smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)N(C)C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1	ZINC000003820553	562938778	/nfs/dbraw/zinc/93/87/78/562938778.db2.gz	YLYMDJMYRSEUOA-SJORKVTESA-N	-1	3	432.587	1.055	1	30		IDEFHM
O=C(N[O-])[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc(Oc2ccncc2)cc1	ZINC000013472422	562988064	/nfs/dbraw/zinc/98/80/64/562988064.db2.gz	YVCNODGIYPOYBD-GOSISDBHSA-N	-1	3	427.442	1.285	1	30		IDEFHM
COCCCOc1ccc(S(=O)(=O)N2Cc3cc(N)ccc3C[C@@H]2C(=O)N[O-])cc1	ZINC000013472388	562988089	/nfs/dbraw/zinc/98/80/89/562988089.db2.gz	BCBGVNGLPUKOFN-LJQANCHMSA-N	-1	3	435.502	1.305	1	30		IDEFHM
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)N[O-])cc1	ZINC000013840087	563012269	/nfs/dbraw/zinc/01/22/69/563012269.db2.gz	FJMFYVOMLSWPCY-LBPRGKRZSA-N	-1	3	436.446	1.638	1	30		IDEFHM
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)N[O-])cc1	ZINC000013863163	563013309	/nfs/dbraw/zinc/01/33/09/563013309.db2.gz	CPEORQKSEZUEEA-LBPRGKRZSA-N	-1	3	436.446	1.638	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000026639999	563034386	/nfs/dbraw/zinc/03/43/86/563034386.db2.gz	KPJZJSWNHXZALM-SFHVURJKSA-N	-1	3	433.486	1.106	1	30		IDEFHM
Cc1ccc(C)c(COc2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)N[O-])cc2)c1	ZINC000028367163	563053706	/nfs/dbraw/zinc/05/37/06/563053706.db2.gz	NXFDHNJDXVCAMS-TZIWHRDSSA-N	-1	3	435.498	1.682	1	30		IDEFHM
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[C@H]1NC1CC1	ZINC000028708590	563062283	/nfs/dbraw/zinc/06/22/83/563062283.db2.gz	AWLSRFXWNVGMOM-GUTJXLKISA-N	-1	3	429.452	1.902	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)CCC)CC2)cc1	ZINC000034801894	563087502	/nfs/dbraw/zinc/08/75/02/563087502.db2.gz	MTSOZTJGECJILJ-UHFFFAOYSA-N	-1	3	436.530	1.777	1	30		IDEFHM
CN1CC2(CC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000040973623	563115010	/nfs/dbraw/zinc/11/50/10/563115010.db2.gz	HJNKYGBTSGQBDU-HOCLYGCPSA-N	-1	3	441.454	1.355	1	30		IDEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4cnn(C)c4c3)NC(=O)[N-]C1=O)C2	ZINC000064559040	563155932	/nfs/dbraw/zinc/15/59/32/563155932.db2.gz	XMCBWYSBKLBUDX-HSZRJFAPSA-N	-1	3	429.436	1.168	1	30		IDEFHM
CC(C)[C@H](C(=O)N[O-])N(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000073142177	563169055	/nfs/dbraw/zinc/16/90/55/563169055.db2.gz	WHSJFJHSWYAKDM-HXUWFJFHSA-N	-1	3	435.546	1.693	1	30		IDEFHM
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cc(F)cnc3Cl)NC(=O)[N-]C1=O)C2	ZINC000096173608	563195995	/nfs/dbraw/zinc/19/59/95/563195995.db2.gz	AOMGOKVXKMSVSB-HXUWFJFHSA-N	-1	3	446.797	1.608	1	30		IDEFHM
NC(=[NH2+])NCCc1cc([O-])ccc1-c1oc2cc([O-])cc(OCCCO)c2c(=O)c1O	ZINC000085569492	291326878	/nfs/dbraw/zinc/32/68/78/291326878.db2.gz	VIGZJCXYSJAVQN-UHFFFAOYSA-N	-1	3	429.429	1.154	1	30	biogenic,in-vitro	IDEFHM
Cc1ccc(F)cc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC[C@@H]2C(=O)N[O-])cc1	ZINC000003820645	562938774	/nfs/dbraw/zinc/93/87/74/562938774.db2.gz	XQUSEXYSIGIEBX-VQIMIIECSA-N	-1	3	438.477	1.733	1	30		IDEFHM
CCc1ccccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC[C@@H]2C(=O)N[O-])cc1	ZINC000003820648	562938792	/nfs/dbraw/zinc/93/87/92/562938792.db2.gz	XXUCOZXCPFTGGY-YLJYHZDGSA-N	-1	3	434.514	1.847	1	30		IDEFHM
Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)NCCN([C@H](C)C(=O)N[O-])S3(=O)=O)c1	ZINC000013518177	562991114	/nfs/dbraw/zinc/99/11/14/562991114.db2.gz	AVYWYSFUVCHTCM-CQSZACIVSA-N	-1	3	432.502	1.866	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000026580149	563034199	/nfs/dbraw/zinc/03/41/99/563034199.db2.gz	APKANDPILBIUDO-GOSISDBHSA-N	-1	3	448.501	1.498	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)Nc3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000026580150	563034214	/nfs/dbraw/zinc/03/42/14/563034214.db2.gz	APKANDPILBIUDO-SFHVURJKSA-N	-1	3	448.501	1.498	1	30		IDEFHM
CSCC[C@H](NC(=O)[C@H](CCCNC(=O)[C@@H](N)CS)Cc1ccccc1)C(=O)[O-]	ZINC000026665449	563035178	/nfs/dbraw/zinc/03/51/78/563035178.db2.gz	UMMFUJAKLTXUKT-IKGGRYGDSA-N	-1	3	441.619	1.321	1	30		IDEFHM
O=C(CCCSC[C@H](NC(=O)c1cc(=O)cco1)C(=O)NCc1ccccc1)N[O-]	ZINC000026750562	563036619	/nfs/dbraw/zinc/03/66/19/563036619.db2.gz	GXPCGNJHFWDOEN-INIZCTEOSA-N	-1	3	433.486	1.073	1	30		IDEFHM
CC(C)CN1C(NN=Cc2cc(Br)ccc2[O-])=N[C@@H]2[C@@H]1C(=O)NC(=O)N2C	ZINC000028875355	563067631	/nfs/dbraw/zinc/06/76/31/563067631.db2.gz	PJRXMCDOEVDSPB-ASFVKJNISA-N	-1	3	437.298	1.487	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)OCC)C2)cc1	ZINC000028951467	563069610	/nfs/dbraw/zinc/06/96/10/563069610.db2.gz	PPNXUTAPILQZQN-FQEVSTJZSA-N	-1	3	438.502	1.607	1	30		IDEFHM
CC(=O)NCCOc1cc(O)c2c(c1)CC=CC(=O)C(O)=C([O-])CC[C@@H](C)[C@H](C)OC2=O	ZINC000049113605	563138579	/nfs/dbraw/zinc/13/85/79/563138579.db2.gz	MCZYDRMJGGIENC-WENPLSCCSA-N	-1	3	447.484	1.353	1	30		IDEFHM
CC(=O)NCCOc1cc(O)c2c(c1)CC=CC([O-])=C(O)C(=O)CC[C@@H](C)[C@H](C)OC2=O	ZINC000049113605	563138580	/nfs/dbraw/zinc/13/85/80/563138580.db2.gz	MCZYDRMJGGIENC-WENPLSCCSA-N	-1	3	447.484	1.353	1	30		IDEFHM
CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC[C@@]1(C)N	ZINC000071281155	563161442	/nfs/dbraw/zinc/16/14/42/563161442.db2.gz	JOPYFMZOZZUMHZ-NZYROCMPSA-N	-1	3	426.395	1.877	1	30		IDEFHM
COc1c([O-])c(CCNC(N)=[NH2+])c2oc(-c3ccc([O-])cc3)cc(=O)c2c1OCCCO	ZINC000085632991	291323627	/nfs/dbraw/zinc/32/36/27/291323627.db2.gz	DEMSSUOLKJVETM-UHFFFAOYSA-N	-1	3	443.456	1.457	1	30	biogenic,in-vitro	IDEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1	ZINC000000592993	562918459	/nfs/dbraw/zinc/91/84/59/562918459.db2.gz	OUHOPXMPDCBZLB-IEBWSBKVSA-N	-1	3	441.889	1.718	1	30		IDEFHM
N#Cc1cccc(COc2ccc(S(=O)(=O)N3C[C@H](O)CC[C@@H]3C(=O)N[O-])cc2)c1	ZINC000013441644	562986420	/nfs/dbraw/zinc/98/64/20/562986420.db2.gz	VODMHORGCWILKX-VQIMIIECSA-N	-1	3	431.470	1.157	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)N(C)[C@H](CSCc2cccnc2)C(=O)N[O-])cc1	ZINC000013537406	562992573	/nfs/dbraw/zinc/99/25/73/562992573.db2.gz	TXTZEVLHPGQYAR-LJQANCHMSA-N	-1	3	449.554	1.912	1	30		IDEFHM
CCCCCc1ccc(S(=O)(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013835747	563012242	/nfs/dbraw/zinc/01/22/42/563012242.db2.gz	OQWMKRBWGAJEGE-PKOBYXMFSA-N	-1	3	425.551	1.389	1	30		IDEFHM
CNC(=O)[C@@H]1CCCCN(C)C(=O)OCCC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000013863585	563013369	/nfs/dbraw/zinc/01/33/69/563013369.db2.gz	QPXBSLSYKHMQGZ-XHSDSOJGSA-N	-1	3	428.530	1.034	1	30		IDEFHM
CC(=O)OC/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)c1c(C)cc([O-])cc1O)C2	ZINC000014723058	563014944	/nfs/dbraw/zinc/01/49/44/563014944.db2.gz	ZDAMBVJOZXCGPS-PYDVXLROSA-N	-1	3	444.436	1.985	1	30		IDEFHM
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)N[O-])cc1	ZINC000026381179	563031436	/nfs/dbraw/zinc/03/14/36/563031436.db2.gz	CPEORQKSEZUEEA-GFCCVEGCSA-N	-1	3	436.446	1.638	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000026639993	563034381	/nfs/dbraw/zinc/03/43/81/563034381.db2.gz	KPJZJSWNHXZALM-GOSISDBHSA-N	-1	3	433.486	1.106	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N[O-]	ZINC000026937079	563037889	/nfs/dbraw/zinc/03/78/89/563037889.db2.gz	SXOXCZACGQUJNW-FSSWDIPSSA-N	-1	3	449.507	1.338	1	30		IDEFHM
COCO[C@H]1CSC(C)(C)[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(OC)cc2)C1	ZINC000027522054	563042843	/nfs/dbraw/zinc/04/28/43/563042843.db2.gz	XXOLBMKULOJKQR-HIFRSBDPSA-N	-1	3	434.536	1.074	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)C(C)C)C2)cc1	ZINC000028951476	563069622	/nfs/dbraw/zinc/06/96/22/563069622.db2.gz	UVFPNZAMZZIJLE-OAQYLSRUSA-N	-1	3	436.530	1.633	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)c(OC)c1	ZINC000040935604	563112678	/nfs/dbraw/zinc/11/26/78/563112678.db2.gz	RPNXTTKDAJIASR-JTQLQIEISA-N	-1	3	433.438	1.787	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)c(OC)c1	ZINC000040935604	563112679	/nfs/dbraw/zinc/11/26/79/563112679.db2.gz	RPNXTTKDAJIASR-JTQLQIEISA-N	-1	3	433.438	1.787	1	30		IDEFHM
CN1CCOc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)C(=NNC3=NCCN3)CC4)cc21	ZINC000045300379	563129140	/nfs/dbraw/zinc/12/91/40/563129140.db2.gz	LPULTYDZZMPHIN-MOHJPFBDSA-N	-1	3	440.529	1.515	1	30		IDEFHM
CO[C@@]12[C@@H]3N[C@@H]3CN1c1c(c([O-])c(N=C3C=CC(=S)C=C3)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053271055	563141617	/nfs/dbraw/zinc/14/16/17/563141617.db2.gz	CSELOTHZEURTSY-PGDDNOQISA-N	-1	3	442.497	1.670	1	30		IDEFHM
Cc1c([O-])c(CC2=C3C=C(C)OC=C3[C@H](O)[C@@](C)(O)C2=O)c(O)c2c1C[C@H](C)OC2=O	ZINC000103237815	560052341	/nfs/dbraw/zinc/05/23/41/560052341.db2.gz	UJXVDLGXWVPAKY-QBJZILEJSA-N	-1	3	428.437	1.859	1	30	biogenic,in-vitro	IDEFHM
C#CCSC[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	ZINC000003821457	562938824	/nfs/dbraw/zinc/93/88/24/562938824.db2.gz	FVTCRHGTLFGMDE-QYZOEREBSA-N	-1	3	433.574	1.610	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)N[O-])C2CCN(C(=O)C3CC3)CC2)cc1	ZINC000013586037	562995113	/nfs/dbraw/zinc/99/51/13/562995113.db2.gz	LJPYOTNMYOBJHB-LJQANCHMSA-N	-1	3	434.514	1.385	1	30		IDEFHM
CCCC(=O)NCCCC[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)NC	ZINC000013741988	563003299	/nfs/dbraw/zinc/00/32/99/563003299.db2.gz	FPIZTGFSDBBQIE-MSOLQXFVSA-N	-1	3	434.537	1.058	1	30		IDEFHM
CCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@H](C(=O)N[O-])C1	ZINC000013804684	563008360	/nfs/dbraw/zinc/00/83/60/563008360.db2.gz	ZFYWVXBCKVCYOL-KRWDZBQOSA-N	-1	3	442.538	1.165	1	30		IDEFHM
CC(C)N(C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1)S(C)(=O)=O	ZINC000026726590	563035843	/nfs/dbraw/zinc/03/58/43/563035843.db2.gz	VWOQXPBXOWHZCH-MSOLQXFVSA-N	-1	3	431.599	1.987	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3F)cc2)[C@H]1C(=O)N[O-]	ZINC000028365004	563053613	/nfs/dbraw/zinc/05/36/13/563053613.db2.gz	DIHHYKCLOAQWIB-AZUAARDMSA-N	-1	3	438.477	1.814	1	30		IDEFHM
Cc1ncccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)N[O-])cc1	ZINC000028394319	563054599	/nfs/dbraw/zinc/05/45/99/563054599.db2.gz	OIJUXVJLPZUPIP-AZUAARDMSA-N	-1	3	435.502	1.379	1	30		IDEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)C(C)C)CC2)cc1	ZINC000028861990	563066777	/nfs/dbraw/zinc/06/67/77/563066777.db2.gz	DYUKSKSACQYNBM-UHFFFAOYSA-N	-1	3	435.546	1.666	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@]1(CC(=O)N[O-])CCCc2ccccc21	ZINC000029463354	563080241	/nfs/dbraw/zinc/08/02/41/563080241.db2.gz	CSMCSZQEOPGKEA-GBXCKJPGSA-N	-1	3	439.512	1.638	1	30		IDEFHM
COc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc(OC)c1[O-]	ZINC000045245474	563126590	/nfs/dbraw/zinc/12/65/90/563126590.db2.gz	HCEZVBRDIYKRGI-HYARGMPZSA-N	-1	3	444.492	1.319	1	30		IDEFHM
CO[C@]12[C@@H]3N[C@@H]3CN1c1c(c([O-])c(/N=C3\C=CC(=O)C=C3C)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053271017	563141585	/nfs/dbraw/zinc/14/15/85/563141585.db2.gz	WGVDQAVSXSDCBZ-HWUWGPNOSA-N	-1	3	440.456	1.260	1	30		IDEFHM
C=C1C[C@@H](C(=O)Nc2ccc(F)c[n+]2[O-])N(C(=O)[C@H](CC2CCCC2)CN([O-])C=O)C1	ZINC000066079489	563157886	/nfs/dbraw/zinc/15/78/86/563157886.db2.gz	KFKJLSHOXGPUMI-AEFFLSMTSA-N	-1	3	434.468	1.599	1	30		IDEFHM
N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000071318288	563162061	/nfs/dbraw/zinc/16/20/61/563162061.db2.gz	YGHNIVJEKSKDJB-WOJBJXKFSA-N	-1	3	442.516	1.643	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)C3CC3)C[C@H]2C(=O)N[O-])cc1	ZINC000001490494	562922312	/nfs/dbraw/zinc/92/23/12/562922312.db2.gz	HDOJQDDADGGFGH-IBGZPJMESA-N	-1	3	445.497	1.517	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1	ZINC000013441617	562986413	/nfs/dbraw/zinc/98/64/13/562986413.db2.gz	RIYWMJMELHHCTR-KBXCAEBGSA-N	-1	3	440.905	1.938	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)C2CCCCC2)C(=O)N[O-])cc1	ZINC000026187862	563029847	/nfs/dbraw/zinc/02/98/47/563029847.db2.gz	ONKPGVZMKGJLJJ-QGZVFWFLSA-N	-1	3	427.523	1.324	1	30		IDEFHM
CC(C)(C)[C@H](NC(=O)[C@H](Cc1ccc2cc(F)c(F)cc2c1)[C@H](O)C(=O)N[O-])C(N)=O	ZINC000026938976	563037935	/nfs/dbraw/zinc/03/79/35/563037935.db2.gz	GPIRSWQBXHWGSJ-XOKHGSTOSA-N	-1	3	437.443	1.159	1	30		IDEFHM
COCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)N[O-])CC(C)C	ZINC000027081778	563039042	/nfs/dbraw/zinc/03/90/42/563039042.db2.gz	KBMRFWMMFAQRGW-BEFAXECRSA-N	-1	3	432.521	1.516	1	30		IDEFHM
COC(=O)c1csc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N[O-])c1OC	ZINC000027522623	563042792	/nfs/dbraw/zinc/04/27/92/563042792.db2.gz	QESMDPOTHYLJHG-ZDUSSCGKSA-N	-1	3	426.472	1.164	1	30		IDEFHM
CS(=O)(=O)NCCNCc1noc([C@H](CCCC2CCCCC2)CC(=O)N[O-])n1	ZINC000028701884	563061439	/nfs/dbraw/zinc/06/14/39/563061439.db2.gz	BHXASXZDZWDXAM-OAHLLOKOSA-N	-1	3	431.559	1.438	1	30		IDEFHM
Cc1ncccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@H]2C(=O)N[O-])cc1	ZINC000028973839	563071362	/nfs/dbraw/zinc/07/13/62/563071362.db2.gz	OIJUXVJLPZUPIP-UYAOXDASSA-N	-1	3	435.502	1.379	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@]1(CC(=O)N[O-])CCc2ccccc21	ZINC000029414352	563080010	/nfs/dbraw/zinc/08/00/10/563080010.db2.gz	NGPYAKUTLOLROR-CVDCTZTESA-N	-1	3	425.485	1.248	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@]1(CC(=O)N[O-])CCCc2ccccc21	ZINC000029463358	563080207	/nfs/dbraw/zinc/08/02/07/563080207.db2.gz	CSMCSZQEOPGKEA-RDPSFJRHSA-N	-1	3	439.512	1.638	1	30		IDEFHM
CO/N=C1\CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCF)c3c2F)CC[C@]1(C)N	ZINC000071281152	563161456	/nfs/dbraw/zinc/16/14/56/563161456.db2.gz	JOPYFMZOZZUMHZ-BBMHEYIBSA-N	-1	3	426.395	1.877	1	30		IDEFHM
N#Cc1ccc(COc2ccc(S(=O)(=O)N3CC[C@H](O)C[C@@H]3C(=O)N[O-])cc2)cc1	ZINC000013441630	562986409	/nfs/dbraw/zinc/98/64/09/562986409.db2.gz	CLPSJCJXXQNCHD-QFBILLFUSA-N	-1	3	431.470	1.157	1	30		IDEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1	ZINC000013776927	563005961	/nfs/dbraw/zinc/00/59/61/563005961.db2.gz	SBOCVCYAEHVMEA-UZLBHIALSA-N	-1	3	444.532	1.612	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)Nc2ccccc2)C(=O)N[O-])cc1	ZINC000026188644	563029907	/nfs/dbraw/zinc/02/99/07/563029907.db2.gz	VPPAXKBRHJVVMG-QGZVFWFLSA-N	-1	3	436.490	1.449	1	30		IDEFHM
CC(=O)OCCOCCN1CCN(C2=C(Cl)C(=O)c3c([O-])ccc(O)c3C2=O)CC1	ZINC000031853471	563083629	/nfs/dbraw/zinc/08/36/29/563083629.db2.gz	ZAXJDBZUUWQDON-UHFFFAOYSA-N	-1	3	438.864	1.125	1	30		IDEFHM
CC(=O)OCCOCCN1CCN(C2=C(Cl)C(=O)c3c(O)ccc([O-])c3C2=O)CC1	ZINC000031853471	563083630	/nfs/dbraw/zinc/08/36/30/563083630.db2.gz	ZAXJDBZUUWQDON-UHFFFAOYSA-N	-1	3	438.864	1.125	1	30		IDEFHM
COc1ccc(/C=C/C(=O)N2C[C@@H](NC(=O)c3cccnc3)C[C@@H]2C(=O)N[O-])cc1OC	ZINC000056822799	563142698	/nfs/dbraw/zinc/14/26/98/563142698.db2.gz	AKOSAZUQCGCWJD-AAAWEMBMSA-N	-1	3	440.456	1.017	1	30		IDEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000000592995	562918382	/nfs/dbraw/zinc/91/83/82/562918382.db2.gz	RQCXYESMODRPPY-IEBWSBKVSA-N	-1	3	441.889	1.718	1	30		IDEFHM
COCO[C@@H]1CSC(C)(C)[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(OC)cc2)C1	ZINC000013801785	563007903	/nfs/dbraw/zinc/00/79/03/563007903.db2.gz	XXOLBMKULOJKQR-ZFWWWQNUSA-N	-1	3	434.536	1.074	1	30		IDEFHM
CSCC[C@H](NC(=O)c1cccc2c1CCC[C@@H]2NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000026666876	563035206	/nfs/dbraw/zinc/03/52/06/563035206.db2.gz	UZIWHKQLPXQKNL-JYJNAYRXSA-N	-1	3	425.576	1.373	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1C(=O)N[O-]	ZINC000028393721	563054466	/nfs/dbraw/zinc/05/44/66/563054466.db2.gz	BMHWXBBJSOMNRF-PZJWPPBQSA-N	-1	3	445.497	1.547	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973733	563071306	/nfs/dbraw/zinc/07/13/06/563071306.db2.gz	KPWHSOUKRWDBAT-UYAOXDASSA-N	-1	3	438.477	1.814	1	30		IDEFHM
CO[C@]12[C@@H]3N[C@@H]3CN1c1c(c([O-])c(N=C3C=CC(=S)C=C3)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053271051	563141582	/nfs/dbraw/zinc/14/15/82/563141582.db2.gz	CSELOTHZEURTSY-SKVLZSBVSA-N	-1	3	442.497	1.670	1	30		IDEFHM
N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000071318287	563162066	/nfs/dbraw/zinc/16/20/66/563162066.db2.gz	YGHNIVJEKSKDJB-VQTJNVASSA-N	-1	3	442.516	1.643	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1	ZINC000095614442	563194256	/nfs/dbraw/zinc/19/42/56/563194256.db2.gz	IWKMSLYRBYXTNT-RDGPPVDQSA-N	-1	3	430.505	1.087	1	30		IDEFHM
CC(C)OC(=O)N(C)[C@@H]1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1	ZINC000096308883	563197365	/nfs/dbraw/zinc/19/73/65/563197365.db2.gz	VLUAXQQDRZDFOF-UFYCRDLUSA-N	-1	3	444.532	1.631	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)C3CC3)C[C@@H]2C(=O)N[O-])cc1	ZINC000003820451	562938808	/nfs/dbraw/zinc/93/88/08/562938808.db2.gz	HDOJQDDADGGFGH-LJQANCHMSA-N	-1	3	445.497	1.517	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000003873589	562939175	/nfs/dbraw/zinc/93/91/75/562939175.db2.gz	DNGGPLKVDUPXFN-SFHVURJKSA-N	-1	3	449.485	1.212	1	30		IDEFHM
CCCCCC(=O)Nc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)N[O-])cc1	ZINC000013472415	562988031	/nfs/dbraw/zinc/98/80/31/562988031.db2.gz	JBHQSJUCIFBCPE-GOSISDBHSA-N	-1	3	447.517	1.616	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)NC2CCCCC2)C(=O)N[O-])cc1	ZINC000026181088	563029608	/nfs/dbraw/zinc/02/96/08/563029608.db2.gz	BDLQFGZEEORNCJ-QGZVFWFLSA-N	-1	3	442.538	1.260	1	30		IDEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Oc3cc(Cl)ccn3)cc2)CCOCC1	ZINC000027078889	563039018	/nfs/dbraw/zinc/03/90/18/563039018.db2.gz	ILDOICSWRSOHSV-UHFFFAOYSA-N	-1	3	427.866	1.860	1	30		IDEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)N[O-])cc1	ZINC000028392340	563054471	/nfs/dbraw/zinc/05/44/71/563054471.db2.gz	FYNYGUYHKZWCAU-PZJWPPBQSA-N	-1	3	434.514	1.984	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)C(C)C)C2)cc1	ZINC000028951478	563069596	/nfs/dbraw/zinc/06/95/96/563069596.db2.gz	UVFPNZAMZZIJLE-NRFANRHFSA-N	-1	3	436.530	1.633	1	30		IDEFHM
O=C(N[O-])c1cnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)s1	ZINC000028963495	563070918	/nfs/dbraw/zinc/07/09/18/563070918.db2.gz	KPDDJYNSRQPTKP-UHFFFAOYSA-N	-1	3	436.437	1.792	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973763	563071335	/nfs/dbraw/zinc/07/13/35/563071335.db2.gz	BMHWXBBJSOMNRF-TZIWHRDSSA-N	-1	3	445.497	1.547	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cccc(F)c3)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973727	563071339	/nfs/dbraw/zinc/07/13/39/563071339.db2.gz	BXQLLVHURXNRLY-UYAOXDASSA-N	-1	3	438.477	1.814	1	30		IDEFHM
CS(=O)(=O)N1CC2(CC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1C=C[C@@H](c2ccccc2)CC1	ZINC000029038087	563071667	/nfs/dbraw/zinc/07/16/67/563071667.db2.gz	RAJATBMMJHSJNJ-SQNIBIBYSA-N	-1	3	433.530	1.452	1	30		IDEFHM
CS(=O)(=O)N(C[C@H](O)C(=O)N[O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	ZINC000029127660	563074953	/nfs/dbraw/zinc/07/49/53/563074953.db2.gz	QOLXVMJRZKRSEE-ZDUSSCGKSA-N	-1	3	435.380	1.525	1	30		IDEFHM
COC[C@H](C)n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC/C(=N/OC)[C@](C)(N)C3)cc21	ZINC000045290314	563128723	/nfs/dbraw/zinc/12/87/23/563128723.db2.gz	YKFAEDZVVLMSAJ-ONQQVJIBSA-N	-1	3	434.468	1.976	1	30		IDEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)cc2)CCOCC1	ZINC000049035380	563136217	/nfs/dbraw/zinc/13/62/17/563136217.db2.gz	XFIZGIIZTOASLY-UHFFFAOYSA-N	-1	3	445.541	1.842	1	30		IDEFHM
CCOC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1	ZINC000064348879	563152667	/nfs/dbraw/zinc/15/26/67/563152667.db2.gz	LEDBPUXJSGILKQ-XYNVCNIGSA-N	-1	3	446.393	1.757	1	30		IDEFHM
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[O-]	ZINC000084739744	563178974	/nfs/dbraw/zinc/17/89/74/563178974.db2.gz	PDCBRTORNXRNSI-ACRUOGEOSA-N	-1	3	440.544	1.320	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1	ZINC000095614441	563194267	/nfs/dbraw/zinc/19/42/67/563194267.db2.gz	IWKMSLYRBYXTNT-VJANTYMQSA-N	-1	3	430.505	1.087	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)N[O-]	ZINC000011536252	562978897	/nfs/dbraw/zinc/97/88/97/562978897.db2.gz	KPWHSOUKRWDBAT-AZUAARDMSA-N	-1	3	438.477	1.814	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2cccc(Cl)c2)cc1	ZINC000013441615	562986405	/nfs/dbraw/zinc/98/64/05/562986405.db2.gz	QUHKOMQMEHKSHH-MAUKXSAKSA-N	-1	3	440.905	1.938	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)N[C@H](CSCc2cccnc2)C(=O)N[O-])cc1	ZINC000013537400	562992440	/nfs/dbraw/zinc/99/24/40/562992440.db2.gz	XDSILIXRMZXTNX-GOSISDBHSA-N	-1	3	435.527	1.569	1	30		IDEFHM
COC(=O)c1csc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N[O-])c1OC	ZINC000013797738	563007604	/nfs/dbraw/zinc/00/76/04/563007604.db2.gz	QESMDPOTHYLJHG-CYBMUJFWSA-N	-1	3	426.472	1.164	1	30		IDEFHM
CCCCCCCC[C@H](CC(=O)N[O-])C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O	ZINC000014299653	563014444	/nfs/dbraw/zinc/01/44/44/563014444.db2.gz	USDAGEMRRVCVKK-SJORKVTESA-N	-1	3	427.542	1.919	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)Nc2ccccc2)C(=O)N[O-])cc1	ZINC000026183309	563029713	/nfs/dbraw/zinc/02/97/13/563029713.db2.gz	VPPAXKBRHJVVMG-KRWDZBQOSA-N	-1	3	436.490	1.449	1	30		IDEFHM
CSCC[C@H](NC(=O)c1cccc2c1CCC[C@H]2NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000026666881	563035219	/nfs/dbraw/zinc/03/52/19/563035219.db2.gz	UZIWHKQLPXQKNL-XHSDSOJGSA-N	-1	3	425.576	1.373	1	30		IDEFHM
CSCC[C@H](NC(=O)[C@@H](/C=C/CNC(=O)[C@@H](N)CS)Cc1ccccc1)C(=O)[O-]	ZINC000026668829	563035288	/nfs/dbraw/zinc/03/52/88/563035288.db2.gz	XHZGOVQCEPHXAO-HQBUCEQDSA-N	-1	3	439.603	1.097	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cccc(F)c3)cc2)[C@H]1C(=O)N[O-]	ZINC000028362053	563053476	/nfs/dbraw/zinc/05/34/76/563053476.db2.gz	BXQLLVHURXNRLY-AZUAARDMSA-N	-1	3	438.477	1.814	1	30		IDEFHM
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCCCO)cc2)[C@H]1C(=O)N[O-]	ZINC000028571178	563059188	/nfs/dbraw/zinc/05/91/88/563059188.db2.gz	GHZXWVPNZMUKBT-KRWDZBQOSA-N	-1	3	442.559	1.231	1	30		IDEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@H]2C(=O)N[O-])cc1	ZINC000028973749	563071352	/nfs/dbraw/zinc/07/13/52/563071352.db2.gz	FYNYGUYHKZWCAU-TZIWHRDSSA-N	-1	3	434.514	1.984	1	30		IDEFHM
O=C(C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1)N1CCCC1	ZINC000036410535	563095243	/nfs/dbraw/zinc/09/52/43/563095243.db2.gz	JQTQTEMWCRRECT-GIVPXCGWSA-N	-1	3	442.560	1.886	1	30		IDEFHM
CO[C@@]12[C@@H]3N[C@@H]3CN1c1c(c([O-])c(/N=C3\C=CC(=O)C=C3C)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053271021	563141588	/nfs/dbraw/zinc/14/15/88/563141588.db2.gz	WGVDQAVSXSDCBZ-QYMSMBKKSA-N	-1	3	440.456	1.260	1	30		IDEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-n4ccnc4)cc3)NC(=O)[N-]C1=O)C2	ZINC000096173595	563195967	/nfs/dbraw/zinc/19/59/67/563195967.db2.gz	VLHCVRXTEYYSJY-XMMPIXPASA-N	-1	3	441.447	1.467	1	30		IDEFHM
CC(C)OC(=O)N(C)[C@H]1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1	ZINC000096308882	563197356	/nfs/dbraw/zinc/19/73/56/563197356.db2.gz	VLUAXQQDRZDFOF-AABGKKOBSA-N	-1	3	444.532	1.631	1	30		IDEFHM
CC(C)C(=O)N(C)[C@@H]1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1	ZINC000096308879	563197403	/nfs/dbraw/zinc/19/74/03/563197403.db2.gz	VVWOQMJGNBQWHG-UFYCRDLUSA-N	-1	3	428.533	1.269	1	30		IDEFHM
N#Cc1cccc(COc2ccc(S(=O)(=O)N3CC[C@H](O)C[C@@H]3C(=O)N[O-])cc2)c1	ZINC000013441632	562986426	/nfs/dbraw/zinc/98/64/26/562986426.db2.gz	ZPGDUPIWHDBXOW-QFBILLFUSA-N	-1	3	431.470	1.157	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)N[C@@H](CSCc2cccnc2)C(=O)N[O-])cc1	ZINC000013537397	562992484	/nfs/dbraw/zinc/99/24/84/562992484.db2.gz	XDSILIXRMZXTNX-SFHVURJKSA-N	-1	3	435.527	1.569	1	30		IDEFHM
CCCCOc1ccc(S(=O)(=O)N2CCCS(=O)(=O)C(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000013801767	563007889	/nfs/dbraw/zinc/00/78/89/563007889.db2.gz	NOXYNXIAEWTFQX-INIZCTEOSA-N	-1	3	448.563	1.327	1	30		IDEFHM
O=C(CCC(=O)N1CCC[C@@H]1C(=O)N[O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026006710	563028281	/nfs/dbraw/zinc/02/82/81/563028281.db2.gz	KMJFJBMSSCZXHP-WOJBJXKFSA-N	-1	3	437.496	1.873	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)NC2CCCCC2)C(=O)N[O-])cc1	ZINC000026188413	563029894	/nfs/dbraw/zinc/02/98/94/563029894.db2.gz	BDLQFGZEEORNCJ-KRWDZBQOSA-N	-1	3	442.538	1.260	1	30		IDEFHM
CSCC[C@H](NC(=O)[C@H](CCCNC(=O)[C@@H](N)CS)Cc1cccs1)C(=O)[O-]	ZINC000026674687	563035459	/nfs/dbraw/zinc/03/54/59/563035459.db2.gz	HMBVZGUDIZJMIK-SNPRPXQTSA-N	-1	3	447.648	1.383	1	30		IDEFHM
O=C(CCCSC[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)NCc1ccccc1)NO	ZINC000026816655	563036738	/nfs/dbraw/zinc/03/67/38/563036738.db2.gz	DZYHUNVZPQLAHW-INIZCTEOSA-N	-1	3	447.513	1.531	1	30		IDEFHM
Cc1ncccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028477695	563055802	/nfs/dbraw/zinc/05/58/02/563055802.db2.gz	AFKFHHGAXGELQR-APWZRJJASA-N	-1	3	449.529	1.625	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)N2C[C@H](CCO)SC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028572160	563059568	/nfs/dbraw/zinc/05/95/68/563059568.db2.gz	MGQZHWBYKGXMDX-RDJZCZTQSA-N	-1	3	442.559	1.230	1	30		IDEFHM
CC#CCNc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)OCC)C2)cc1	ZINC000028951527	563069616	/nfs/dbraw/zinc/06/96/16/563069616.db2.gz	UAIMSPBCAMKARB-FQEVSTJZSA-N	-1	3	437.518	1.640	1	30		IDEFHM
O=C(C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1)N1CCCC1	ZINC000036410534	563095222	/nfs/dbraw/zinc/09/52/22/563095222.db2.gz	JQTQTEMWCRRECT-JBACZVJFSA-N	-1	3	442.560	1.886	1	30		IDEFHM
CCOC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1	ZINC000058568875	563144683	/nfs/dbraw/zinc/14/46/83/563144683.db2.gz	LEDBPUXJSGILKQ-CNLLAAFTSA-N	-1	3	446.393	1.757	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000000580494	562918176	/nfs/dbraw/zinc/91/81/76/562918176.db2.gz	DNGGPLKVDUPXFN-GOSISDBHSA-N	-1	3	449.485	1.212	1	30	in-vivo	IDEFHM
Nc1ccc(Oc2ccc(S(=O)(=O)N3Cc4nccnc4C[C@@H]3C(=O)N[O-])cc2)cc1	ZINC000013472420	562988085	/nfs/dbraw/zinc/98/80/85/562988085.db2.gz	VHBDFXSZFWLEHM-LJQANCHMSA-N	-1	3	441.469	1.472	1	30		IDEFHM
CSCCCOc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)N[O-])cc1	ZINC000013472399	562988100	/nfs/dbraw/zinc/98/81/00/562988100.db2.gz	MZDBZDVRFOCGQL-QGZVFWFLSA-N	-1	3	438.531	1.230	1	30		IDEFHM
COc1ccc(S(=O)(=O)N(CC(=O)N[O-])Cc2cc(OC)c(OC)c(OC)c2)cc1	ZINC000013764107	563005533	/nfs/dbraw/zinc/00/55/33/563005533.db2.gz	LJWJQJURYGEEAB-UHFFFAOYSA-N	-1	3	440.474	1.417	1	30		IDEFHM
CCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013804681	563008334	/nfs/dbraw/zinc/00/83/34/563008334.db2.gz	ZFYWVXBCKVCYOL-QGZVFWFLSA-N	-1	3	442.538	1.165	1	30		IDEFHM
O=C(CCC(=O)N1CCC[C@H]1C(=O)N[O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026006703	563028302	/nfs/dbraw/zinc/02/83/02/563028302.db2.gz	KMJFJBMSSCZXHP-UXHICEINSA-N	-1	3	437.496	1.873	1	30		IDEFHM
CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccn1)C(=O)N[O-]	ZINC000026503285	563032868	/nfs/dbraw/zinc/03/28/68/563032868.db2.gz	ZVKIKSILMJNGHG-ATZDWAIDSA-N	-1	3	428.489	1.955	1	30		IDEFHM
CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@@H](N)CS)Cc1ccccc1)C(=O)[O-]	ZINC000026669373	563035296	/nfs/dbraw/zinc/03/52/96/563035296.db2.gz	UMMFUJAKLTXUKT-ULQDDVLXSA-N	-1	3	441.619	1.321	1	30		IDEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N[O-]	ZINC000026938068	563037897	/nfs/dbraw/zinc/03/78/97/563037897.db2.gz	QIEPHWUEHNPMJF-HKBOAZHASA-N	-1	3	435.480	1.078	1	30		IDEFHM
Cc1ccc(COc2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)N[O-])cc2)c(C)c1	ZINC000028382525	563054059	/nfs/dbraw/zinc/05/40/59/563054059.db2.gz	YPTZORUBNMNKDA-TZIWHRDSSA-N	-1	3	435.498	1.682	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)c(OC)c1	ZINC000040935606	563112670	/nfs/dbraw/zinc/11/26/70/563112670.db2.gz	RPNXTTKDAJIASR-SNVBAGLBSA-N	-1	3	433.438	1.787	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)c(OC)c1	ZINC000040935606	563112671	/nfs/dbraw/zinc/11/26/71/563112671.db2.gz	RPNXTTKDAJIASR-SNVBAGLBSA-N	-1	3	433.438	1.787	1	30		IDEFHM
COC[C@H](C)n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC/C(=N/OC)[C@@](C)(N)C3)cc21	ZINC000045290311	563128711	/nfs/dbraw/zinc/12/87/11/563128711.db2.gz	YKFAEDZVVLMSAJ-GMWQOVRBSA-N	-1	3	434.468	1.976	1	30		IDEFHM
C[C@@H](O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3cccs3)cc2)CC1)C(=O)N[O-]	ZINC000066066348	563157118	/nfs/dbraw/zinc/15/71/18/563157118.db2.gz	BGMLRMYNTMCKBD-DNVCBOLYSA-N	-1	3	428.514	1.234	1	30		IDEFHM
N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000071318286	563162107	/nfs/dbraw/zinc/16/21/07/563162107.db2.gz	YGHNIVJEKSKDJB-UXHICEINSA-N	-1	3	442.516	1.643	1	30		IDEFHM
COc1cccc(COc2ccc(S(=O)(=O)N3CC[C@H](O)C[C@@H]3C(=O)N[O-])cc2)c1	ZINC000013441625	562986401	/nfs/dbraw/zinc/98/64/01/562986401.db2.gz	HESLKHVXAOLKPX-HNAYVOBHSA-N	-1	3	436.486	1.294	1	30		IDEFHM
Nc1ccc2c(c1)CN(S(=O)(=O)c1ccc(Oc3ncccn3)cc1)[C@@H](C(=O)N[O-])C2	ZINC000013472387	562988046	/nfs/dbraw/zinc/98/80/46/562988046.db2.gz	COWLCMOASLCJGB-GOSISDBHSA-N	-1	3	441.469	1.472	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)N(C)[C@@H](CSCc2cccnc2)C(=O)N[O-])cc1	ZINC000013537403	562992481	/nfs/dbraw/zinc/99/24/81/562992481.db2.gz	TXTZEVLHPGQYAR-IBGZPJMESA-N	-1	3	449.554	1.912	1	30		IDEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N[O-]	ZINC000013808271	563008706	/nfs/dbraw/zinc/00/87/06/563008706.db2.gz	NJSAPXUDAYVTFL-UHFFFAOYSA-N	-1	3	444.809	1.853	1	30		IDEFHM
O=C(CCC(=O)N1CCC[C@H]1C(=O)N[O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026006716	563028277	/nfs/dbraw/zinc/02/82/77/563028277.db2.gz	KMJFJBMSSCZXHP-PMACEKPBSA-N	-1	3	437.496	1.873	1	30		IDEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccncc1)C(=O)NCc1ccccc1	ZINC000026277631	563030542	/nfs/dbraw/zinc/03/05/42/563030542.db2.gz	BCORPMHFJPQWGD-WOJBJXKFSA-N	-1	3	426.517	1.983	1	30		IDEFHM
O=C(N[C@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N[O-])c1ccncc1	ZINC000026647361	563034560	/nfs/dbraw/zinc/03/45/60/563034560.db2.gz	CSOXBXQTKUQXJU-LJQANCHMSA-N	-1	3	441.465	1.952	1	30		IDEFHM
O=C(CCCSC[C@H](NC(=O)CCc1ccccn1)C(=O)NCc1ccccc1)N[O-]	ZINC000026817431	563036694	/nfs/dbraw/zinc/03/66/94/563036694.db2.gz	VNIISOCLUUDFTB-IBGZPJMESA-N	-1	3	444.557	1.834	1	30		IDEFHM
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)N[O-])cc1	ZINC000027558199	563043940	/nfs/dbraw/zinc/04/39/40/563043940.db2.gz	FJMFYVOMLSWPCY-GFCCVEGCSA-N	-1	3	436.446	1.638	1	30		IDEFHM
CC(C)CN1C(NN=Cc2cc(Br)ccc2[O-])=N[C@@H]2[C@H]1C(=O)NC(=O)N2C	ZINC000028875361	563067612	/nfs/dbraw/zinc/06/76/12/563067612.db2.gz	PJRXMCDOEVDSPB-CQDUBHCWSA-N	-1	3	437.298	1.487	1	30		IDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3F)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973723	563071366	/nfs/dbraw/zinc/07/13/66/563071366.db2.gz	DIHHYKCLOAQWIB-UYAOXDASSA-N	-1	3	438.477	1.814	1	30		IDEFHM
CS(=O)(=O)N1CC2(CC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1C=C[C@H](c2ccccc2)CC1	ZINC000029038086	563071680	/nfs/dbraw/zinc/07/16/80/563071680.db2.gz	RAJATBMMJHSJNJ-BZSNNMDCSA-N	-1	3	433.530	1.452	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)N[O-])Cc2ccccc2C1	ZINC000029464692	563080310	/nfs/dbraw/zinc/08/03/10/563080310.db2.gz	AXESAACSMUYKPF-IBGZPJMESA-N	-1	3	425.485	1.149	1	30		IDEFHM
CCCCCCCCCC[S@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000043352417	563120104	/nfs/dbraw/zinc/12/01/04/563120104.db2.gz	WEIMMLJFQRUMOU-LPVAGMTQSA-N	-1	3	441.594	1.751	1	30		IDEFHM
CCCCCCCCCC[S@@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000043352414	563120144	/nfs/dbraw/zinc/12/01/44/563120144.db2.gz	WEIMMLJFQRUMOU-HRLAQWGSSA-N	-1	3	441.594	1.751	1	30		IDEFHM
COc1ccc(S(=O)(=O)N(CCC(=O)N[O-])CCc2ccc(OC)c(OC)c2)cc1	ZINC000060049695	563146917	/nfs/dbraw/zinc/14/69/17/563146917.db2.gz	LQILVJSHKXFSDG-UHFFFAOYSA-N	-1	3	438.502	1.841	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1	ZINC000096308876	563197421	/nfs/dbraw/zinc/19/74/21/563197421.db2.gz	YDJAXPJDHWQNLF-UFYCRDLUSA-N	-1	3	442.516	1.387	1	30	in-vivo	IDEFHM
O=C(N[O-])[C@H]1C[C@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CCC(c2ccccc2)CC1	ZINC000096308884	563197426	/nfs/dbraw/zinc/19/74/26/563197426.db2.gz	XLCDJKIIBWOGQT-UFYCRDLUSA-N	-1	3	444.532	1.477	1	30		IDEFHM
O=C(N[O-])[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1	ZINC000000592998	562918461	/nfs/dbraw/zinc/91/84/61/562918461.db2.gz	OTYJRWAMIOUIHN-IEBWSBKVSA-N	-1	3	441.889	1.718	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCOCc1ccccc1)CC(=O)N[O-]	ZINC000003813621	562938468	/nfs/dbraw/zinc/93/84/68/562938468.db2.gz	MJERYQQJZATKQA-RTWAWAEBSA-N	-1	3	441.528	1.969	1	30		IDEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@@H]2C(=O)N[O-])cc1	ZINC000013553163	562992814	/nfs/dbraw/zinc/99/28/14/562992814.db2.gz	NOTPJXXSHYGYMI-OXJNMPFZSA-N	-1	3	433.530	1.773	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)N[O-])C2CCN(C(=O)C3CC3)CC2)cc1	ZINC000013586035	562995141	/nfs/dbraw/zinc/99/51/41/562995141.db2.gz	LJPYOTNMYOBJHB-IBGZPJMESA-N	-1	3	434.514	1.385	1	30		IDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)CCc2ccccc2)C(=O)N[O-])cc1	ZINC000026183573	563029754	/nfs/dbraw/zinc/02/97/54/563029754.db2.gz	OOMRFUSBLXXQCU-LJQANCHMSA-N	-1	3	449.529	1.377	1	30		IDEFHM
CC(C)CN1C(NN=Cc2cc(Br)ccc2[O-])=N[C@H]2[C@H]1C(=O)NC(=O)N2C	ZINC000028875368	563067645	/nfs/dbraw/zinc/06/76/45/563067645.db2.gz	PJRXMCDOEVDSPB-SZSGCKGGSA-N	-1	3	437.298	1.487	1	30		IDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)OCC)C2)cc1	ZINC000028951465	563069614	/nfs/dbraw/zinc/06/96/14/563069614.db2.gz	PPNXUTAPILQZQN-HXUWFJFHSA-N	-1	3	438.502	1.607	1	30		IDEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)cc1	ZINC000040919101	563112020	/nfs/dbraw/zinc/11/20/20/563112020.db2.gz	IGPXNRZCWKMQRG-NSHDSACASA-N	-1	3	445.449	1.947	1	30		IDEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)cc1	ZINC000040919101	563112021	/nfs/dbraw/zinc/11/20/21/563112021.db2.gz	IGPXNRZCWKMQRG-NSHDSACASA-N	-1	3	445.449	1.947	1	30		IDEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c(O)ccc([O-])c3C2=O)cc1	ZINC000040919102	563112059	/nfs/dbraw/zinc/11/20/59/563112059.db2.gz	IGPXNRZCWKMQRG-LLVKDONJSA-N	-1	3	445.449	1.947	1	30		IDEFHM
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2=CC(=O)c3c([O-])ccc(O)c3C2=O)cc1	ZINC000040919102	563112060	/nfs/dbraw/zinc/11/20/60/563112060.db2.gz	IGPXNRZCWKMQRG-LLVKDONJSA-N	-1	3	445.449	1.947	1	30		IDEFHM
CC(C)C(=O)N(C)[C@H]1CN[C@H](C(=O)N2CC=C(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1	ZINC000096308878	563197381	/nfs/dbraw/zinc/19/73/81/563197381.db2.gz	VVWOQMJGNBQWHG-AABGKKOBSA-N	-1	3	428.533	1.269	1	30		IDEFHM
O=C(N[O-])[C@H]1CCCCN1S(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1	ZINC000003923429	562939371	/nfs/dbraw/zinc/93/93/71/562939371.db2.gz	HFLIURRFGRQVSH-LJQANCHMSA-N	-1	3	449.533	1.320	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000013441613	562986394	/nfs/dbraw/zinc/98/63/94/562986394.db2.gz	QYSRKEKGXZIJBG-MAUKXSAKSA-N	-1	3	440.905	1.938	1	30		IDEFHM
O=C(CCC(=O)N1CCC[C@@H]1C(=O)N[O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026006723	563028309	/nfs/dbraw/zinc/02/83/09/563028309.db2.gz	KMJFJBMSSCZXHP-VQTJNVASSA-N	-1	3	437.496	1.873	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000026638034	563034279	/nfs/dbraw/zinc/03/42/79/563034279.db2.gz	CTCOBJWAVVPWJG-OAHLLOKOSA-N	-1	3	429.495	1.201	1	30		IDEFHM
CCCN(C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1)S(C)(=O)=O	ZINC000026731890	563035897	/nfs/dbraw/zinc/03/58/97/563035897.db2.gz	PTYZKNZXNKWTEF-MSOLQXFVSA-N	-1	3	431.599	1.989	1	30		IDEFHM
Cc1cccc(C)c1COc1ccc(S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)N[O-])cc1	ZINC000028372952	563053874	/nfs/dbraw/zinc/05/38/74/563053874.db2.gz	SGQACAXGGCVZOS-TZIWHRDSSA-N	-1	3	435.498	1.682	1	30		IDEFHM
CC(C)CN1C(NN=Cc2cc(Br)ccc2[O-])=N[C@H]2[C@@H]1C(=O)NC(=O)N2C	ZINC000028875364	563067597	/nfs/dbraw/zinc/06/75/97/563067597.db2.gz	PJRXMCDOEVDSPB-SKURSVJHSA-N	-1	3	437.298	1.487	1	30		IDEFHM
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC[C@@H]1NC1CC1	ZINC000028708589	563062266	/nfs/dbraw/zinc/06/22/66/563062266.db2.gz	AWLSRFXWNVGMOM-LOMYJAPHSA-N	-1	3	429.452	1.902	1	30		IDEFHM
CC#CCNc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)OCC)C2)cc1	ZINC000028951526	563069620	/nfs/dbraw/zinc/06/96/20/563069620.db2.gz	UAIMSPBCAMKARB-HXUWFJFHSA-N	-1	3	437.518	1.640	1	30		IDEFHM
CS(=O)(=O)N(C[C@H](O)C(=O)N[O-])c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1	ZINC000029128085	563075031	/nfs/dbraw/zinc/07/50/31/563075031.db2.gz	UNYQRNBJIKAMKU-INIZCTEOSA-N	-1	3	448.419	1.917	1	30		IDEFHM
COC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccccc1	ZINC000058655356	563146019	/nfs/dbraw/zinc/14/60/19/563146019.db2.gz	NGDLTCQBSIFEHL-WYVFAYCESA-N	-1	3	432.366	1.367	1	30		IDEFHM
CC(C)(O)[C@@H](NC(=O)N1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1)C(=O)N[O-]	ZINC000066078981	563157840	/nfs/dbraw/zinc/15/78/40/563157840.db2.gz	TZAOADWGCUDGTN-NRFANRHFSA-N	-1	3	436.512	1.563	1	30		IDEFHM
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[O-]	ZINC000071318285	563162045	/nfs/dbraw/zinc/16/20/45/563162045.db2.gz	YGHNIVJEKSKDJB-PMACEKPBSA-N	-1	3	442.516	1.643	1	30	in-vitro	IDEFHM
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(C)n[nH]c4c3)NC(=O)[N-]C1=O)C2	ZINC000096173523	563195976	/nfs/dbraw/zinc/19/59/76/563195976.db2.gz	NEXBICIFHWLETE-HSZRJFAPSA-N	-1	3	429.436	1.466	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@@H](OC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1	ZINC000096308877	563197408	/nfs/dbraw/zinc/19/74/08/563197408.db2.gz	YDJAXPJDHWQNLF-AABGKKOBSA-N	-1	3	442.516	1.387	1	30		IDEFHM
O=C(N[O-])[C@@H]1CCCCN1S(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1	ZINC000005494188	562943952	/nfs/dbraw/zinc/94/39/52/562943952.db2.gz	HFLIURRFGRQVSH-IBGZPJMESA-N	-1	3	449.533	1.320	1	30		IDEFHM
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(CCOc3ccccc3)CC2)cc1	ZINC000013521056	562991240	/nfs/dbraw/zinc/99/12/40/562991240.db2.gz	YJOSMOCGEMCNLK-UHFFFAOYSA-N	-1	3	434.514	1.888	1	30		IDEFHM
O=C(N[O-])[C@H]1C[C@H](N2CCOCC2)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013835748	563012238	/nfs/dbraw/zinc/01/22/38/563012238.db2.gz	MTGNBEKVSCTMSE-OXJNMPFZSA-N	-1	3	447.513	1.448	1	30		IDEFHM
CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@@H](N)CS)Cc1cccs1)C(=O)[O-]	ZINC000026668317	563035265	/nfs/dbraw/zinc/03/52/65/563035265.db2.gz	HMBVZGUDIZJMIK-QEJZJMRPSA-N	-1	3	447.648	1.383	1	30		IDEFHM
CS(=O)(=O)N(C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1)C1CC1	ZINC000026729849	563035972	/nfs/dbraw/zinc/03/59/72/563035972.db2.gz	QHRUJPVXLYJUEM-MSOLQXFVSA-N	-1	3	429.583	1.741	1	30		IDEFHM
Cc1ccc(Oc2ccc(N(C[C@H](C(=O)N[O-])N3CCOCC3)S(C)(=O)=O)cc2)cc1	ZINC000029039946	563071861	/nfs/dbraw/zinc/07/18/61/563071861.db2.gz	VJUDEGHVGRIZAQ-HXUWFJFHSA-N	-1	3	449.529	1.760	1	30		IDEFHM
Cc1ccc(Oc2ccc(N(C[C@@H](C(=O)N[O-])N3CCOCC3)S(C)(=O)=O)cc2)cc1	ZINC000029039950	563071898	/nfs/dbraw/zinc/07/18/98/563071898.db2.gz	VJUDEGHVGRIZAQ-FQEVSTJZSA-N	-1	3	449.529	1.760	1	30		IDEFHM
CO[C@]12[C@H]3[C@@H](CN1c1c(c([O-])c(N=C4C=CC(=O)C=C4)c(C)c1O)[C@@H]2COC(N)=O)N3C	ZINC000053132194	563141020	/nfs/dbraw/zinc/14/10/20/563141020.db2.gz	JHMJQQVAQQGDII-QNACTVIJSA-N	-1	3	440.456	1.212	1	30		IDEFHM
COC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(C)cc1	ZINC000058582757	563145178	/nfs/dbraw/zinc/14/51/78/563145178.db2.gz	CPDHJIGEZCVMRB-CNLLAAFTSA-N	-1	3	446.393	1.675	1	30		IDEFHM
Cc1ccc(S(=O)(=O)N(CCn2cc(CCCF)nn2)[C@@H](C(=O)N[O-])C(C)C)cc1	ZINC000096934265	563199325	/nfs/dbraw/zinc/19/93/25/563199325.db2.gz	XMVQXBAGOTVZDD-GOSISDBHSA-N	-1	3	441.529	1.710	1	30		IDEFHM
C[C@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1C(=O)N[O-]	ZINC000011525600	562978910	/nfs/dbraw/zinc/97/89/10/562978910.db2.gz	KPWHSOUKRWDBAT-ICSRJNTNSA-N	-1	3	438.477	1.814	1	30		IDEFHM
N#Cc1ccccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC[C@@H]2C(=O)N[O-])cc1	ZINC000013441646	562986398	/nfs/dbraw/zinc/98/63/98/562986398.db2.gz	PBIRCNBIZATFIL-VQIMIIECSA-N	-1	3	431.470	1.157	1	30		IDEFHM
COc1ccccc1COc1ccc(S(=O)(=O)N2CC[C@H](O)C[C@@H]2C(=O)N[O-])cc1	ZINC000013441627	562986452	/nfs/dbraw/zinc/98/64/52/562986452.db2.gz	QXWGXKRGYXQPPV-MAUKXSAKSA-N	-1	3	436.486	1.294	1	30		IDEFHM
CC[C@H](C)[C@H](NC(=O)[C@@H](NCCCS)C(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000013734906	563002247	/nfs/dbraw/zinc/00/22/47/563002247.db2.gz	HLPYFIXSYAAADB-VGWMRTNUSA-N	-1	3	435.656	1.774	1	30		IDEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(=O)c1ccccc1)C(=O)N[O-])C(C)(C)C	ZINC000013802380	563007962	/nfs/dbraw/zinc/00/79/62/563007962.db2.gz	FLACUUZPSKFFIA-IXDOHACOSA-N	-1	3	434.537	1.230	1	30		IDEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1cccnc1)C(=O)NCc1ccccc1	ZINC000026293922	563030940	/nfs/dbraw/zinc/03/09/40/563030940.db2.gz	UIHJPRDGPQZWAH-WOJBJXKFSA-N	-1	3	426.517	1.983	1	30		IDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)N[O-])cc1	ZINC000026638039	563034287	/nfs/dbraw/zinc/03/42/87/563034287.db2.gz	CTCOBJWAVVPWJG-HNNXBMFYSA-N	-1	3	429.495	1.201	1	30		IDEFHM
CC(C)S(=O)(=O)N(C)C[C@H](C(=O)N[O-])[C@@H](CC1CCCC1)C(=O)N1CCCCC1	ZINC000026736063	563036129	/nfs/dbraw/zinc/03/61/29/563036129.db2.gz	ZBTKKYFIZQHNDQ-MSOLQXFVSA-N	-1	3	431.599	1.987	1	30		IDEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc2ccccc2s1)[C@H](O)C(=O)N[O-]	ZINC000026937056	563037899	/nfs/dbraw/zinc/03/78/99/563037899.db2.gz	YYBJSJBMMZVDPB-AOIWGVFYSA-N	-1	3	441.509	1.139	1	30		IDEFHM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@]1(CC(=O)N[O-])CCc2ccccc21	ZINC000029464686	563080303	/nfs/dbraw/zinc/08/03/03/563080303.db2.gz	NGPYAKUTLOLROR-WMZHIEFXSA-N	-1	3	425.485	1.248	1	30		IDEFHM
C[C@@H]1CCC([O-])=C(O)C(=O)C=CCc2cc(N3CCOCC3)cc(O)c2C(=O)O[C@H]1C	ZINC000038412600	563097676	/nfs/dbraw/zinc/09/76/76/563097676.db2.gz	SIOWWLWUULGGSP-QLELARBRSA-N	-1	3	431.485	1.674	1	30		IDEFHM
C[C@@H]1CCC(=O)C(O)=C([O-])C=CCc2cc(N3CCOCC3)cc(O)c2C(=O)O[C@H]1C	ZINC000038412600	563097678	/nfs/dbraw/zinc/09/76/78/563097678.db2.gz	SIOWWLWUULGGSP-QLELARBRSA-N	-1	3	431.485	1.674	1	30		IDEFHM
O=C(N[O-])[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1	ZINC000073311156	563172311	/nfs/dbraw/zinc/17/23/11/563172311.db2.gz	LXQUQEBAZBLBEJ-HNNXBMFYSA-N	-1	3	446.890	1.383	1	30		IDEFHM
Cc1ccc2nc(C)n([N-]C(=O)C(C#N)=NNc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1	ZINC000084709953	563177242	/nfs/dbraw/zinc/17/72/42/563177242.db2.gz	GNBQMJSCGGJHKB-JJIBRWJFSA-N	-1	3	439.457	1.372	1	30		IDEFHM