smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C#N)ccc1OCC(=O)N1C[C@H](OC)C[C@H]1C(=O)[O-]	ZINC000262173841	269766773	/nfs/dbraw/zinc/76/67/73/269766773.db2.gz	QVRWBYQZHFMBNF-NEPJUHHUSA-N	-1	0	334.328	0.646	10	30		ECEERM
N#Cc1cccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077972	590791599	/nfs/dbraw/zinc/79/15/99/590791599.db2.gz	SFYWVWSQSSAGKP-QGZVFWFLSA-N	-1	0	329.356	0.560	10	30		ECEERM
N#Cc1cccc(CS(=O)(=O)N2CCSC[C@H]2C(=O)[O-])c1	ZINC000214885294	165086728	/nfs/dbraw/zinc/08/67/28/165086728.db2.gz	AAHKEZPVFRAJTF-LBPRGKRZSA-N	-1	0	326.399	0.890	10	30		ECEERM
N#Cc1cccc(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])c1	ZINC000214885238	165087275	/nfs/dbraw/zinc/08/72/75/165087275.db2.gz	AAHKEZPVFRAJTF-GFCCVEGCSA-N	-1	0	326.399	0.890	10	30		ECEERM
O=C([O-])CNC(=O)[C@H](CCS)NC(=O)OCc1ccccc1	ZINC000584604744	439605387	/nfs/dbraw/zinc/60/53/87/439605387.db2.gz	ULKNUGSUNNJPDL-NSHDSACASA-N	-1	0	326.374	0.802	10	30		ECEERM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cccc2cc[nH]c21	ZINC000174260119	609789893	/nfs/dbraw/zinc/78/98/93/609789893.db2.gz	HADQVJQVLOSZDW-CYBMUJFWSA-N	-1	0	345.380	0.747	10	30		ECEERM
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)N[C@H](CS)C(=O)[O-]	ZINC000575169740	438741357	/nfs/dbraw/zinc/74/13/57/438741357.db2.gz	DOUMOUNXKYQRIT-SDNRWEOFSA-N	-1	0	347.462	0.211	10	30		ECEERM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c(F)c1	ZINC000125355172	436768531	/nfs/dbraw/zinc/76/85/31/436768531.db2.gz	UAPNDDFEIRLIQN-VIFPVBQESA-N	-1	0	339.327	0.721	10	30		ECEERM
N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)c(F)c1	ZINC000125354958	222550945	/nfs/dbraw/zinc/55/09/45/222550945.db2.gz	UAPNDDFEIRLIQN-SECBINFHSA-N	-1	0	339.327	0.721	10	30		ECEERM
Cc1[n-][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012575570	436051556	/nfs/dbraw/zinc/05/15/56/436051556.db2.gz	DDPZEPQYFCYPQW-UHFFFAOYSA-N	-1	0	335.389	0.745	10	30		ECEERM
C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263071342	436950521	/nfs/dbraw/zinc/95/05/21/436950521.db2.gz	GTBJILKENZJHKY-DJLDLDEBSA-N	-1	0	343.327	0.518	10	30		ECEERM
C#CCO[N-]C(=O)c1cc(I)c(C)[nH]c1=O	ZINC000584632187	439604769	/nfs/dbraw/zinc/60/47/69/439604769.db2.gz	FJSXVJGDZZEXDX-UHFFFAOYSA-N	-1	0	332.097	0.995	10	30		ECEERM
C/C(=C/C(=O)c1c([O-])c2ccccc2n(C)c1=O)N[C@H](O)[C@@H](C)O	ZINC000222063277	609697179	/nfs/dbraw/zinc/69/71/79/609697179.db2.gz	ORKLWASKKDKZBA-OHJPUNNYSA-N	-1	0	332.356	0.619	10	30		ECEERM
C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263045743	436949219	/nfs/dbraw/zinc/94/92/19/436949219.db2.gz	TZEKCCKUNIFFLX-DJLDLDEBSA-N	-1	0	337.298	0.582	10	30		ECEERM
C=CCOC[C@H](NC(=O)[C@H](NC(=O)c1ccco1)C(C)C)C(=O)[O-]	ZINC000263012581	254511472	/nfs/dbraw/zinc/51/14/72/254511472.db2.gz	NGDWCHBRXGLTEV-WCQYABFASA-N	-1	0	338.360	0.806	10	30		ECEERM
O=C1Nc2ccccc2C1=NOC(=S)[N-][C@H]1C=CS(=O)(=O)C1	ZINC000040168583	213277899	/nfs/dbraw/zinc/27/78/99/213277899.db2.gz	LGBWGSVKCHWEDV-QMMMGPOBSA-N	-1	0	337.382	0.545	10	30		ECEERM
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](CS)C(=O)[O-])cc1	ZINC000013835656	436064187	/nfs/dbraw/zinc/06/41/87/436064187.db2.gz	QARXSZIBKYGHLA-QMMMGPOBSA-N	-1	0	335.432	0.003	10	30		ECEERM
C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263045744	436948906	/nfs/dbraw/zinc/94/89/06/436948906.db2.gz	TZEKCCKUNIFFLX-IWSPIJDZSA-N	-1	0	337.298	0.582	10	30		ECEERM
CN1C(=O)[N-]C(=O)C(=NNc2ccc(Br)cc2)C1=O	ZINC000103660221	277016173	/nfs/dbraw/zinc/01/61/73/277016173.db2.gz	QMPQIZXYHRVDSC-NVNXTCNLSA-N	-1	0	325.122	0.925	10	30		ECEERM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)N[C@H](CS)C(=O)[O-]	ZINC000575169744	438740765	/nfs/dbraw/zinc/74/07/65/438740765.db2.gz	DOUMOUNXKYQRIT-UYAYMFIHSA-N	-1	0	347.462	0.211	10	30		ECEERM
C=CCOC[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C(=O)[O-]	ZINC000263109478	254511626	/nfs/dbraw/zinc/51/16/26/254511626.db2.gz	UPFRLRCSKCAGCP-GFCCVEGCSA-N	-1	0	331.332	0.112	10	30		ECEERM
Nc1c([N+](=O)[O-])c([O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1[N+](=O)[O-]	ZINC000584659564	439607113	/nfs/dbraw/zinc/60/71/13/439607113.db2.gz	YJVPBRBGGVNWEQ-QMMMGPOBSA-N	-1	0	339.176	0.464	10	30		ECEERM
N#CCc1cccc(C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077558	590790746	/nfs/dbraw/zinc/79/07/46/590790746.db2.gz	JFHMWMVHGRGZOV-GOSISDBHSA-N	-1	0	343.383	0.754	10	30		ECEERM
C=CCC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)CCC)C(=O)[O-]	ZINC000262935751	277837321	/nfs/dbraw/zinc/83/73/21/277837321.db2.gz	PJQBJJOFXMXOCG-VXGBXAGGSA-N	-1	0	332.422	0.726	10	30		ECEERM
N#CCN(CC#N)S(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000055313122	214306451	/nfs/dbraw/zinc/30/64/51/214306451.db2.gz	BEXNYMAQCRHMOD-UHFFFAOYSA-N	-1	0	348.134	0.778	10	30		ECEERM
CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263478390	285001726	/nfs/dbraw/zinc/00/17/26/285001726.db2.gz	KCBXVALSDWGZQE-SGMGOOAPSA-N	-1	0	329.422	0.899	10	30		ECEERM
N#Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](CC(N)=O)C(=O)[O-])cc1	ZINC000584605658	439605536	/nfs/dbraw/zinc/60/55/36/439605536.db2.gz	JSHVFBHAVCRLBE-VIFPVBQESA-N	-1	0	329.234	0.782	10	30		ECEERM
C[C@@H](OS(C)(=O)=O)[C@H](C(N)=O)N(Cc1ccccc1)C(=O)[O-]	ZINC000098089831	219082904	/nfs/dbraw/zinc/08/29/04/219082904.db2.gz	MAETWWWFHHVFKB-MWLCHTKSSA-N	-1	0	330.362	0.385	10	30		ECEERM
C[C@H](OS(C)(=O)=O)[C@@H](C(N)=O)N(Cc1ccccc1)C(=O)[O-]	ZINC000098089828	219083271	/nfs/dbraw/zinc/08/32/71/219083271.db2.gz	MAETWWWFHHVFKB-ONGXEEELSA-N	-1	0	330.362	0.385	10	30		ECEERM
NC(=O)[C@H]1C(=O)C(c2ccccc2)=C(N)N1c1ccoc1C(=O)[O-]	ZINC000211762356	241083113	/nfs/dbraw/zinc/08/31/13/241083113.db2.gz	LQGOPJDGLCWFAJ-LLVKDONJSA-N	-1	0	327.296	0.548	10	30		ECEERM
N#Cc1ccc(CS(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])cc1	ZINC000110297525	220027960	/nfs/dbraw/zinc/02/79/60/220027960.db2.gz	STOIFRMPTBLVMO-GFCCVEGCSA-N	-1	0	326.399	0.890	10	30		ECEERM
C=C1CS[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000143487392	436674559	/nfs/dbraw/zinc/67/45/59/436674559.db2.gz	LROYCRSHQNGOQU-MCYUEQNJSA-N	-1	0	347.396	0.096	10	30		ECEERM
N#Cc1cc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])ccc1F	ZINC000214939757	303185868	/nfs/dbraw/zinc/18/58/68/303185868.db2.gz	DPWARAVZCYHULX-LLVKDONJSA-N	-1	0	330.362	0.888	10	30		ECEERM
N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cccc2cc[nH]c21	ZINC000174260134	609789777	/nfs/dbraw/zinc/78/97/77/609789777.db2.gz	HADQVJQVLOSZDW-ZDUSSCGKSA-N	-1	0	345.380	0.747	10	30		ECEERM
O=C([O-])CNC(=O)[C@@H](CCS)NC(=O)OCc1ccccc1	ZINC000584604743	439605278	/nfs/dbraw/zinc/60/52/78/439605278.db2.gz	ULKNUGSUNNJPDL-LLVKDONJSA-N	-1	0	326.374	0.802	10	30		ECEERM
C[C@@H](OS(C)(=O)=O)[C@@H](C(N)=O)N(Cc1ccccc1)C(=O)[O-]	ZINC000098089829	219082835	/nfs/dbraw/zinc/08/28/35/219082835.db2.gz	MAETWWWFHHVFKB-KOLCDFICSA-N	-1	0	330.362	0.385	10	30		ECEERM
O=C1Nc2ccccc2C1=NOC(=S)[N-][C@@H]1C=CS(=O)(=O)C1	ZINC000040168585	213278737	/nfs/dbraw/zinc/27/87/37/213278737.db2.gz	LGBWGSVKCHWEDV-MRVPVSSYSA-N	-1	0	337.382	0.545	10	30		ECEERM
C=CCOC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-]	ZINC000262942972	254511318	/nfs/dbraw/zinc/51/13/18/254511318.db2.gz	HUIHENSEHJIZSD-ZDUSSCGKSA-N	-1	0	331.328	0.169	10	30		ECEERM
C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCOCC1	ZINC000124206876	222391966	/nfs/dbraw/zinc/39/19/66/222391966.db2.gz	AEJYTLMXWPYBLH-JTQLQIEISA-N	-1	0	345.371	0.835	10	30		ECEERM
C=CCC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)CCC)C(=O)[O-]	ZINC000262935739	277837018	/nfs/dbraw/zinc/83/70/18/277837018.db2.gz	PJQBJJOFXMXOCG-NEPJUHHUSA-N	-1	0	332.422	0.726	10	30		ECEERM
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1/C(=N/[O-])c1nonc1N	ZINC000102123072	219187235	/nfs/dbraw/zinc/18/72/35/219187235.db2.gz	OQZVAHOVGVWQFB-UYSITSMJSA-N	-1	0	347.335	0.907	10	30		ECEERM
O=C1Nc2ccccc2C1=NOC(=S)[N-][C@H]1CCS(=O)(=O)C1	ZINC000040168589	213277888	/nfs/dbraw/zinc/27/78/88/213277888.db2.gz	ZUSIEFQGIAAQML-QMMMGPOBSA-N	-1	0	339.398	0.421	10	30		ECEERM
C[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)N1CCOCC1	ZINC000124207154	222391144	/nfs/dbraw/zinc/39/11/44/222391144.db2.gz	AEJYTLMXWPYBLH-SNVBAGLBSA-N	-1	0	345.371	0.835	10	30		ECEERM
N#Cc1ccc(CS(=O)(=O)N2CCSC[C@H]2C(=O)[O-])cc1	ZINC000110297529	303191536	/nfs/dbraw/zinc/19/15/36/303191536.db2.gz	STOIFRMPTBLVMO-LBPRGKRZSA-N	-1	0	326.399	0.890	10	30		ECEERM
Cc1cc(C)n(-c2nnc([N-]N=C3c4ccccc4N(C)C3=O)nn2)n1	ZINC000020353099	202039513	/nfs/dbraw/zinc/03/95/13/202039513.db2.gz	JDOCELJNUVXRIV-GHRIWEEISA-N	-1	0	349.358	0.862	10	30		ECEERM
Cc1cc(N/N=C/c2c([O-])nc3ccccn3c2=O)c2nncn2n1	ZINC000016848352	436097889	/nfs/dbraw/zinc/09/78/89/436097889.db2.gz	VOZPYEPKLGUALW-FRKPEAEDSA-N	-1	0	336.315	0.592	10	30		ECEERM
O=C(ON1C(=O)CCC1=O)c1cc2cc(F)c([O-])c(F)c2oc1=O	ZINC000087528512	436398528	/nfs/dbraw/zinc/39/85/28/436398528.db2.gz	NZYXABPVYJRICY-UHFFFAOYSA-N	-1	0	339.206	0.998	10	30	in-vitro	ECEERM
C=CCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000005455984	201362044	/nfs/dbraw/zinc/36/20/44/201362044.db2.gz	QULKGELYPOJSLP-FXPVBKGRSA-N	-1	0	330.431	0.537	10	30		ECEERM
O=C([O-])Cc1ccc(S(=O)(=O)N/N=C/c2cccc[n+]2[O-])cc1	ZINC000027726588	436181456	/nfs/dbraw/zinc/18/14/56/436181456.db2.gz	BIPNXSSEGOWUCD-XNTDXEJSSA-N	-1	0	335.341	0.260	10	30		ECEERM
N#Cc1cccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077970	590791749	/nfs/dbraw/zinc/79/17/49/590791749.db2.gz	SFYWVWSQSSAGKP-KRWDZBQOSA-N	-1	0	329.356	0.560	10	30		ECEERM
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1/C(=N/[O-])c1nonc1N	ZINC000102123067	204031931	/nfs/dbraw/zinc/03/19/31/204031931.db2.gz	OQZVAHOVGVWQFB-LAZURVMCSA-N	-1	0	347.335	0.907	10	30		ECEERM
CCOC(=O)[N-]S(=O)(=O)c1c(C(=O)OCC)c(Cl)nn1C	ZINC000021989001	202076015	/nfs/dbraw/zinc/07/60/15/202076015.db2.gz	JYINQKAMADSUTB-UHFFFAOYSA-N	-1	0	339.757	0.889	10	30		ECEERM
C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263071345	254511863	/nfs/dbraw/zinc/51/18/63/254511863.db2.gz	GTBJILKENZJHKY-IWSPIJDZSA-N	-1	0	343.327	0.518	10	30		ECEERM
C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-]	ZINC000263165227	254511904	/nfs/dbraw/zinc/51/19/04/254511904.db2.gz	YGPHCQPJVXBCCL-RKDXNWHRSA-N	-1	0	338.282	0.169	10	30		ECEERM
Nc1c([N+](=O)[O-])c([O-])c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1[N+](=O)[O-]	ZINC000584659563	439606722	/nfs/dbraw/zinc/60/67/22/439606722.db2.gz	YJVPBRBGGVNWEQ-MRVPVSSYSA-N	-1	0	339.176	0.464	10	30		ECEERM
NC(=O)[C@@H]1C(=O)C(c2ccccc2)=C(N)N1c1ccoc1C(=O)[O-]	ZINC000211762271	241082771	/nfs/dbraw/zinc/08/27/71/241082771.db2.gz	LQGOPJDGLCWFAJ-NSHDSACASA-N	-1	0	327.296	0.548	10	30		ECEERM
C[C@H](OS(C)(=O)=O)[C@H](C(N)=O)N(Cc1ccccc1)C(=O)[O-]	ZINC000098089830	219083187	/nfs/dbraw/zinc/08/31/87/219083187.db2.gz	MAETWWWFHHVFKB-GXSJLCMTSA-N	-1	0	330.362	0.385	10	30		ECEERM
N#Cc1cc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])ccc1F	ZINC000214939808	303185938	/nfs/dbraw/zinc/18/59/38/303185938.db2.gz	DPWARAVZCYHULX-NSHDSACASA-N	-1	0	330.362	0.888	10	30		ECEERM
N#Cc1c(=O)[n-]c(N2CCOCC2)nc1-c1ccc2c(c1)OCO2	ZINC000223967361	609715763	/nfs/dbraw/zinc/71/57/63/609715763.db2.gz	IUMHDYZGDRQKQF-UHFFFAOYSA-N	-1	0	326.312	0.874	10	30		ECEERM
C=CCOC[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000263180788	254512304	/nfs/dbraw/zinc/51/23/04/254512304.db2.gz	ZOMQJGKEMNHIRS-ZDUSSCGKSA-N	-1	0	346.339	0.445	10	30		ECEERM
O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C/N1CCOCC1	ZINC000198411014	612141170	/nfs/dbraw/zinc/14/11/70/612141170.db2.gz	KTFUQCDHGPHABM-FOWTUZBSSA-N	-1	0	346.383	0.973	10	30		ECEERM
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263192267	284852921	/nfs/dbraw/zinc/85/29/21/284852921.db2.gz	VWSWVRVIGBFTKP-RKDXNWHRSA-N	-1	0	343.327	0.662	10	30		ECEERM
O=C(CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12)N[C@H](CS)C(=O)[O-]	ZINC000095921568	303578529	/nfs/dbraw/zinc/57/85/29/303578529.db2.gz	DOUMOUNXKYQRIT-TURQNECASA-N	-1	0	347.462	0.211	10	30		ECEERM
CN1CCO[C@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000124796610	436757360	/nfs/dbraw/zinc/75/73/60/436757360.db2.gz	ICNSSWHHXBPPMY-SNVBAGLBSA-N	-1	0	331.344	0.445	10	30		ECEERM
C=CCSCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000004214768	210144807	/nfs/dbraw/zinc/14/48/07/210144807.db2.gz	QULKGELYPOJSLP-WCABBAIRSA-N	-1	0	330.431	0.537	10	30	in-man	ECEERM
C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000263246315	254511962	/nfs/dbraw/zinc/51/19/62/254511962.db2.gz	OKTQQHBXKIEOCG-SMDDNHRTSA-N	-1	0	330.406	0.484	10	30		ECEERM
N#CCc1cccc(C(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1	ZINC000886077559	590790800	/nfs/dbraw/zinc/79/08/00/590790800.db2.gz	JFHMWMVHGRGZOV-SFHVURJKSA-N	-1	0	343.383	0.754	10	30		ECEERM
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000263206820	254512244	/nfs/dbraw/zinc/51/22/44/254512244.db2.gz	YITTZNJLOXUYBF-DJLDLDEBSA-N	-1	0	343.327	0.660	10	30		ECEERM
CN1CCO[C@@H](C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000124796843	436757097	/nfs/dbraw/zinc/75/70/97/436757097.db2.gz	ICNSSWHHXBPPMY-JTQLQIEISA-N	-1	0	331.344	0.445	10	30		ECEERM
C=CCOC[C@@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)C(=O)[O-]	ZINC000263180787	254512024	/nfs/dbraw/zinc/51/20/24/254512024.db2.gz	ZOMQJGKEMNHIRS-CYBMUJFWSA-N	-1	0	346.339	0.445	10	30		ECEERM
O=C1Nc2ccccc2C1=NOC(=S)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000040168587	213278150	/nfs/dbraw/zinc/27/81/50/213278150.db2.gz	ZUSIEFQGIAAQML-MRVPVSSYSA-N	-1	0	339.398	0.421	10	30		ECEERM
Cc1nc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1C#N	ZINC000263286767	245382457	/nfs/dbraw/zinc/38/24/57/245382457.db2.gz	PUUVYCHOFAVDBC-ZDUSSCGKSA-N	-1	0	332.360	0.607	10	30		ECEERM