smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(C(=O)N[O-])CC1	ZINC000013674618	563000389	/nfs/dbraw/zinc/00/03/89/563000389.db2.gz	PRJCFROAJDAXAD-UHFFFAOYSA-N	-1	3	428.510	2.473	1	30		IEEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCOCC1	ZINC000027076977	563038982	/nfs/dbraw/zinc/03/89/82/563038982.db2.gz	BFMSCDGDXHTNEA-UHFFFAOYSA-N	-1	3	426.878	2.465	1	30		IEEFHM
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/C=C/c1ccccc1)CC(=O)N[O-]	ZINC000028825780	563066356	/nfs/dbraw/zinc/06/63/56/563066356.db2.gz	FNYMWMSAYUTPPB-IJULCPIYSA-N	-1	3	446.507	2.477	1	30		IEEFHM
C#CCN1C[C@@H](NC(=O)c2ccc(Cc3c(C)[nH]c4ccccc43)cc2)[C@@H](C(=O)N[O-])C1	ZINC000029127447	563074973	/nfs/dbraw/zinc/07/49/73/563074973.db2.gz	UCBHULDBBSNWOP-JTHBVZDNSA-N	-1	3	430.508	2.236	1	30		IEEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129140	563075354	/nfs/dbraw/zinc/07/53/54/563075354.db2.gz	MUYREESVDCFSSL-RBBKRZOGSA-N	-1	3	434.496	2.288	1	30		IEEFHM
CN1C(=O)N(C[C@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029338037	563078284	/nfs/dbraw/zinc/07/82/84/563078284.db2.gz	MIXVCULNWAELJE-LJQANCHMSA-N	-1	3	436.468	2.493	1	30		IEEFHM
CN1C(=O)N(C[C@@H](COc2cccc(-c3ccc(C#N)cc3)c2)N([O-])C=O)C(=O)C1(C)C	ZINC000029341085	563078437	/nfs/dbraw/zinc/07/84/37/563078437.db2.gz	OTHBKTUWXHXMSY-IBGZPJMESA-N	-1	3	436.468	2.493	1	30		IEEFHM
CN([O-])C(=O)c1cc2c(CN3CCC[C@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1	ZINC000035997754	563090598	/nfs/dbraw/zinc/09/05/98/563090598.db2.gz	XGYYVDZJWSDWDE-IBGZPJMESA-N	-1	3	425.464	2.135	1	30	investigational	IEEFHM
CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)C[C@]1(C)N	ZINC000045298691	563128851	/nfs/dbraw/zinc/12/88/51/563128851.db2.gz	VNTUIVLTGQIMBU-FQOPDIHJSA-N	-1	3	440.422	2.267	1	30		IEEFHM
CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(C)=O)C[C@]1(C)N	ZINC000045298452	563128867	/nfs/dbraw/zinc/12/88/67/563128867.db2.gz	JTZXNGAOLFZNPH-TYGBLEFESA-N	-1	3	444.463	2.306	1	30		IEEFHM
O=C(N[O-])[C@H]1CCCCN1S(=O)(=O)N1CC=C(c2ccc(Br)cc2)CC1	ZINC000013587222	562995527	/nfs/dbraw/zinc/99/55/27/562995527.db2.gz	DESQEDCHHNEBHG-MRXNPFEDSA-N	-1	3	444.351	2.143	1	30		IEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1ccc(C#N)cc1)C(=O)N[O-])C(C)(C)C	ZINC000013802333	563007971	/nfs/dbraw/zinc/00/79/71/563007971.db2.gz	LDFJGSZPKVRXOC-FGTMMUONSA-N	-1	3	448.589	2.464	1	30		IEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2cccnc21	ZINC000013840117	563012319	/nfs/dbraw/zinc/01/23/19/563012319.db2.gz	QOHQCFPXXORJID-ZDUSSCGKSA-N	-1	3	430.442	2.228	1	30		IEEFHM
CC(C)(C)O/N=C1/C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1	ZINC000027618063	563044422	/nfs/dbraw/zinc/04/44/22/563044422.db2.gz	BUOKQWSUTKFXOW-NLKUQUHMSA-N	-1	3	448.501	2.313	1	30		IEEFHM
Cc1ccc(COc2ccc(S(=O)(=O)N3C[C@H](O)CC(C)(C)[C@@H]3C(=O)N[O-])cc2)cc1	ZINC000028467538	563055389	/nfs/dbraw/zinc/05/53/89/563055389.db2.gz	ZXORTEVXPYNWIB-XLIONFOSSA-N	-1	3	448.541	2.230	1	30		IEEFHM
CCCO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[C@H]1NC	ZINC000028708577	563062293	/nfs/dbraw/zinc/06/22/93/563062293.db2.gz	CXULGLPKOPONBR-GUTJXLKISA-N	-1	3	431.468	2.149	1	30		IEEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H]2CC[C@@H](C1)O2	ZINC000013914564	581099826	/nfs/dbraw/zinc/09/98/26/581099826.db2.gz	REZSPXZZCJTZIK-XEWABKELSA-N	-1	3	436.461	2.482	1	30		IEEFHM
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccccc3)CC2)cc1	ZINC000013586043	562995109	/nfs/dbraw/zinc/99/51/09/562995109.db2.gz	KRJQQXQOPZJOSC-UHFFFAOYSA-N	-1	3	442.537	2.403	1	30		IEEFHM
O=C(CCCNC(=O)OCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026507469	563032963	/nfs/dbraw/zinc/03/29/63/563032963.db2.gz	MSXHXOSUAWIDNZ-FQEVSTJZSA-N	-1	3	438.484	2.407	1	30		IEEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NC(C)C)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026643530	563034366	/nfs/dbraw/zinc/03/43/66/563034366.db2.gz	SUBBKQHMZJMXGH-ZCNNSNEGSA-N	-1	3	433.549	2.195	1	30		IEEFHM
COc1cc(Oc2ccc(S(=O)(=O)C[C@H](C)C(=O)N[O-])cc2)cc(OC)c1OC	ZINC000026739689	563036285	/nfs/dbraw/zinc/03/62/85/563036285.db2.gz	LUOBAMXDTNOZAD-LBPRGKRZSA-N	-1	3	425.459	2.420	1	30		IEEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCOCC1	ZINC000027080474	563039131	/nfs/dbraw/zinc/03/91/31/563039131.db2.gz	SJVJJZDVWOYTNM-UHFFFAOYSA-N	-1	3	426.878	2.465	1	30		IEEFHM
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OC(C)(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000027618070	563044409	/nfs/dbraw/zinc/04/44/09/563044409.db2.gz	FIAWLFURFKPROF-RHTHQAGFSA-N	-1	3	427.523	2.305	1	30		IEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000013440798	562986200	/nfs/dbraw/zinc/98/62/00/562986200.db2.gz	RRCIZJAQZWCCLO-LJQANCHMSA-N	-1	3	436.486	2.145	1	30		IEEFHM
CC(C)C[C@@H]1CC(=O)N([C@@H](Cc2ccccc2)C(=O)NCCCCCC(=O)N[O-])C1=O	ZINC000013818775	563009675	/nfs/dbraw/zinc/00/96/75/563009675.db2.gz	BPOCISKACYSSCO-MOPGFXCFSA-N	-1	3	431.533	2.201	1	30		IEEFHM
Cc1ccc(COc2ccc(S(=O)(=O)N3CCC[C@@](C)(O)[C@@H]3C(=O)N[O-])cc2)c(C)c1	ZINC000026666771	563035184	/nfs/dbraw/zinc/03/51/84/563035184.db2.gz	WJLOBHTVOSELPJ-RBBKRZOGSA-N	-1	3	448.541	2.292	1	30		IEEFHM
Cc1ccc(COc2ccc(S(=O)(=O)N3CCC[C@](C)(O)[C@@H]3C(=O)N[O-])cc2)c(C)c1	ZINC000026666776	563035214	/nfs/dbraw/zinc/03/52/14/563035214.db2.gz	WJLOBHTVOSELPJ-UNMCSNQZSA-N	-1	3	448.541	2.292	1	30		IEEFHM
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCC(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000027618250	563044424	/nfs/dbraw/zinc/04/44/24/563044424.db2.gz	GWZMHEYDUOAMNJ-AFDUHFSSSA-N	-1	3	427.523	2.163	1	30		IEEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(O)cc4[nH]3)C[C@H]3C[C@@]213	ZINC000035076375	563089258	/nfs/dbraw/zinc/08/92/58/563089258.db2.gz	ZTRVWTHHNNEWAO-QVQLBTGDSA-N	-1	3	433.420	2.491	1	30		IEEFHM
CNC(=O)c1ccc2[nH]c(C(=O)N3C[C@H]4C[C@]45c4cc(C(=O)OC)[n-]c4C(=O)C=C35)cc2c1	ZINC000049784750	563139685	/nfs/dbraw/zinc/13/96/85/563139685.db2.gz	ONYJXXZTQWJVPZ-YEBMWUKDSA-N	-1	3	444.447	2.136	1	30		IEEFHM
O=C(NCCc1ccccc1)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000066101907	563158461	/nfs/dbraw/zinc/15/84/61/563158461.db2.gz	XJGZFIQZJZRGNF-FQEVSTJZSA-N	-1	3	442.516	2.499	1	30		IEEFHM
CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)CC[C@@H]1NC	ZINC000095592043	563190438	/nfs/dbraw/zinc/19/04/38/563190438.db2.gz	NMSALUBYGVIRFI-LOMYJAPHSA-N	-1	3	446.479	2.373	1	30		IEEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Br)cc1)N[O-]	ZINC000013808259	563008693	/nfs/dbraw/zinc/00/86/93/563008693.db2.gz	PFPVZWIKTNGHGO-UHFFFAOYSA-N	-1	3	444.263	2.054	1	30		IEEFHM
O=C(CCCSC[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1)N[O-]	ZINC000026816665	563036718	/nfs/dbraw/zinc/03/67/18/563036718.db2.gz	KJNILQQJJFDSBE-SFHVURJKSA-N	-1	3	433.505	2.259	1	30		IEEFHM
O=C(CCCSC[C@H](NC(=O)CCc1ccccc1)C(=O)NCc1ccccc1)N[O-]	ZINC000026815697	563036747	/nfs/dbraw/zinc/03/67/47/563036747.db2.gz	AHVFFLZKDZHMQR-FQEVSTJZSA-N	-1	3	443.569	2.439	1	30		IEEFHM
C#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)N[O-])C1	ZINC000028821952	563065558	/nfs/dbraw/zinc/06/55/58/563065558.db2.gz	YIIFUMKWGPMPET-LADGPHEKSA-N	-1	3	442.519	2.303	1	30		IEEFHM
O=C(CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccncc1)N[O-]	ZINC000040576768	563105396	/nfs/dbraw/zinc/10/53/96/563105396.db2.gz	XOKCJVAGWSDSCD-IBGZPJMESA-N	-1	3	428.489	2.449	1	30		IEEFHM
CCOCCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@H]1C(=O)N[O-]	ZINC000058655413	563145971	/nfs/dbraw/zinc/14/59/71/563145971.db2.gz	GMNFREWQYNXZAF-WRGVRERRSA-N	-1	3	434.429	2.499	1	30		IEEFHM
O=C(NCc1ccccc1)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000066157452	563159673	/nfs/dbraw/zinc/15/96/73/563159673.db2.gz	CIFXHVPPAHZMEH-IBGZPJMESA-N	-1	3	428.489	2.457	1	30		IEEFHM
CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)CC[C@@]1(C)N	ZINC000071295865	563161699	/nfs/dbraw/zinc/16/16/99/563161699.db2.gz	MTNRFPRGZSJOKQ-FVQQXUQMSA-N	-1	3	432.452	2.112	1	30		IEEFHM
C[C@@](CCn1ccc(-c2ccc(-c3ccncc3)cc2)cc1=O)(C(=O)N[O-])S(C)(=O)=O	ZINC000084619512	563174680	/nfs/dbraw/zinc/17/46/80/563174680.db2.gz	XRFCFALKVDYJQY-JOCHJYFZSA-N	-1	3	441.509	2.276	1	30		IEEFHM
CCOCCO[P@@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)N[O-]	ZINC000013472484	562988042	/nfs/dbraw/zinc/98/80/42/562988042.db2.gz	GMNFREWQYNXZAF-KEEVHDRGSA-N	-1	3	434.429	2.499	1	30		IEEFHM
CC(C)S[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1	ZINC000026665811	563035203	/nfs/dbraw/zinc/03/52/03/563035203.db2.gz	LHGSLJKJOIGNMN-VQTJNVASSA-N	-1	3	443.569	2.436	1	30		IEEFHM
CCCCC[C@H](CC(=O)N[O-])C(=O)N1NCCC[C@H]1C(=O)N[C@@H](C(=O)CC)[C@H](C)CC	ZINC000026824372	563037071	/nfs/dbraw/zinc/03/70/71/563037071.db2.gz	IWWYEUSBHSDVOX-PDOICOKGSA-N	-1	3	440.585	2.084	1	30		IEEFHM
CCOCCO[P@](=O)(c1ccc(OC)cc1)N1Cc2ccccc2C[C@@H]1C(=O)N[O-]	ZINC000028019857	563050083	/nfs/dbraw/zinc/05/00/83/563050083.db2.gz	GMNFREWQYNXZAF-PRAQEBQASA-N	-1	3	434.429	2.499	1	30		IEEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028470881	563055549	/nfs/dbraw/zinc/05/55/49/563055549.db2.gz	BHRJTBRTTVQRNI-XLIONFOSSA-N	-1	3	448.541	2.230	1	30		IEEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)[C@@H](C)CC)CC2)cc1	ZINC000028861988	563066793	/nfs/dbraw/zinc/06/67/93/563066793.db2.gz	CBEZXYHTYKUDTE-KRWDZBQOSA-N	-1	3	449.573	2.056	1	30		IEEFHM
C#CCN1CCC(C(=O)N[O-])(S(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)CC1	ZINC000034047836	563085426	/nfs/dbraw/zinc/08/54/26/563085426.db2.gz	GXZSIAVJNPWNMR-UHFFFAOYSA-N	-1	3	444.509	2.234	1	30		IEEFHM
CCO/N=C1/CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3[C@@H](C)COC)C[C@@]1(C)N	ZINC000045301515	563129225	/nfs/dbraw/zinc/12/92/25/563129225.db2.gz	AJRDZROBNGPJBY-BBKONAMMSA-N	-1	3	448.495	2.366	1	30		IEEFHM
C[C@H](Nc1nc([N-]c2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ncc(F)cn1	ZINC000049112149	563138321	/nfs/dbraw/zinc/13/83/21/563138321.db2.gz	KMLNYUOSFLLLQP-NSHDSACASA-N	-1	3	427.469	2.487	1	30		IEEFHM
CN([O-])C(=O)c1cc2c(CN3CCC[C@@H]3C(N)=O)cn(Cc3ccc(F)cc3)c2cn1	ZINC000064559600	563156089	/nfs/dbraw/zinc/15/60/89/563156089.db2.gz	XGYYVDZJWSDWDE-LJQANCHMSA-N	-1	3	425.464	2.135	1	30	investigational	IEEFHM
C[C@@](CCn1ccc(-c2ccc(-c3ccccn3)cc2)cc1=O)(C(=O)N[O-])S(C)(=O)=O	ZINC000072315416	563168372	/nfs/dbraw/zinc/16/83/72/563168372.db2.gz	GVJJDWNTWSOHQV-JOCHJYFZSA-N	-1	3	441.509	2.276	1	30		IEEFHM
CN1CCC(c2c3c(c(O)cc2[O-])C(=O)/C(=C/c2ccc(S(N)(=O)=O)cc2)O3)CC1	ZINC000003814433	562938453	/nfs/dbraw/zinc/93/84/53/562938453.db2.gz	GOWOIXBMOFKIQJ-YVLHZVERSA-N	-1	3	430.482	2.171	1	30		IEEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOc1ccccc1)CC(=O)N[O-]	ZINC000003813623	562938490	/nfs/dbraw/zinc/93/84/90/562938490.db2.gz	ABOVSYRJLZIGMD-CTNGQTDRSA-N	-1	3	441.528	2.221	1	30		IEEFHM
COc1ccc(S(=O)(=O)N(CCn2cccc2)[C@H](Cc2cccs2)C(=O)N[O-])cc1	ZINC000013440860	562986301	/nfs/dbraw/zinc/98/63/01/562986301.db2.gz	XBULSDYSTODIEW-LJQANCHMSA-N	-1	3	449.554	2.366	1	30		IEEFHM
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(CCCc3ccccc3)CC2)cc1	ZINC000013520987	562991289	/nfs/dbraw/zinc/99/12/89/562991289.db2.gz	FTWZRZIOCFAVKU-UHFFFAOYSA-N	-1	3	432.542	2.442	1	30		IEEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Sc3ccc(F)cc3)cc2)CCOCC1	ZINC000026994928	563038905	/nfs/dbraw/zinc/03/89/05/563038905.db2.gz	ZXNZAWRNXJJQCL-UHFFFAOYSA-N	-1	3	426.491	2.310	1	30		IEEFHM
CCCO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[C@@H]1NC	ZINC000028708575	563062270	/nfs/dbraw/zinc/06/22/70/563062270.db2.gz	CXULGLPKOPONBR-LOMYJAPHSA-N	-1	3	431.468	2.149	1	30		IEEFHM
CN1C(=O)N(C[C@H](COc2cccc(-c3ccc(C#N)cc3)c2)N([O-])C=O)C(=O)C1(C)C	ZINC000029341088	563078458	/nfs/dbraw/zinc/07/84/58/563078458.db2.gz	OTHBKTUWXHXMSY-LJQANCHMSA-N	-1	3	436.468	2.493	1	30		IEEFHM
C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[n-]1)N1CC(Oc2ccc(C#N)c(F)c2)C1	ZINC000095572128	563184721	/nfs/dbraw/zinc/18/47/21/563184721.db2.gz	YNMBLAQBTDEPTA-CYBMUJFWSA-N	-1	3	438.463	2.306	1	30		IEEFHM
O=C(N[O-])[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCOC1	ZINC000000590142	562918347	/nfs/dbraw/zinc/91/83/47/562918347.db2.gz	JJSAEDOMTCNEQL-GOSISDBHSA-N	-1	3	426.878	2.465	1	30		IEEFHM
C#CCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccccc3)CC2)cc1	ZINC000013586045	562995246	/nfs/dbraw/zinc/99/52/46/562995246.db2.gz	XAUUSUAZNMIGRK-UHFFFAOYSA-N	-1	3	428.510	2.013	1	30		IEEFHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cc2c3c(nc4ccccc42)COC3)cc1	ZINC000028821972	563065578	/nfs/dbraw/zinc/06/55/78/563065578.db2.gz	VCLBYIDCEBFPME-RBBKRZOGSA-N	-1	3	447.491	2.496	1	30		IEEFHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4cc(O)c(OC)cc4[nH]3)C[C@H]3C[C@@]213	ZINC000035076374	563089271	/nfs/dbraw/zinc/08/92/71/563089271.db2.gz	XRQMRYPUKXXSBJ-QVQLBTGDSA-N	-1	3	433.420	2.491	1	30		IEEFHM
CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)CC[C@]1(C)N	ZINC000071295866	563161689	/nfs/dbraw/zinc/16/16/89/563161689.db2.gz	MTNRFPRGZSJOKQ-ZKOYDURRSA-N	-1	3	432.452	2.112	1	30		IEEFHM
C[C@@H](c1nc2c(cnn2C2CCOCC2)c(=O)[n-]1)N1CC(Oc2ccc(F)c(C#N)c2)C1	ZINC000095572697	563184825	/nfs/dbraw/zinc/18/48/25/563184825.db2.gz	DNRDSQSNTVMZSL-ZDUSSCGKSA-N	-1	3	438.463	2.306	1	30		IEEFHM
CSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C	ZINC000027088362	563039160	/nfs/dbraw/zinc/03/91/60/563039160.db2.gz	YLHISSHXLNYLSN-BEFAXECRSA-N	-1	3	448.589	2.232	1	30		IEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2cccnc21	ZINC000027558273	563044053	/nfs/dbraw/zinc/04/40/53/563044053.db2.gz	QOHQCFPXXORJID-CYBMUJFWSA-N	-1	3	430.442	2.228	1	30		IEEFHM
O=C(N[C@@H]1COC[C@@H]1C(=O)N[O-])c1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1	ZINC000029038084	563071683	/nfs/dbraw/zinc/07/16/83/563071683.db2.gz	JADBDFQEPJQPBJ-GOEBONIOSA-N	-1	3	448.401	2.354	1	30		IEEFHM
CN1C(=O)N(C[C@H](COc2ccc(-c3cccc(C#N)c3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029327124	563077995	/nfs/dbraw/zinc/07/79/95/563077995.db2.gz	QQFFLMZJIVBXJZ-LJQANCHMSA-N	-1	3	436.468	2.493	1	30		IEEFHM
COc1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c(O)ccc([O-])c3C2=O)C(C)C)cc1	ZINC000040833955	563107092	/nfs/dbraw/zinc/10/70/92/563107092.db2.gz	KUXYOQWCVFUUPJ-FQEVSTJZSA-N	-1	3	431.466	2.415	1	30		IEEFHM
COc1ccc(S(=O)(=O)N[C@H](C2=CC(=O)c3c([O-])ccc(O)c3C2=O)C(C)C)cc1	ZINC000040833955	563107093	/nfs/dbraw/zinc/10/70/93/563107093.db2.gz	KUXYOQWCVFUUPJ-FQEVSTJZSA-N	-1	3	431.466	2.415	1	30		IEEFHM
CN([O-])C(=O)c1cc2c(C(=O)N3CCC[C@@H]3CO)cn(Cc3ccc(F)cc3)c2cn1	ZINC000064573226	563156427	/nfs/dbraw/zinc/15/64/27/563156427.db2.gz	RZQDOGRXUQWBRQ-MRXNPFEDSA-N	-1	3	426.448	2.282	1	30		IEEFHM
C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[n-]1)N1CC(Oc2ccc(F)c(C#N)c2)C1	ZINC000095572698	563184850	/nfs/dbraw/zinc/18/48/50/563184850.db2.gz	DNRDSQSNTVMZSL-CYBMUJFWSA-N	-1	3	438.463	2.306	1	30		IEEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1)N[O-]	ZINC000013561010	562994259	/nfs/dbraw/zinc/99/42/59/562994259.db2.gz	KCYFTCQGZAVPRC-UHFFFAOYSA-N	-1	3	433.364	2.310	1	30		IEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(F)cc1)CC(=O)N[O-])C(C)(C)C	ZINC000013741996	563003377	/nfs/dbraw/zinc/00/33/77/563003377.db2.gz	LNSULHYVZXTWFG-RDTXWAMCSA-N	-1	3	425.501	2.163	1	30		IEEFHM
COc1ccc(S(=O)(=O)N2CC(C)(C)[C@@H](COCc3ccccc3)[C@@H]2C(=O)N[O-])cc1	ZINC000013864011	563013480	/nfs/dbraw/zinc/01/34/80/563013480.db2.gz	ZAVWWISQYKVWCT-VQTJNVASSA-N	-1	3	448.541	2.433	1	30		IEEFHM
COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)CCCCCCC(=O)N[O-]	ZINC000016052595	563020902	/nfs/dbraw/zinc/02/09/02/563020902.db2.gz	UPYGSQPRAHMDPD-HNNXBMFYSA-N	-1	3	429.311	2.495	1	30	in-vivo	IEEFHM
CNC(=O)[C@@H]1Cc2ccc(cc2)OCCCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000026176093	563029515	/nfs/dbraw/zinc/02/95/15/563029515.db2.gz	LBZOGBFXCHOCBC-ZCNNSNEGSA-N	-1	3	433.549	2.197	1	30		IEEFHM
C[C@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2cccnc21	ZINC000026375733	563031040	/nfs/dbraw/zinc/03/10/40/563031040.db2.gz	UPOQKNRTSRRUGU-CYBMUJFWSA-N	-1	3	430.442	2.228	1	30		IEEFHM
COc1ccc(S(=O)(=O)N2CCC(Oc3ccccc3)CC2)c(C(=O)[N-]O)c1OC	ZINC000026499577	563032734	/nfs/dbraw/zinc/03/27/34/563032734.db2.gz	RFLCSJBVTOHUGE-UHFFFAOYSA-N	-1	3	436.486	2.055	1	30		IEEFHM
CN([O-])C(=O)COCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C	ZINC000029058831	563073598	/nfs/dbraw/zinc/07/35/98/563073598.db2.gz	PLGZGEBVJIRKLN-UHFFFAOYSA-N	-1	3	427.387	2.128	1	30		IEEFHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cc2c(C3CC3)nc3ccccn32)cc1	ZINC000029127200	563074805	/nfs/dbraw/zinc/07/48/05/563074805.db2.gz	FPQFSGNFLIZLQV-RBUKOAKNSA-N	-1	3	434.496	2.443	1	30		IEEFHM
CN1C(=O)N(C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029338033	563078239	/nfs/dbraw/zinc/07/82/39/563078239.db2.gz	MIXVCULNWAELJE-IBGZPJMESA-N	-1	3	436.468	2.493	1	30		IEEFHM
O=C(CCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1)N[O-]	ZINC000035079655	563089247	/nfs/dbraw/zinc/08/92/47/563089247.db2.gz	VTSLJCSOQLHIIV-LJQANCHMSA-N	-1	3	442.472	2.466	1	30		IEEFHM
CCO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)C[C@@]1(C)N	ZINC000045298689	563128873	/nfs/dbraw/zinc/12/88/73/563128873.db2.gz	VNTUIVLTGQIMBU-PUDRWSQFSA-N	-1	3	440.422	2.267	1	30		IEEFHM
CCO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)CC[C@H]1NC	ZINC000095592044	563190467	/nfs/dbraw/zinc/19/04/67/563190467.db2.gz	NMSALUBYGVIRFI-GUTJXLKISA-N	-1	3	446.479	2.373	1	30		IEEFHM
CC(C)c1ccccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC[C@@H]2C(=O)N[O-])cc1	ZINC000013441650	562986442	/nfs/dbraw/zinc/98/64/42/562986442.db2.gz	XMCYAYXTCCGUCU-DYESRHJHSA-N	-1	3	448.541	2.408	1	30		IEEFHM
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(CCCOc3ccccc3)CC2)cc1	ZINC000013521048	562991196	/nfs/dbraw/zinc/99/11/96/562991196.db2.gz	FBLQAKOTTHGGBJ-UHFFFAOYSA-N	-1	3	448.541	2.278	1	30		IEEFHM
COc1ccc(CN2CCC(C(=O)N[O-])(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	ZINC000013521030	562991201	/nfs/dbraw/zinc/99/12/01/562991201.db2.gz	KLYIBVBIKFMTRO-UHFFFAOYSA-N	-1	3	434.514	2.018	1	30		IEEFHM
CCCCCC[C@H]1C(=O)N[C@H](C(=O)NC)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026637797	563034284	/nfs/dbraw/zinc/03/42/84/563034284.db2.gz	MTBJWVRZEFKYMZ-AABGKKOBSA-N	-1	3	433.549	2.341	1	30		IEEFHM
COc1cc(Oc2ccc(S(=O)(=O)C[C@@H](C)C(=O)N[O-])cc2)cc(OC)c1OC	ZINC000026739684	563036221	/nfs/dbraw/zinc/03/62/21/563036221.db2.gz	LUOBAMXDTNOZAD-GFCCVEGCSA-N	-1	3	425.459	2.420	1	30		IEEFHM
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/CCc1ccccc1)CC(=O)N[O-]	ZINC000028825757	563066325	/nfs/dbraw/zinc/06/63/25/563066325.db2.gz	RTWRPNRMLWESPM-VLBBBODESA-N	-1	3	448.523	2.396	1	30		IEEFHM
O=C(N[O-])c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)s1	ZINC000028963477	563070875	/nfs/dbraw/zinc/07/08/75/563070875.db2.gz	NDDBGRAAXATVPM-UHFFFAOYSA-N	-1	3	444.538	2.440	1	30		IEEFHM
CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)N[O-])C2CCN(OC(C)(C)C)CC2)cc1	ZINC000034802402	563087704	/nfs/dbraw/zinc/08/77/04/563087704.db2.gz	VAQBMYMELLMZQZ-IBGZPJMESA-N	-1	3	438.546	2.179	1	30		IEEFHM
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)N[O-])C2CCN(OC(C)(C)C)CC2)cc1	ZINC000034802403	563087709	/nfs/dbraw/zinc/08/77/09/563087709.db2.gz	VAQBMYMELLMZQZ-LJQANCHMSA-N	-1	3	438.546	2.179	1	30		IEEFHM
COc1ccc(CCNC(=O)[C@H](CCCCCC(=O)N[O-])NC(=O)c2ccco2)cc1	ZINC000035079654	563089245	/nfs/dbraw/zinc/08/92/45/563089245.db2.gz	LTTGJEVYQFCNFG-SFHVURJKSA-N	-1	3	431.489	2.201	1	30		IEEFHM
O=C(NCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[O-])OCc1ccccc1	ZINC000040980106	563115586	/nfs/dbraw/zinc/11/55/86/563115586.db2.gz	GZJCQGRTERPORI-SFHVURJKSA-N	-1	3	444.444	2.295	1	30		IEEFHM
CCO/N=C1/CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3[C@@H](C)COC)C[C@]1(C)N	ZINC000045301517	563129306	/nfs/dbraw/zinc/12/93/06/563129306.db2.gz	AJRDZROBNGPJBY-WAVONQRYSA-N	-1	3	448.495	2.366	1	30		IEEFHM
O=C(CCCCCNC(=O)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)N[O-]	ZINC000049046263	563136595	/nfs/dbraw/zinc/13/65/95/563136595.db2.gz	NDMLEXAVXKGATA-UHFFFAOYSA-N	-1	3	426.473	2.373	1	30		IEEFHM
O=C(N[O-])[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H]2CC[C@@H](C1)O2	ZINC000101008306	581099720	/nfs/dbraw/zinc/09/97/20/581099720.db2.gz	REZSPXZZCJTZIK-XEMDLRDOSA-N	-1	3	436.461	2.482	1	30		IEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CC(C)C	ZINC000013437598	562986086	/nfs/dbraw/zinc/98/60/86/562986086.db2.gz	KQKNCQBWECCFKI-AABGKKOBSA-N	-1	3	433.549	2.002	1	30		IEEFHM
O=C(N[O-])[C@H]1Cc2cc(O)c(O)cc2CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000013472390	562988039	/nfs/dbraw/zinc/98/80/39/562988039.db2.gz	QSCONFSUAGVLFJ-LJQANCHMSA-N	-1	3	440.477	2.386	1	30		IEEFHM
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3cccc(OC)c3)CC2)cc1	ZINC000013520956	562991190	/nfs/dbraw/zinc/99/11/90/562991190.db2.gz	LCQNQVIUMDNDJS-UHFFFAOYSA-N	-1	3	434.514	2.018	1	30		IEEFHM
COc1ccc(CCN2CCC(C(=O)N[O-])(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1	ZINC000013521035	562991269	/nfs/dbraw/zinc/99/12/69/562991269.db2.gz	VUXKPYYMTYYYCJ-UHFFFAOYSA-N	-1	3	448.541	2.060	1	30		IEEFHM
C[C@@H](C(=O)N[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2cccnc21	ZINC000013863178	563013301	/nfs/dbraw/zinc/01/33/01/563013301.db2.gz	UPOQKNRTSRRUGU-ZDUSSCGKSA-N	-1	3	430.442	2.228	1	30		IEEFHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cc2c3c(nc4ccccc42)OCC3)cc1	ZINC000028821973	563065546	/nfs/dbraw/zinc/06/55/46/563065546.db2.gz	MFRQARGKGNZAFB-RBBKRZOGSA-N	-1	3	447.491	2.401	1	30		IEEFHM
CN1C(=O)N(C[C@@H](COc2ccc(-c3cccc(C#N)c3)cc2)N([O-])C=O)C(=O)C1(C)C	ZINC000029327119	563077993	/nfs/dbraw/zinc/07/79/93/563077993.db2.gz	QQFFLMZJIVBXJZ-IBGZPJMESA-N	-1	3	436.468	2.493	1	30		IEEFHM
C[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@@H]2C(=O)c2c([O-])c([C@]3(O)CC[C@@H](O)[C@H]4O[C@H]43)c[nH]c2=O)C1	ZINC000036378815	563093565	/nfs/dbraw/zinc/09/35/65/563093565.db2.gz	YQTIWISENUYMQD-UOIYJLCQSA-N	-1	3	429.513	2.247	1	30		IEEFHM
O=C(NCCCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[O-])OCc1ccccc1	ZINC000040980104	563115548	/nfs/dbraw/zinc/11/55/48/563115548.db2.gz	MKRVPSJJQDWWOP-SFHVURJKSA-N	-1	3	444.444	2.295	1	30		IEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1cccc(OC)c1)CC(=O)N[O-])C(C)(C)C	ZINC000013742000	563003402	/nfs/dbraw/zinc/00/34/02/563003402.db2.gz	UIQVQDGRTFCYRY-DNVCBOLYSA-N	-1	3	437.537	2.033	1	30		IEEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CCCCOc1ccc(OC)cc1)CC(=O)N[O-])C(C)(C)C	ZINC000013741997	563003404	/nfs/dbraw/zinc/00/34/04/563003404.db2.gz	UDRLJELCMCGPPH-DNVCBOLYSA-N	-1	3	437.537	2.033	1	30		IEEFHM
CCCCC[C@H](CC(=O)N[O-])C(=O)N1NCCC[C@H]1C(=O)N[C@@H](C(=O)CC)[C@@H](C)CC	ZINC000026824369	563037059	/nfs/dbraw/zinc/03/70/59/563037059.db2.gz	IWWYEUSBHSDVOX-PFRQMTDMSA-N	-1	3	440.585	2.084	1	30		IEEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@H](O)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129476	563075382	/nfs/dbraw/zinc/07/53/82/563075382.db2.gz	BVFWOEMSVMBUTK-PIPMEXSNSA-N	-1	3	435.480	2.497	1	30		IEEFHM
COc1ccc(CCNC(=O)[C@@H](CCCCCC(=O)N[O-])NC(=O)c2ccco2)cc1	ZINC000035079653	563089254	/nfs/dbraw/zinc/08/92/54/563089254.db2.gz	LTTGJEVYQFCNFG-GOSISDBHSA-N	-1	3	431.489	2.201	1	30		IEEFHM
O=C1c2ncc3c(c(S(=O)(=O)N4CCCC4)cn3Cc3ccc(F)cc3)c2CCN1[O-]	ZINC000071329755	563162337	/nfs/dbraw/zinc/16/23/37/563162337.db2.gz	BFAHUALOBWCYJX-UHFFFAOYSA-N	-1	3	444.488	2.396	1	30		IEEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCC1	ZINC000013776924	563005971	/nfs/dbraw/zinc/00/59/71/563005971.db2.gz	MXPPQWXYSRGIMR-UZLBHIALSA-N	-1	3	428.533	2.375	1	30		IEEFHM
O=C(N[O-])[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013835753	563012261	/nfs/dbraw/zinc/01/22/61/563012261.db2.gz	ITNSNSYBFZWVPE-OXJNMPFZSA-N	-1	3	431.514	2.212	1	30		IEEFHM
CNC(=O)[C@@H]1CCCc2ccc(cc2)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000013863587	563013400	/nfs/dbraw/zinc/01/34/00/563013400.db2.gz	LKMAUWKMMZAHHV-ZCNNSNEGSA-N	-1	3	433.549	2.197	1	30		IEEFHM
COc1ccc(S(=O)(=O)N2CC(C)(C)[C@H](COCc3ccccc3)[C@@H]2C(=O)N[O-])cc1	ZINC000026828015	563037125	/nfs/dbraw/zinc/03/71/25/563037125.db2.gz	ZAVWWISQYKVWCT-WOJBJXKFSA-N	-1	3	448.541	2.433	1	30		IEEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(c3ccccn3)CC2)cc1	ZINC000028816884	563064580	/nfs/dbraw/zinc/06/45/80/563064580.db2.gz	WHUGMPJJQOVPAC-UHFFFAOYSA-N	-1	3	443.525	2.050	1	30		IEEFHM
CC(C)[C@H](C(=O)N[O-])N(Cc1cccnc1)S(=O)(=O)c1ccc(OCCF)cc1	ZINC000028865130	563067163	/nfs/dbraw/zinc/06/71/63/563067163.db2.gz	PUBARVPHTAEUJQ-GOSISDBHSA-N	-1	3	425.482	2.151	1	30		IEEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3C[C@@H](O)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129474	563075349	/nfs/dbraw/zinc/07/53/49/563075349.db2.gz	BVFWOEMSVMBUTK-RBDMOPTHSA-N	-1	3	435.480	2.497	1	30		IEEFHM
O=C(CCCCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1)N[O-]	ZINC000035079656	563089236	/nfs/dbraw/zinc/08/92/36/563089236.db2.gz	VTSLJCSOQLHIIV-IBGZPJMESA-N	-1	3	442.472	2.466	1	30		IEEFHM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000013544594	560219498	/nfs/dbraw/zinc/21/94/98/560219498.db2.gz	YBHTVSIBHATTHP-PMACEKPBSA-N	-1	3	443.500	2.266	1	30	in-vitro	IEEFHM
O=C(NCCN1CCOCC1)c1nc(-c2ccc3c(c2)CC/C3=N\[O-])c(-c2ccncc2)[nH]1	ZINC000004836250	562943620	/nfs/dbraw/zinc/94/36/20/562943620.db2.gz	YLFZKANLUFOXCY-ZTKZIYFRSA-N	-1	3	446.511	2.325	1	30		IEEFHM
O=C(NCCN1CCOCC1)c1nc(-c2ccncc2)c(-c2ccc3c(c2)CCC3=N[O-])[nH]1	ZINC000004836250	562943621	/nfs/dbraw/zinc/94/36/21/562943621.db2.gz	YLFZKANLUFOXCY-ZTKZIYFRSA-N	-1	3	446.511	2.325	1	30		IEEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N[O-]	ZINC000013808279	563008715	/nfs/dbraw/zinc/00/87/15/563008715.db2.gz	FEWWJFPIJXNCFE-UHFFFAOYSA-N	-1	3	433.364	2.310	1	30		IEEFHM
Cc1cccc(COc2ccc(S(=O)(=O)N3C[C@H](O)CC(C)(C)[C@@H]3C(=O)N[O-])cc2)c1	ZINC000028474040	563055655	/nfs/dbraw/zinc/05/56/55/563055655.db2.gz	LQRPHHDGTPYXHT-XLIONFOSSA-N	-1	3	448.541	2.230	1	30		IEEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)[C@H](C)CC)CC2)cc1	ZINC000028861986	563066772	/nfs/dbraw/zinc/06/67/72/563066772.db2.gz	CBEZXYHTYKUDTE-QGZVFWFLSA-N	-1	3	449.573	2.056	1	30		IEEFHM
CCCCCCCC[C@@H](C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O)[C@@H](C)C(=O)N[O-]	ZINC000034801753	563087524	/nfs/dbraw/zinc/08/75/24/563087524.db2.gz	WQNVXJKGBVCILF-KURKYZTESA-N	-1	3	441.569	2.165	1	30		IEEFHM
CN(C)c1ccc(C(=O)N[C@@H](CCCCCC(=O)N[O-])C(=O)NCc2ccccn2)cc1	ZINC000040577219	563105369	/nfs/dbraw/zinc/10/53/69/563105369.db2.gz	DENFQVRZIWBRGE-FQEVSTJZSA-N	-1	3	441.532	2.018	1	30		IEEFHM
CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C(C)=O)C[C@@]1(C)N	ZINC000045298454	563128882	/nfs/dbraw/zinc/12/88/82/563128882.db2.gz	JTZXNGAOLFZNPH-SYANTJLKSA-N	-1	3	444.463	2.306	1	30		IEEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C(=O)N[O-])cc1	ZINC000013440802	562986182	/nfs/dbraw/zinc/98/61/82/562986182.db2.gz	SKFPUMSNQFTCEZ-LLVKDONJSA-N	-1	3	443.865	2.342	1	30		IEEFHM
O=C(N[O-])[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1	ZINC000013835752	563012225	/nfs/dbraw/zinc/01/22/25/563012225.db2.gz	IIDUBAKXXSWORH-OXJNMPFZSA-N	-1	3	449.504	2.351	1	30		IEEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1cscn1)C(=O)N[O-]	ZINC000026568580	563033176	/nfs/dbraw/zinc/03/31/76/563033176.db2.gz	MSQTUUMPQRCLBP-KBRIMQKVSA-N	-1	3	434.518	2.017	1	30		IEEFHM
CS(=O)(=O)N(C[C@H](O)C(=O)N[O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1	ZINC000029039699	563071926	/nfs/dbraw/zinc/07/19/26/563071926.db2.gz	KCAMDNAUAMLPGX-HNNXBMFYSA-N	-1	3	434.392	2.130	1	30		IEEFHM
Cc1ccc(Oc2ccc(N(C[C@H](NC(=O)C(C)C)C(=O)N[O-])S(C)(=O)=O)cc2)cc1	ZINC000029039821	563071928	/nfs/dbraw/zinc/07/19/28/563071928.db2.gz	HTTNNOVNWHTYRY-IBGZPJMESA-N	-1	3	449.529	2.200	1	30		IEEFHM
COc1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c(O)ccc([O-])c3C2=O)C(C)C)cc1	ZINC000040833957	563107158	/nfs/dbraw/zinc/10/71/58/563107158.db2.gz	KUXYOQWCVFUUPJ-HXUWFJFHSA-N	-1	3	431.466	2.415	1	30		IEEFHM
COc1ccc(S(=O)(=O)N[C@@H](C2=CC(=O)c3c([O-])ccc(O)c3C2=O)C(C)C)cc1	ZINC000040833957	563107160	/nfs/dbraw/zinc/10/71/60/563107160.db2.gz	KUXYOQWCVFUUPJ-HXUWFJFHSA-N	-1	3	431.466	2.415	1	30		IEEFHM
C[C@@H](c1nc2c(cnn2C2CCOCC2)c(=O)[n-]1)N1CC(Oc2ccc(C#N)c(F)c2)C1	ZINC000095572127	563184715	/nfs/dbraw/zinc/18/47/15/563184715.db2.gz	YNMBLAQBTDEPTA-ZDUSSCGKSA-N	-1	3	438.463	2.306	1	30		IEEFHM
O=C(N[O-])[C@]1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H]2CC[C@@H](C1)O2	ZINC000101008307	581099765	/nfs/dbraw/zinc/09/97/65/581099765.db2.gz	REZSPXZZCJTZIK-YRWFTTLQSA-N	-1	3	436.461	2.482	1	30		IEEFHM