103608	563040037	/nfs/dbraw/zinc/04/00/37/563040037.db2.gz	DRHDCVWPJRCUCJ-GOTSBHOMSA-N	-1	3	453.583	2.939	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3NCCC[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000028382628	563062980	/nfs/dbraw/zinc/06/29/80/563062980.db2.gz	QDMJDGKLXWJUSU-GMAHTHKFSA-N	-1	3	469.563	2.770	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)c3cccc(C)c3)C2)cc1	ZINC000028951495	563087167	/nfs/dbraw/zinc/08/71/67/563087167.db2.gz	RYUNWXPVOIGBCD-VWLOTQADSA-N	-1	3	484.574	2.599	1	30		JFEFHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)cc1	ZINC000028953703	563088021	/nfs/dbraw/zinc/08/80/21/563088021.db2.gz	MFACBWNERQHKIK-QHCPKHFHSA-N	-1	3	474.604	2.971	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@H](CC(=O)N[O-])CN(C)C(=O)c2ccccc2)cc1OC1CCCC1	ZINC000029398877	563102445	/nfs/dbraw/zinc/10/24/45/563102445.db2.gz	QFRQMCKTBBVNQA-HXUWFJFHSA-N	-1	3	490.578	2.827	1	30		JFEFHM
CCOC(=O)[C@H](N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(C)cc1)C(C)C	ZINC000058564063	563207407	/nfs/dbraw/zinc/20/74/07/563207407.db2.gz	OPGSNPNRUGLOHW-BXEITRIKSA-N	-1	3	488.474	2.701	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3CCN(C)C[C@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000058648969	563208560	/nfs/dbraw/zinc/20/85/60/563208560.db2.gz	UJCQVXJYOKSWGB-FDDCHVKYSA-N	-1	3	483.590	2.969	1	30		JFEFHM
Cc1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594126	560064602	/nfs/dbraw/zinc/06/46/02/560064602.db2.gz	OWVSZJWTHVFBSU-LGVUCKNBSA-N	-1	3	494.544	2.749	1	30	biogenic,in-vitro	JFEFHM
Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594126	560064604	/nfs/dbraw/zinc/06/46/04/560064604.db2.gz	OWVSZJWTHVFBSU-LGVUCKNBSA-N	-1	3	494.544	2.749	1	30	biogenic,in-vitro	JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3CN(C)CC[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000003818002	562929084	/nfs/dbraw/zinc/92/90/84/562929084.db2.gz	ZLXSMXRIMOZSHG-XXBNENTESA-N	-1	3	483.590	2.969	1	30		JFEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)Nc2ccccc2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579090	563031223	/nfs/dbraw/zinc/03/12/23/563031223.db2.gz	TUXNXHXUXJGQEC-ZCNNSNEGSA-N	-1	3	476.574	2.584	1	30		JFEFHM
O=C(C[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)N[O-]	ZINC000026719055	563033774	/nfs/dbraw/zinc/03/37/74/563033774.db2.gz	QLLHBFHVPQQFRB-ZEQRLZLVSA-N	-1	3	459.546	2.785	1	30		JFEFHM
CSc1nccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C[C@H]3C(=O)N[O-])s2)n1	ZINC000027520747	563044935	/nfs/dbraw/zinc/04/49/35/563044935.db2.gz	WYWULSIANADMTA-HNNXBMFYSA-N	-1	3	462.578	2.548	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc(Br)nc2)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000028865168	563083621	/nfs/dbraw/zinc/08/36/21/563083621.db2.gz	SFWRCXWXHAIKBP-QGZVFWFLSA-N	-1	3	472.361	2.574	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)c3cccc(C)c3)C2)cc1	ZINC000028951494	563087215	/nfs/dbraw/zinc/08/72/15/563087215.db2.gz	RYUNWXPVOIGBCD-RUZDIDTESA-N	-1	3	484.574	2.599	1	30		JFEFHM
CC(F)(F)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)N[O-])cc1	ZINC000029038080	563090704	/nfs/dbraw/zinc/09/07/04/563090704.db2.gz	QCELJPBZUJYPIW-DLBZAZTESA-N	-1	3	458.465	2.837	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@H](CCC(=O)N2CCCc3ccccc32)CC(=O)N[O-])cc1OC	ZINC000029400968	563102509	/nfs/dbraw/zinc/10/25/09/563102509.db2.gz	KRFIIEPIJNLUBA-GOSISDBHSA-N	-1	3	476.551	2.501	1	30		JFEFHM
CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(=O)C(F)F)C[C@]1(C)N	ZINC000045286197	563183972	/nfs/dbraw/zinc/18/39/72/563183972.db2.gz	XVCBKZPVZKWONM-FJLJVCJUSA-N	-1	3	494.470	2.942	1	30		JFEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)OC(C)(C)C)ccc3C[C@H]2C(=O)N[O-])cc1	ZINC000001489009	562920318	/nfs/dbraw/zinc/92/03/18/562920318.db2.gz	PBJWRLBRUGJQMR-IBGZPJMESA-N	-1	3	477.539	2.663	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3CN(C)CC[C@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000006013425	562936394	/nfs/dbraw/zinc/93/63/94/562936394.db2.gz	ZLXSMXRIMOZSHG-WMZHIEFXSA-N	-1	3	483.590	2.969	1	30		JFEFHM
O=C(CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[O-]	ZINC000010450278	562957263	/nfs/dbraw/zinc/95/72/63/562957263.db2.gz	GBQQHIUTXSUOPE-UHFFFAOYSA-N	-1	3	462.290	2.750	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc2cccs2)C(=O)N[O-])cc1	ZINC000013440789	562963118	/nfs/dbraw/zinc/96/31/18/562963118.db2.gz	PGEHBYYTLWHQOM-LJQANCHMSA-N	-1	3	490.559	2.793	1	30	in-vitro	JFEFHM
O=C(N[O-])[C@H]1Cc2cc(O)c(O)cc2CN1S(=O)(=O)c1ccc(OCCCc2ccccc2)cc1	ZINC000013472393	562965948	/nfs/dbraw/zinc/96/59/48/562965948.db2.gz	FLXHATWWZLYZFU-JOCHJYFZSA-N	-1	3	498.557	2.730	1	30		JFEFHM
O=C(N[O-])[C@@H]1CN(C(=O)c2ccccc2)CCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013561007	562975486	/nfs/dbraw/zinc/97/54/86/562975486.db2.gz	AOPSFGSGYVNAEJ-QHCPKHFHSA-N	-1	3	495.557	2.890	1	30		JFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nccs1	ZINC000013776916	562991139	/nfs/dbraw/zinc/99/11/39/562991139.db2.gz	VXXBOZLJRUCYLE-BEFAXECRSA-N	-1	3	471.583	2.526	1	30		JFEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)C3CCCCC3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013818597	562997039	/nfs/dbraw/zinc/99/70/39/562997039.db2.gz	XJFYJIMKKGZKGX-JOCHJYFZSA-N	-1	3	487.578	2.687	1	30		JFEFHM
O=C(CCCSC[C@H](NC(=O)c1ccc(F)cc1Cl)C(=O)NCc1ccccc1)N[O-]	ZINC000026815886	563035485	/nfs/dbraw/zinc/03/54/85/563035485.db2.gz	AISDNYRZMDQEKD-SFHVURJKSA-N	-1	3	467.950	2.913	1	30		JFEFHM
O=C(N[O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Br)c(Br)s1	ZINC000027522044	563045030	/nfs/dbraw/zinc/04/50/30/563045030.db2.gz	YOFBHXUFTFPQDW-NSHDSACASA-N	-1	3	496.202	2.894	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(Cc2cccnc2Br)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000028865138	563083578	/nfs/dbraw/zinc/08/35/78/563083578.db2.gz	DFWYBNIMFAUWSX-MRXNPFEDSA-N	-1	3	472.361	2.574	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@@H](CCCC(=O)N2CCCc3ccccc32)CC(=O)N[O-])cc1OC	ZINC000029393980	563101961	/nfs/dbraw/zinc/10/19/61/563101961.db2.gz	ALKGLLLPQJKCRV-SFHVURJKSA-N	-1	3	490.578	2.891	1	30		JFEFHM
COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)N[O-])cc3CN2C(=O)OC(C)(C)C)cc1	ZINC000045370503	563193672	/nfs/dbraw/zinc/19/36/72/563193672.db2.gz	BFTWYQHIZIQXJD-FQEVSTJZSA-N	-1	3	471.510	2.880	1	30		JFEFHM
COc1ccccc1C1CCN(c2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)CC1	ZINC000049047406	563199515	/nfs/dbraw/zinc/19/95/15/563199515.db2.gz	DPDYQDPIBOABCX-UHFFFAOYSA-N	-1	3	474.579	2.908	1	30		JFEFHM
O=C(N[O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(Br)c(Br)s1	ZINC000013797768	562993433	/nfs/dbraw/zinc/99/34/33/562993433.db2.gz	YOFBHXUFTFPQDW-LLVKDONJSA-N	-1	3	496.202	2.894	1	30		JFEFHM
CN(C)c1cccc2c1cccc2S(=O)(=O)N(CC(=O)N[O-])Cc1ccc([N+](=O)[O-])cc1	ZINC000013808297	562995569	/nfs/dbraw/zinc/99/55/69/562995569.db2.gz	UALGGXUAYUNRBS-UHFFFAOYSA-N	-1	3	458.496	2.510	1	30		JFEFHM
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSc1cccs1)C(=O)N[O-]	ZINC000027082271	563039041	/nfs/dbraw/zinc/03/90/41/563039041.db2.gz	ZCJSXQVUNXJVQQ-SQNIBIBYSA-N	-1	3	463.625	2.837	1	30		JFEFHM
COc1ccc(OC(=O)Nc2cccc(S(=O)(=O)N3Cc4ccccc4C[C@H]3C(=O)N[O-])c2)cc1	ZINC000027522629	563045110	/nfs/dbraw/zinc/04/51/10/563045110.db2.gz	IGJDRNDPWLIBBQ-QFIPXVFZSA-N	-1	3	497.529	2.927	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3[C@H](C(=O)N[O-])CCN3C)cc2)c2ccccc2n1	ZINC000028372144	563062414	/nfs/dbraw/zinc/06/24/14/563062414.db2.gz	QPQUYVHWOXJEPM-GGAORHGYSA-N	-1	3	469.563	2.722	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)c3ccc(C)cc3)C2)cc1	ZINC000028951499	563087205	/nfs/dbraw/zinc/08/72/05/563087205.db2.gz	LEMMSOIQHPOJRA-VWLOTQADSA-N	-1	3	484.574	2.599	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)c3ccc(C)cc3)C2)cc1	ZINC000028951497	563087230	/nfs/dbraw/zinc/08/72/30/563087230.db2.gz	LEMMSOIQHPOJRA-RUZDIDTESA-N	-1	3	484.574	2.599	1	30		JFEFHM
C=CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029130239	563096931	/nfs/dbraw/zinc/09/69/31/563096931.db2.gz	CNSXDPYRIAFYKG-LADGPHEKSA-N	-1	3	460.534	2.844	1	30		JFEFHM
CCN1C(=O)N(C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029340129	563100975	/nfs/dbraw/zinc/10/09/75/563100975.db2.gz	XJIQVSMHQQCBEO-FQEVSTJZSA-N	-1	3	450.495	2.883	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@@H](CCCCc2ccc3c(c2)OCO3)CC(=O)N[O-])cc1OC	ZINC000029396042	563102158	/nfs/dbraw/zinc/10/21/58/563102158.db2.gz	QXMYNGZVAQOGPB-INIZCTEOSA-N	-1	3	465.524	2.883	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3CCN(C)C[C@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000038382722	563134132	/nfs/dbraw/zinc/13/41/32/563134132.db2.gz	UJCQVXJYOKSWGB-WZONZLPQSA-N	-1	3	483.590	2.969	1	30		JFEFHM
O=C(CCCCC[C@H](NC(=O)c1cc2c(cccc2O)[nH]1)C(=O)NCc1ccccc1)N[O-]	ZINC000040577087	563146583	/nfs/dbraw/zinc/14/65/83/563146583.db2.gz	FJWBETHOFXKFAX-IBGZPJMESA-N	-1	3	452.511	2.744	1	30		JFEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCC(c4ccccc4O)CC3)cc2)CCOCC1	ZINC000049047879	563199609	/nfs/dbraw/zinc/19/96/09/563199609.db2.gz	FSVPEOOPDJVOOW-UHFFFAOYSA-N	-1	3	460.552	2.605	1	30		JFEFHM
N#Cc1ccc(-c2ccc(OC[C@H](CCn3nnc4ccccc4c3=O)C(=O)N[O-])cc2)cc1	ZINC000000602957	562918559	/nfs/dbraw/zinc/91/85/59/562918559.db2.gz	ITDDXQSXMTUIFM-FQEVSTJZSA-N	-1	3	455.474	2.921	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3CN(C)CC[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000003818003	562929035	/nfs/dbraw/zinc/92/90/35/562929035.db2.gz	ZLXSMXRIMOZSHG-CVDCTZTESA-N	-1	3	483.590	2.969	1	30		JFEFHM
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)N[O-]	ZINC000003821311	562929333	/nfs/dbraw/zinc/92/93/33/562929333.db2.gz	BIDYRGOZWOVNRZ-BCQCSXDESA-N	-1	3	484.593	2.951	1	30		JFEFHM
CC(=O)N1CC[C@H](C(=O)Nc2ccc(COc3ccnc4ccccc43)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013587715	562977238	/nfs/dbraw/zinc/97/72/38/562977238.db2.gz	DTKRCIBCJDXQMT-FPOVZHCZSA-N	-1	3	462.506	2.742	1	30		JFEFHM
CC(C)(C)OC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)N[O-])Cc2ccc([N+](=O)[O-])cc2)c1	ZINC000013808277	562995495	/nfs/dbraw/zinc/99/54/95/562995495.db2.gz	RSMQCSLXBNSQJJ-UHFFFAOYSA-N	-1	3	480.499	2.638	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCSCc2cccnc2)C(=O)N[O-])cc1	ZINC000013863996	563003710	/nfs/dbraw/zinc/00/37/10/563003710.db2.gz	SSFOEYVZLXDDTG-FQEVSTJZSA-N	-1	3	467.613	2.934	1	30		JFEFHM
COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(C(=O)[N-]O)c1OC	ZINC000026497747	563028824	/nfs/dbraw/zinc/02/88/24/563028824.db2.gz	QTBRRNPXGRIPDP-UHFFFAOYSA-N	-1	3	470.931	2.708	1	30		JFEFHM
CC[C@H](C)[C@@H](NC(=O)NCCc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[O-]	ZINC000026500068	563029092	/nfs/dbraw/zinc/02/90/92/563029092.db2.gz	NGYOTYKXPJVPRK-JJEOQYAHSA-N	-1	3	479.581	2.657	1	30		JFEFHM
CSCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C	ZINC000027085113	563039190	/nfs/dbraw/zinc/03/91/90/563039190.db2.gz	MYYKGGHSHAEJSU-UZLBHIALSA-N	-1	3	462.616	2.622	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)N[O-])COC3)cc2)c2ccccc2n1	ZINC000028351242	563061039	/nfs/dbraw/zinc/06/10/39/563061039.db2.gz	JTEXDSSTTHRJGK-UHFFFAOYSA-N	-1	3	456.520	2.808	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3NCCC[C@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000028382637	563063022	/nfs/dbraw/zinc/06/30/22/563063022.db2.gz	QDMJDGKLXWJUSU-GGAORHGYSA-N	-1	3	469.563	2.770	1	30		JFEFHM
CS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)c1	ZINC000028953697	563087998	/nfs/dbraw/zinc/08/79/98/563087998.db2.gz	ROQPXSVJMSAZEW-HSZRJFAPSA-N	-1	3	474.604	2.971	1	30		JFEFHM
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccccc3)C2)cc1	ZINC000028953701	563088018	/nfs/dbraw/zinc/08/80/18/563088018.db2.gz	MFACBWNERQHKIK-HSZRJFAPSA-N	-1	3	474.604	2.971	1	30		JFEFHM
Cc1cc(COc2cccc([C@@]3(C(=O)N4CCN(C)CC4)C[C@H]3C(=O)N[O-])c2)c2ccccc2n1	ZINC000029135379	563098136	/nfs/dbraw/zinc/09/81/36/563098136.db2.gz	XACGDVHRXILWLO-HOFKKMOUSA-N	-1	3	474.561	2.659	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@H](CCCCc2ccc3c(c2)OCO3)CC(=O)N[O-])cc1OC	ZINC000029396045	563102202	/nfs/dbraw/zinc/10/22/02/563102202.db2.gz	QXMYNGZVAQOGPB-MRXNPFEDSA-N	-1	3	465.524	2.883	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3ccc(C)cc3)CC2)cc1	ZINC000034801899	563115866	/nfs/dbraw/zinc/11/58/66/563115866.db2.gz	KRGBAILWDVNOCW-UHFFFAOYSA-N	-1	3	484.574	2.599	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3ccccc3C)CC2)cc1	ZINC000034801891	563115886	/nfs/dbraw/zinc/11/58/86/563115886.db2.gz	LWFCUEQJXZSHMP-UHFFFAOYSA-N	-1	3	484.574	2.599	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)N(C)c3ccccc3)CC2)cc1	ZINC000034802400	563115971	/nfs/dbraw/zinc/11/59/71/563115971.db2.gz	WXIYDIUGDDBCAM-UHFFFAOYSA-N	-1	3	499.589	2.706	1	30		JFEFHM
CCO/N=C1/CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)C[C@]1(C)N	ZINC000045291834	563185035	/nfs/dbraw/zinc/18/50/35/563185035.db2.gz	NYGPQPZZWVEYAD-FVEJEDPZSA-N	-1	3	489.454	2.821	1	30		JFEFHM
CCCC[C@H](CC(=O)N[O-])C(=O)N[C@H](c1nc2cc(C(=O)N3CCOCC3)ccc2[nH]1)C(C)C	ZINC000045497174	563196014	/nfs/dbraw/zinc/19/60/14/563196014.db2.gz	XVHKWSXBSGNELH-IERDGZPVSA-N	-1	3	473.574	2.551	1	30		JFEFHM
C[C@@H]1CCC([O-])=C(O)C(=O)C=CCc2cc(OCCNc3ccccn3)cc(O)c2C(=O)O[C@H]1C	ZINC000049071588	563201377	/nfs/dbraw/zinc/20/13/77/563201377.db2.gz	OUTAOFSQGMSHNJ-SEJQHQNESA-N	-1	3	482.533	2.724	1	30		JFEFHM
C[C@@H]1CCC(=O)C(O)=C([O-])C=CCc2cc(OCCNc3ccccn3)cc(O)c2C(=O)O[C@H]1C	ZINC000049071588	563201378	/nfs/dbraw/zinc/20/13/78/563201378.db2.gz	OUTAOFSQGMSHNJ-SEJQHQNESA-N	-1	3	482.533	2.724	1	30		JFEFHM
COc1ccc2c(c1)c(/C=C1\Oc3cc([O-])cc(O)c3C1=O)cn2CCCN1CCN(CCO)CC1	ZINC000049073374	563201556	/nfs/dbraw/zinc/20/15/56/563201556.db2.gz	XZLMDULFAHJEDT-MXAYSNPKSA-N	-1	3	493.560	2.677	1	30		JFEFHM
N#Cc1ccc(-c2ccc(OC[C@@H](CCn3nnc4ccccc4c3=O)C(=O)N[O-])cc2)cc1	ZINC000011688598	562957572	/nfs/dbraw/zinc/95/75/72/562957572.db2.gz	ITDDXQSXMTUIFM-HXUWFJFHSA-N	-1	3	455.474	2.921	1	30		JFEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)C3CCCCC3)C[C@H]2C(=O)N[O-])cc1	ZINC000013818599	562997034	/nfs/dbraw/zinc/99/70/34/562997034.db2.gz	XJFYJIMKKGZKGX-QFIPXVFZSA-N	-1	3	487.578	2.687	1	30		JFEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000026375735	563025992	/nfs/dbraw/zinc/02/59/92/563025992.db2.gz	VFZIJJKDJJPVIT-OAHLLOKOSA-N	-1	3	472.523	2.899	1	30		JFEFHM
CS(=O)(=O)N(C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1)C1CCCC1	ZINC000026731325	563034258	/nfs/dbraw/zinc/03/42/58/563034258.db2.gz	ARFFCGXUOISSHZ-UXHICEINSA-N	-1	3	457.637	2.521	1	30		JFEFHM
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c[nH]c2ccccc21)[C@H](O)C(=O)N[O-]	ZINC000026966755	563038182	/nfs/dbraw/zinc/03/81/82/563038182.db2.gz	IOTJDDOXTYOJJN-JZWVFAODSA-N	-1	3	451.523	2.607	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3CCN(C)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000028355762	563061452	/nfs/dbraw/zinc/06/14/52/563061452.db2.gz	UJCQVXJYOKSWGB-JPYJTQIMSA-N	-1	3	483.590	2.969	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3[C@@H](C(=O)N[O-])CCN3C)cc2)c2ccccc2n1	ZINC000028372150	563062400	/nfs/dbraw/zinc/06/24/00/563062400.db2.gz	QPQUYVHWOXJEPM-GMAHTHKFSA-N	-1	3	469.563	2.722	1	30		JFEFHM
Cc1cc(COc2ccc(CCN3[C@@H](C(=O)N[O-])CCS3(=O)=O)cc2)c2ccccc2n1	ZINC000028569531	563070498	/nfs/dbraw/zinc/07/04/98/563070498.db2.gz	OZLFXWYCUHTSQI-JOCHJYFZSA-N	-1	3	455.536	2.574	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(CC(=O)N[O-])OCc2ccc(OCc3ccccc3)cc2)cc1	ZINC000028647447	563073549	/nfs/dbraw/zinc/07/35/49/563073549.db2.gz	PJOVXZAUKZMBRM-UHFFFAOYSA-N	-1	3	472.519	2.902	1	30		JFEFHM
CS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccccc3)C2)c1	ZINC000028953699	563088005	/nfs/dbraw/zinc/08/80/05/563088005.db2.gz	ROQPXSVJMSAZEW-QHCPKHFHSA-N	-1	3	474.604	2.971	1	30		JFEFHM
CC(C)(F)c1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)N[O-])cc1	ZINC000029038072	563090675	/nfs/dbraw/zinc/09/06/75/563090675.db2.gz	NYOFYADPNAWQIO-ZWKOTPCHSA-N	-1	3	454.502	2.930	1	30		JFEFHM
N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CNCCO)CC3)cc2C2=CCCCC2)[n-]1	ZINC000035881778	563121108	/nfs/dbraw/zinc/12/11/08/563121108.db2.gz	UFIPENMOPMVCOL-UHFFFAOYSA-N	-1	3	476.581	2.779	1	30		JFEFHM
N#Cc1c[n-]c(C(=O)Nc2ccc(C3CCN(C(=O)CNCCO)CC3)cc2C2=CCCCC2)n1	ZINC000035881778	563121110	/nfs/dbraw/zinc/12/11/10/563121110.db2.gz	UFIPENMOPMVCOL-UHFFFAOYSA-N	-1	3	476.581	2.779	1	30		JFEFHM
O=C(CCCCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccncc1)N[O-]	ZINC000040575830	563146430	/nfs/dbraw/zinc/14/64/30/563146430.db2.gz	FMFOMQLZFMWGSC-SFHVURJKSA-N	-1	3	477.359	2.715	1	30		JFEFHM
O=C(CCCCC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccccn1)N[O-]	ZINC000040764450	563148328	/nfs/dbraw/zinc/14/83/28/563148328.db2.gz	VMVICLVVTRYDPA-SFHVURJKSA-N	-1	3	477.359	2.715	1	30		JFEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c(O)ccc([O-])c3C2=O)C(C)C)cc1	ZINC000040919276	563156647	/nfs/dbraw/zinc/15/66/47/563156647.db2.gz	JMCHPXJKKGWTRN-OAQYLSRUSA-N	-1	3	473.503	2.583	1	30		JFEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c([O-])ccc(O)c3C2=O)C(C)C)cc1	ZINC000040919276	563156649	/nfs/dbraw/zinc/15/66/49/563156649.db2.gz	JMCHPXJKKGWTRN-OAQYLSRUSA-N	-1	3	473.503	2.583	1	30		JFEFHM
Cn1cc(/C=C2\Oc3cccc([O-])c3C2=O)c2c1nccc2N1CCC(C(=O)N2CCOCC2)CC1	ZINC000049112031	563202392	/nfs/dbraw/zinc/20/23/92/563202392.db2.gz	CFYIBWFGBQGKRX-JCMHNJIXSA-N	-1	3	488.544	2.970	1	30		JFEFHM
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)N[O-]	ZINC000003821408	562929354	/nfs/dbraw/zinc/92/93/54/562929354.db2.gz	QLLHBFHVPQQFRB-RPWUZVMVSA-N	-1	3	459.546	2.785	1	30		JFEFHM
COC(=O)N[C@H](C(=O)N[O-])[C@H]1CCN(c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1=O	ZINC000013490350	562969240	/nfs/dbraw/zinc/96/92/40/562969240.db2.gz	SBXPRGGYMRGODQ-IRLDBZIGSA-N	-1	3	478.505	2.705	1	30		JFEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000013840113	563001700	/nfs/dbraw/zinc/00/17/00/563001700.db2.gz	SBRFLKPLBFUQNN-HNNXBMFYSA-N	-1	3	472.523	2.899	1	30		JFEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@@H]3C[C@]213	ZINC000015148479	563011348	/nfs/dbraw/zinc/01/13/48/563011348.db2.gz	VQNATVDKACXKTF-VDBVYFBLSA-N	-1	3	477.473	2.802	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3CCN(C)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000028355753	563061471	/nfs/dbraw/zinc/06/14/71/563061471.db2.gz	UJCQVXJYOKSWGB-MBSDFSHPSA-N	-1	3	483.590	2.969	1	30		JFEFHM
C#CN1CC[C@H](C(=O)N[O-])[C@H](CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1	ZINC000028377984	563062834	/nfs/dbraw/zinc/06/28/34/563062834.db2.gz	VACPECYZKUSTIV-RDPSFJRHSA-N	-1	3	493.585	2.930	1	30		JFEFHM
Cc1nc2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000029038015	563090613	/nfs/dbraw/zinc/09/06/13/563090613.db2.gz	WMWPLQAXVKBJIC-PZJWPPBQSA-N	-1	3	493.564	2.864	1	30		JFEFHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cc2c(C(F)(F)F)nc3ccccn32)cc1	ZINC000029127148	563095389	/nfs/dbraw/zinc/09/53/89/563095389.db2.gz	UWFRWYGMHWPIMQ-JKSUJKDBSA-N	-1	3	462.428	2.584	1	30		JFEFHM
Cc1ccc(Oc2ccc(N(C[C@H](O)C(=O)N[O-])S(=O)(=O)Cc3ccccc3)cc2)cc1	ZINC000029127835	563095895	/nfs/dbraw/zinc/09/58/95/563095895.db2.gz	KWWODZMHQNKZHP-QFIPXVFZSA-N	-1	3	456.520	2.990	1	30		JFEFHM
CN(C)c1ccc(C(=O)CCCOc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)cc1	ZINC000034313258	563113121	/nfs/dbraw/zinc/11/31/21/563113121.db2.gz	CADOQGNFDXDEHI-UHFFFAOYSA-N	-1	3	490.578	2.623	1	30		JFEFHM
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(-c3cc(CO)cc(CO)c3)nn2)c1)N[O-]	ZINC000049067065	563200779	/nfs/dbraw/zinc/20/07/79/563200779.db2.gz	DAFYMIICLGKZQP-UHFFFAOYSA-N	-1	3	467.526	2.703	1	30		JFEFHM
CC(=O)Oc1c([O-])c(C[C@H](C)O)c(O)c2c1[C@@]1(C)C[C@@H](OC(C)=O)CC(C)(C)C1C(=O)C2=O	ZINC000095919420	560054465	/nfs/dbraw/zinc/05/44/65/560054465.db2.gz	ZLPMIHAVSWBSMF-JBGCUMCUSA-N	-1	3	462.495	2.964	1	30	biogenic,in-vitro	JFEFHM
CC(=O)Oc1c(O)c(C[C@H](C)O)c([O-])c2c1[C@@]1(C)C[C@@H](OC(C)=O)CC(C)(C)C1C(=O)C2=O	ZINC000095919420	560054466	/nfs/dbraw/zinc/05/44/66/560054466.db2.gz	ZLPMIHAVSWBSMF-JBGCUMCUSA-N	-1	3	462.495	2.964	1	30	biogenic,in-vitro	JFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O	ZINC000003811057	562928778	/nfs/dbraw/zinc/92/87/78/562928778.db2.gz	GCBPAPVOMPJQHK-NQIIRXRSSA-N	-1	3	456.587	2.917	1	30	in-vivo	JFEFHM
N=NC([N-]S(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cs1)Nc1ccc(Cl)cc1	ZINC000006010076	562936304	/nfs/dbraw/zinc/93/63/04/562936304.db2.gz	RIRLASHQKOJUFP-UHFFFAOYSA-N	-1	3	470.985	2.854	1	30		JFEFHM
C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC(=O)C(=O)N[O-])c1ccccc1	ZINC000013439909	562962902	/nfs/dbraw/zinc/96/29/02/562962902.db2.gz	BNPMWDDIMRPKMZ-JTSKRJEESA-N	-1	3	489.532	2.741	1	30		JFEFHM
O=C[C@H](Cc1ccccc1)NC(=O)[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1cccs1	ZINC000013780260	562991791	/nfs/dbraw/zinc/99/17/91/562991791.db2.gz	LFTKRPRIIZDTJY-LEWJYISDSA-N	-1	3	472.588	2.538	1	30		JFEFHM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026501112	563029116	/nfs/dbraw/zinc/02/91/16/563029116.db2.gz	CTXUBBUSWZWRHF-RTWAWAEBSA-N	-1	3	452.511	2.652	1	30		JFEFHM
CC(C)SC[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1	ZINC000026670714	563033320	/nfs/dbraw/zinc/03/33/20/563033320.db2.gz	IBZIBQHVQYZSAY-SFTDATJTSA-N	-1	3	457.596	2.684	1	30		JFEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3ccccc3C)CC2)cc1	ZINC000028861984	563083192	/nfs/dbraw/zinc/08/31/92/563083192.db2.gz	IHSDOJRAORURAS-UHFFFAOYSA-N	-1	3	483.590	2.632	1	30		JFEFHM
Cc1ccc(Oc2ccc(N(C[C@@H](C(=O)N[O-])N3C[C@@H](C)O[C@@H](C)C3)S(C)(=O)=O)cc2)cc1	ZINC000029039962	563091264	/nfs/dbraw/zinc/09/12/64/563091264.db2.gz	QFDKCGXVQVJGKD-SVMVAKDDSA-N	-1	3	477.583	2.537	1	30		JFEFHM
COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)N[O-])cc1	ZINC000029127881	563095985	/nfs/dbraw/zinc/09/59/85/563095985.db2.gz	RVZYPCNWXCGBGD-INIZCTEOSA-N	-1	3	491.331	2.609	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@@H](CCC(=O)N2CCCc3ccccc32)CC(=O)N[O-])cc1OC	ZINC000029400964	563102504	/nfs/dbraw/zinc/10/25/04/563102504.db2.gz	KRFIIEPIJNLUBA-SFHVURJKSA-N	-1	3	476.551	2.501	1	30		JFEFHM
CCO/N=C1/CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)C[C@@]1(C)N	ZINC000045291831	563185114	/nfs/dbraw/zinc/18/51/14/563185114.db2.gz	NYGPQPZZWVEYAD-YGHJMTJHSA-N	-1	3	489.454	2.821	1	30		JFEFHM
O=C(C[C@@H](Cc1ccc(-c2ccc3c(c2)OCO3)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)N[O-]	ZINC000013436317	562962443	/nfs/dbraw/zinc/96/24/43/562962443.db2.gz	MJTVUROZTDIMFT-MZEQIWSPSA-N	-1	3	474.513	2.911	1	30	in-vitro	JFEFHM
COc1cc(COc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)N[O-])S3(=O)=O)cc(OC)c1	ZINC000013518156	562970612	/nfs/dbraw/zinc/97/06/12/562970612.db2.gz	NSLCGVDBXCHQFK-OAQYLSRUSA-N	-1	3	493.582	2.619	1	30		JFEFHM
C[C@H](C(=O)N[O-])N1CCNc2cc(OCc3cc(Cl)cc(Cl)c3)ccc2S1(=O)=O	ZINC000013518136	562970658	/nfs/dbraw/zinc/97/06/58/562970658.db2.gz	WIOHNTSOYPKJIX-LLVKDONJSA-N	-1	3	460.339	2.883	1	30		JFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccc(O)cc1	ZINC000013776912	562991127	/nfs/dbraw/zinc/99/11/27/562991127.db2.gz	SMZZZWJJIWYSNC-DVECYGJZSA-N	-1	3	494.592	2.818	1	30		JFEFHM
CC[C@H](C)[C@@H](NC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[O-]	ZINC000026500071	563029046	/nfs/dbraw/zinc/02/90/46/563029046.db2.gz	HCXWMCQFWHPQHT-UQIDSAAFSA-N	-1	3	496.524	2.845	1	30		JFEFHM
CN(C(=O)OC(C)(C)C)[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-]	ZINC000026657821	563032579	/nfs/dbraw/zinc/03/25/79/563032579.db2.gz	BRZDUGZXGNCHQO-GOSISDBHSA-N	-1	3	450.513	2.994	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3NCCC[C@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000028382645	563062972	/nfs/dbraw/zinc/06/29/72/563062972.db2.gz	QDMJDGKLXWJUSU-FYYLOGMGSA-N	-1	3	469.563	2.770	1	30		JFEFHM
Cc1cc(COc2ccc(CCN3[C@H](C(=O)N[O-])CCS3(=O)=O)cc2)c2ccccc2n1	ZINC000028569532	563070471	/nfs/dbraw/zinc/07/04/71/563070471.db2.gz	OZLFXWYCUHTSQI-QFIPXVFZSA-N	-1	3	455.536	2.574	1	30		JFEFHM
CN[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)C/C1=N\OCc1ccccc1	ZINC000028708581	563075847	/nfs/dbraw/zinc/07/58/47/563075847.db2.gz	DDLZUPNDRPMGNQ-ZGTJORTRSA-N	-1	3	479.512	2.940	1	30		JFEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CC4(C[C@@H]3C(=O)N[O-])OCCO4)cc2)c2ccccc2n1	ZINC000029038366	563090742	/nfs/dbraw/zinc/09/07/42/563090742.db2.gz	KRGIXMSVPSMLII-JTHBVZDNSA-N	-1	3	477.517	2.879	1	30		JFEFHM
C[C@H](NS(=O)(=O)c1cccc(Br)c1)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000040934044	563157151	/nfs/dbraw/zinc/15/71/51/563157151.db2.gz	ZKPBIRXEWJIUKJ-VIFPVBQESA-N	-1	3	452.282	2.533	1	30		JFEFHM
O=C([N-]O)c1c2c(ccc1S(=O)(=O)N1CCC(Oc3ccc(C(F)(F)F)cc3)CC1)OCO2	ZINC000000589983	562918152	/nfs/dbraw/zinc/91/81/52/562918152.db2.gz	ZJECTIJIWXIEHB-UHFFFAOYSA-N	-1	3	488.440	2.785	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3CN(C)CC[C@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000000595455	562918318	/nfs/dbraw/zinc/91/83/18/562918318.db2.gz	ZLXSMXRIMOZSHG-AUSIDOKSSA-N	-1	3	483.590	2.969	1	30		JFEFHM
O=C(N[O-])[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1	ZINC000013441634	562963438	/nfs/dbraw/zinc/96/34/38/562963438.db2.gz	HLNRKJGRBAIQKZ-GBXCKJPGSA-N	-1	3	482.558	2.952	1	30		JFEFHM
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccc(Br)cc3)CC2)cc1	ZINC000013520983	562970769	/nfs/dbraw/zinc/97/07/69/562970769.db2.gz	YMQWZRPLMNNHEU-UHFFFAOYSA-N	-1	3	483.384	2.772	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)N[O-])C(C)(C)SCc2cccnc2)cc1	ZINC000013537415	562972768	/nfs/dbraw/zinc/97/27/68/562972768.db2.gz	JBVXKMHBLNDBBV-FQEVSTJZSA-N	-1	3	477.608	2.690	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)N(C)[C@H](C(=O)N[O-])C(C)(C)SCc2cccnc2)cc1	ZINC000013537418	562972789	/nfs/dbraw/zinc/97/27/89/562972789.db2.gz	JBVXKMHBLNDBBV-HXUWFJFHSA-N	-1	3	477.608	2.690	1	30		JFEFHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cc2c3ccccn3nc2C(F)(F)F)cc1	ZINC000013982556	563005310	/nfs/dbraw/zinc/00/53/10/563005310.db2.gz	SXDMGWZDRWQMPS-DLBZAZTESA-N	-1	3	462.428	2.584	1	30		JFEFHM
CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026566766	563029595	/nfs/dbraw/zinc/02/95/95/563029595.db2.gz	DDRIRFSIULAOBN-NHCUHLMSSA-N	-1	3	452.511	2.796	1	30		JFEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)N[O-]	ZINC000028471922	563065564	/nfs/dbraw/zinc/06/55/64/563065564.db2.gz	CWBVJJZJNOSACP-BEFAXECRSA-N	-1	3	486.949	2.714	1	30		JFEFHM
C=CC[C@@]1(C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C1=O	ZINC000028882563	563084845	/nfs/dbraw/zinc/08/48/45/563084845.db2.gz	GQABSLKKOHALCN-QFIPXVFZSA-N	-1	3	487.559	2.957	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3[C@H](C(=O)N[O-])CCN3C)cc2)c2ccccc2n1	ZINC000036151527	563122835	/nfs/dbraw/zinc/12/28/35/563122835.db2.gz	QPQUYVHWOXJEPM-FYYLOGMGSA-N	-1	3	469.563	2.722	1	30		JFEFHM
CC(=O)N1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1	ZINC000045245568	563181715	/nfs/dbraw/zinc/18/17/15/563181715.db2.gz	OYNXBIHVQMLXIA-UHFFFAOYSA-N	-1	3	452.916	2.793	1	30		JFEFHM
CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)N[O-])ccc2C[C@H]1C(=O)NCCc1ccccc1	ZINC000045348201	563191416	/nfs/dbraw/zinc/19/14/16/563191416.db2.gz	XMLZTNZIEIZZJM-NRFANRHFSA-N	-1	3	469.538	2.592	1	30		JFEFHM
COc1cc(CNc2ccc3c(c2)NCCN([C@H](CC(C)C)C(=O)N[O-])S3(=O)=O)cc(OC)c1	ZINC000013518174	562970652	/nfs/dbraw/zinc/97/06/52/562970652.db2.gz	MAPLEBZZVBOXKC-OAQYLSRUSA-N	-1	3	492.598	2.652	1	30		JFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOc1ccccc1)CC(=O)N[O-]	ZINC000013741989	562987170	/nfs/dbraw/zinc/98/71/70/562987170.db2.gz	RRLGEVWMENCJGJ-IRLDBZIGSA-N	-1	3	455.555	2.611	1	30		JFEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc21)C(=O)N[O-])C(C)(C)C	ZINC000013802397	562994399	/nfs/dbraw/zinc/99/43/99/562994399.db2.gz	BRZXSVRUJXSSFG-HLAWJBBLSA-N	-1	3	472.586	2.565	1	30		JFEFHM
CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N[O-])Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000013808275	562995442	/nfs/dbraw/zinc/99/54/42/562995442.db2.gz	BEKYMPWGANBKBK-UHFFFAOYSA-N	-1	3	480.499	2.638	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(C)C[C@H](C(=O)N[O-])[C@@H](CC2CCCC2)C(=O)N2CCCCC2)cc1	ZINC000026731365	563034222	/nfs/dbraw/zinc/03/42/22/563034222.db2.gz	IRBWGGQXMBAYQL-YADHBBJMSA-N	-1	3	495.642	2.646	1	30		JFEFHM
O=C(CCCSC[C@H](NC(=O)CCCc1ccccc1)C(=O)NCc1ccccc1)N[O-]	ZINC000026815684	563035451	/nfs/dbraw/zinc/03/54/51/563035451.db2.gz	NIEAXVTXUCNMCO-NRFANRHFSA-N	-1	3	457.596	2.829	1	30		JFEFHM
O=C(CCCSC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccccc1)N[O-]	ZINC000026821302	563035652	/nfs/dbraw/zinc/03/56/52/563035652.db2.gz	ZOJDPNBRNJRXAJ-SFHVURJKSA-N	-1	3	494.411	2.883	1	30		JFEFHM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(/C=N/OC(C)(C)C)c2cc1C3	ZINC000029048172	563092581	/nfs/dbraw/zinc/09/25/81/563092581.db2.gz	WOPSJUWZORPHGO-NNGVJWLTSA-N	-1	3	463.490	2.934	1	30		JFEFHM
COc1ccc(OC(=O)Nc2cccc(S(=O)(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[O-])c2)cc1	ZINC000013797734	562993401	/nfs/dbraw/zinc/99/34/01/562993401.db2.gz	IGJDRNDPWLIBBQ-JOCHJYFZSA-N	-1	3	497.529	2.927	1	30		JFEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1ccc2ccccc2c1)C(=O)N[O-])C(C)(C)C	ZINC000013802391	562994404	/nfs/dbraw/zinc/99/44/04/562994404.db2.gz	LYBBNJPLEUKQHO-BHIFYINESA-N	-1	3	470.614	2.743	1	30		JFEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000013863176	563003219	/nfs/dbraw/zinc/00/32/19/563003219.db2.gz	VFZIJJKDJJPVIT-HNNXBMFYSA-N	-1	3	472.523	2.899	1	30		JFEFHM
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSCC(=O)c1ccccc1)C(=O)N[O-]	ZINC000027073945	563038872	/nfs/dbraw/zinc/03/88/72/563038872.db2.gz	COZHGIMDIFUAQT-FSSWDIPSSA-N	-1	3	499.633	2.599	1	30		JFEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000027557892	563046529	/nfs/dbraw/zinc/04/65/29/563046529.db2.gz	SBRFLKPLBFUQNN-OAHLLOKOSA-N	-1	3	472.523	2.899	1	30		JFEFHM
C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C(=O)N[O-])c1ccccc1	ZINC000028092165	563055681	/nfs/dbraw/zinc/05/56/81/563055681.db2.gz	JQVKKTYOFNLOIP-MBSDFSHPSA-N	-1	3	461.518	2.676	1	30		JFEFHM
C[C@@H]1CN([C@@H](CN(c2ccc(Oc3ccc(Cl)cc3)cc2)S(C)(=O)=O)C(=O)N[O-])C[C@H](C)O1	ZINC000029039937	563091279	/nfs/dbraw/zinc/09/12/79/563091279.db2.gz	USBYYTHGWSZFCH-MRUHUIDDSA-N	-1	3	498.001	2.882	1	30		JFEFHM
CN1C(=O)N(CC[C@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029331385	563100604	/nfs/dbraw/zinc/10/06/04/563100604.db2.gz	RNHVOKXLHUNLLK-HXUWFJFHSA-N	-1	3	450.495	2.883	1	30		JFEFHM
CCN1C(=O)N(C[C@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029340132	563100961	/nfs/dbraw/zinc/10/09/61/563100961.db2.gz	XJIQVSMHQQCBEO-HXUWFJFHSA-N	-1	3	450.495	2.883	1	30		JFEFHM
C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C1=CC(=O)c2c(O)ccc([O-])c2C1=O	ZINC000040935260	563157652	/nfs/dbraw/zinc/15/76/52/563157652.db2.gz	XXGQHFNSUZESDR-SECBINFHSA-N	-1	3	452.282	2.533	1	30		JFEFHM
CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)N[O-])ccc2C[C@H]1C(=O)NCc1ccccc1	ZINC000045335506	563190054	/nfs/dbraw/zinc/19/00/54/563190054.db2.gz	DBTBGJYMRFOLNN-FQEVSTJZSA-N	-1	3	455.511	2.549	1	30		JFEFHM
N=NC([N-]S(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)s1)Nc1ccc(Cl)cc1	ZINC000005579356	562934254	/nfs/dbraw/zinc/93/42/54/562934254.db2.gz	VGBCLWYMUPDWJC-UHFFFAOYSA-N	-1	3	470.985	2.854	1	30		JFEFHM
O=C(N[O-])[C@H]1CN(C(=O)c2ccccc2)CCCN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013561008	562975465	/nfs/dbraw/zinc/97/54/65/562975465.db2.gz	AOPSFGSGYVNAEJ-HSZRJFAPSA-N	-1	3	495.557	2.890	1	30		JFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](Cc2ccc(O)cc2)C(=O)N[O-])cc1	ZINC000013764144	562990474	/nfs/dbraw/zinc/99/04/74/562990474.db2.gz	AZLPLQRRFWWDQE-QFIPXVFZSA-N	-1	3	456.520	2.708	1	30		JFEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1	ZINC000013776914	562991151	/nfs/dbraw/zinc/99/11/51/562991151.db2.gz	GNHMOHGVWISYSN-IERDGZPVSA-N	-1	3	454.527	2.662	1	30		JFEFHM
CSc1nccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[O-])s2)n1	ZINC000013797751	562993447	/nfs/dbraw/zinc/99/34/47/562993447.db2.gz	WYWULSIANADMTA-OAHLLOKOSA-N	-1	3	462.578	2.548	1	30		JFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1ccc(O)cc1)C(=O)N[O-]	ZINC000027075049	563038922	/nfs/dbraw/zinc/03/89/22/563038922.db2.gz	VWEKUHYRCOZNGA-FSSWDIPSSA-N	-1	3	487.622	2.742	1	30		JFEFHM
C#CN1CC[C@H](C(=O)N[O-])[C@@H](CS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C1	ZINC000028377993	563062829	/nfs/dbraw/zinc/06/28/29/563062829.db2.gz	VACPECYZKUSTIV-YKSBVNFPSA-N	-1	3	493.585	2.930	1	30		JFEFHM
COc1ccc(S(=O)(=O)[C@H](CCCC(=O)N2CCCc3ccccc32)CC(=O)N[O-])cc1OC	ZINC000029393983	563102013	/nfs/dbraw/zinc/10/20/13/563102013.db2.gz	ALKGLLLPQJKCRV-GOSISDBHSA-N	-1	3	490.578	2.891	1	30		JFEFHM
O=C(CCCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1)N[O-]	ZINC000034480667	563113616	/nfs/dbraw/zinc/11/36/16/563113616.db2.gz	UXCUSJFPQVIRSP-QFIPXVFZSA-N	-1	3	450.539	2.968	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)CCCCC)CC2)cc1	ZINC000034801893	563115864	/nfs/dbraw/zinc/11/58/64/563115864.db2.gz	ZUMRSIZQUOZFGG-UHFFFAOYSA-N	-1	3	464.584	2.557	1	30		JFEFHM
COc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[O-])CC1CCCC1	ZINC000058541781	563207172	/nfs/dbraw/zinc/20/71/72/563207172.db2.gz	AXXYXJKZPFTSHT-NRFANRHFSA-N	-1	3	468.554	2.952	1	30		JFEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCOCc1ccccc1)CC(=O)N[O-]	ZINC000003813622	562928831	/nfs/dbraw/zinc/92/88/31/562928831.db2.gz	QSONFBZTWRVCKO-PKTZIBPZSA-N	-1	3	469.582	2.749	1	30		JFEFHM
COc1ccc(S(=O)(=O)N2Cc3cc(NC(=O)OC(C)(C)C)ccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000003939389	562930240	/nfs/dbraw/zinc/93/02/40/562930240.db2.gz	PBJWRLBRUGJQMR-LJQANCHMSA-N	-1	3	477.539	2.663	1	30		JFEFHM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026501109	563029175	/nfs/dbraw/zinc/02/91/75/563029175.db2.gz	CTXUBBUSWZWRHF-NHCUHLMSSA-N	-1	3	452.511	2.652	1	30		JFEFHM
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000027619468	563047176	/nfs/dbraw/zinc/04/71/76/563047176.db2.gz	UBBBKPVDKLDZNE-AXVPLRHPSA-N	-1	3	461.540	2.707	1	30		JFEFHM
O=C(N[O-])[C@H]1C/C(=N/Oc2ccccc2)CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1	ZINC000027625914	563047441	/nfs/dbraw/zinc/04/74/41/563047441.db2.gz	GPLRECXXBJTJRJ-FFAHCDIZSA-N	-1	3	468.491	2.577	1	30		JFEFHM
O=C(Nc1nc(C2(C(=O)N[O-])CCOCC2)cs1)c1cccc(COc2ccccc2)n1	ZINC000028462811	563064753	/nfs/dbraw/zinc/06/47/53/563064753.db2.gz	AUQTVROETRNZQS-UHFFFAOYSA-N	-1	3	454.508	2.923	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(c3nc4ccccc4o3)CC2)cc1	ZINC000028816888	563079563	/nfs/dbraw/zinc/07/95/63/563079563.db2.gz	XWVXWDVYQZEQBA-UHFFFAOYSA-N	-1	3	483.546	2.796	1	30		JFEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)c3ccccc3C)C2)cc1	ZINC000028951490	563087144	/nfs/dbraw/zinc/08/71/44/563087144.db2.gz	SQWKFISUTRRKSE-RUZDIDTESA-N	-1	3	484.574	2.599	1	30		JFEFHM
C#CCN1C[C@@H](NC(=O)c2ccc(Cn3c4ccccc4nc3C(C)(C)C)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029038043	563090649	/nfs/dbraw/zinc/09/06/49/563090649.db2.gz	UVQRQVBDZDEEBU-RBBKRZOGSA-N	-1	3	473.577	2.551	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C[C@@H]3[C@@H](C(=O)N[O-])CCN3C)cc2)c2ccccc2n1	ZINC000036151532	563122860	/nfs/dbraw/zinc/12/28/60/563122860.db2.gz	QPQUYVHWOXJEPM-JTHBVZDNSA-N	-1	3	469.563	2.722	1	30		JFEFHM
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)N[O-])CCN(C)CC3)cc2)c2ccccc2n1	ZINC000040956270	563160831	/nfs/dbraw/zinc/16/08/31/563160831.db2.gz	BWCDPDUCUGVEMN-UHFFFAOYSA-N	-1	3	469.563	2.866	1	30		JFEFHM
CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(C)=O)C[C@]1(C)N	ZINC000045286717	563184035	/nfs/dbraw/zinc/18/40/35/563184035.db2.gz	FTBFZQJKXDHDFM-ZVSVJSTQSA-N	-1	3	458.490	2.696	1	30		JFEFHM
COc1cc(O)c2c(c1Br)CC=CC(=O)C(O)=C([O-])CC[C@@H](C)[C@H](C)OC2=O	ZINC000049089540	563201961	/nfs/dbraw/zinc/20/19/61/563201961.db2.gz	USDHTKSIWUPLBE-LUDRFLNSSA-N	-1	3	455.301	2.609	1	30		JFEFHM
COc1cc(O)c2c(c1Br)CC=CC([O-])=C(O)C(=O)CC[C@@H](C)[C@H](C)OC2=O	ZINC000049089540	563201962	/nfs/dbraw/zinc/20/19/62/563201962.db2.gz	USDHTKSIWUPLBE-LUDRFLNSSA-N	-1	3	455.301	2.609	1	30		JFEFHM