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=C2C(=O)N(C)C(=O)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036044810	202312650	/nfs/dbraw/zinc/31/26/50/202312650.db2.gz	APFKHCJPFFAUOI-UHFFFAOYSA-N	-1	0	335.272	0.743	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000002307293	435966162	/nfs/dbraw/zinc/96/61/62/435966162.db2.gz	AKNAYTYXPRZCNJ-FMIVXFBMSA-N	-1	0	336.779	0.958	50	10		ECCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CC(N)=O)c3ccccc23)C1=O	ZINC000004819205	435983690	/nfs/dbraw/zinc/98/36/90/435983690.db2.gz	QYHDLCTUMYBUEI-KPKJPENVSA-N	-1	0	340.339	0.608	50	10		ECCARM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(N3CCOCC3)cc2)[nH]1	ZINC000004998243	435984576	/nfs/dbraw/zinc/98/45/76/435984576.db2.gz	PFDIVRLXNHSQJZ-UTCJRWHESA-N	-1	0	344.327	0.978	50	10		ECCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCc1cccnc1	ZINC000019831067	202022907	/nfs/dbraw/zinc/02/29/07/202022907.db2.gz	ZONUNZARRHFNJP-UKTHLTGXSA-N	-1	0	326.312	0.927	50	10		ECCARM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000106377234	436593521	/nfs/dbraw/zinc/59/35/21/436593521.db2.gz	DQHPOGRRSMURCE-YRNVUSSQSA-N	-1	0	344.302	0.724	50	10		ECCARM
O=C([O-])c1cc(NC(=O)C[C@H]2SC(=S)NC2=O)ccc1O	ZINC000034926894	202281582	/nfs/dbraw/zinc/28/15/82/202281582.db2.gz	CTHNOJDGYHHRNI-MRVPVSSYSA-N	-1	0	326.355	0.936	50	10		ECCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNN1CCOCC1	ZINC000009008331	436032964	/nfs/dbraw/zinc/03/29/64/436032964.db2.gz	XWJZKXVLAOADLT-RAXLEYEMSA-N	-1	0	330.344	0.826	50	10		ECCARM
O=C([O-])COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O	ZINC000000476146	206241572	/nfs/dbraw/zinc/24/15/72/206241572.db2.gz	ZMKSATNXFQTDLX-UHFFFAOYSA-N	-1	0	340.744	0.718	50	10		ECCARM
CCOC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000003117723	435970325	/nfs/dbraw/zinc/97/03/25/435970325.db2.gz	RXHZJDJGASMLSZ-UHFFFAOYSA-N	-1	0	348.311	0.387	50	10		ECCARM
CC(C)NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000002957125	201553115	/nfs/dbraw/zinc/55/31/15/201553115.db2.gz	ROROSFBKHOPJLK-UHFFFAOYSA-N	-1	0	331.328	0.339	50	10		ECCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNN1CCOCC1	ZINC000009235214	304655176	/nfs/dbraw/zinc/65/51/76/304655176.db2.gz	PEZDTTHLWKDWGQ-XFXZXTDPSA-N	-1	0	334.307	0.970	50	10		ECCARM
COCCCN1C(=O)[N-]C(=O)C(=CNc2cccc3nonc32)C1=O	ZINC000017113210	436098920	/nfs/dbraw/zinc/09/89/20/436098920.db2.gz	PLSLNPUFGURLMD-CMDGGOBGSA-N	-1	0	345.315	0.634	50	10		ECCARM
O=C1[N-]C(=O)C(=Cc2cc3c(cc2Br)OCO3)C(=O)N1	ZINC000001399091	280278451	/nfs/dbraw/zinc/27/84/51/280278451.db2.gz	GROSIPKLEJHTBE-UHFFFAOYSA-N	-1	0	339.101	0.927	50	10		ECCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCOCC2)C1=O	ZINC000017162881	436100870	/nfs/dbraw/zinc/10/08/70/436100870.db2.gz	FZLRMAVQAIPQNG-BENRWUELSA-N	-1	0	330.344	0.503	50	10		ECCARM
O=C(Nc1cccc([N+](=O)[O-])c1)C(O)=C1SC(=S)[N-]C1=O	ZINC000106402620	436594446	/nfs/dbraw/zinc/59/44/46/436594446.db2.gz	FDZGOIPOSBETRC-MRVPVSSYSA-N	-1	0	325.327	0.619	50	10		ECCARM
O=C(NC1CC1)C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000069559290	436781590	/nfs/dbraw/zinc/78/15/90/436781590.db2.gz	XQYIESZRYKLLAR-UHFFFAOYSA-N	-1	0	348.359	0.223	50	10		ECCARM
Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccc(N2CCOCC2)cc1	ZINC000020615016	436110737	/nfs/dbraw/zinc/11/07/37/436110737.db2.gz	PXSAOIIFQBLLHF-UHFFFAOYSA-N	-1	0	344.371	0.885	50	10		ECCARM
O=C([O-])COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl	ZINC000000452641	435956065	/nfs/dbraw/zinc/95/60/65/435956065.db2.gz	LNFKEDHEOYPXTI-UHFFFAOYSA-N	-1	0	340.744	0.718	50	10		ECCARM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000230223965	436716736	/nfs/dbraw/zinc/71/67/36/436716736.db2.gz	ADDBNBREKJVDGF-XYOKQWHBSA-N	-1	0	340.339	0.894	50	10		ECCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(C)C1=O	ZINC000019814628	212071535	/nfs/dbraw/zinc/07/15/35/212071535.db2.gz	SXIBLICFIHIRMJ-HQQGHWSLSA-N	-1	0	342.380	0.825	50	10		ECCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCOCC1	ZINC000019994851	212093275	/nfs/dbraw/zinc/09/32/75/212093275.db2.gz	APTFQLFGHOZQGW-KTKRTIGZSA-N	-1	0	334.307	0.970	50	10		ECCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNC3CC3)C2=O)c1	ZINC000006090439	435997894	/nfs/dbraw/zinc/99/78/94/435997894.db2.gz	JNESSMVWFRAYGC-DHZHZOJOSA-N	-1	0	331.328	0.923	50	10		ECCARM
CC1=NN(c2ccc(F)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000075252492	436157880	/nfs/dbraw/zinc/15/78/80/436157880.db2.gz	DQHPOGRRSMURCE-XFFZJAGNSA-N	-1	0	344.302	0.724	50	10		ECCARM
COC(=O)c1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)NC3=O)sc2c1	ZINC000044827520	436349564	/nfs/dbraw/zinc/34/95/64/436349564.db2.gz	MKCTWYHGMICCHB-UHFFFAOYSA-N	-1	0	346.324	0.745	50	10		ECCARM
COc1ccc(N2CCN(c3ccc(=O)n(CC(=O)[O-])n3)CC2)cc1	ZINC000951726886	612514628	/nfs/dbraw/zinc/51/46/28/612514628.db2.gz	NJXCEQTWSLIIMV-UHFFFAOYSA-N	-1	0	344.371	0.663	50	10		ECCARM
CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)N(C)C1=S	ZINC000004723753	210260350	/nfs/dbraw/zinc/26/03/50/210260350.db2.gz	BNBDXNDCBWWJTM-UHFFFAOYSA-N	-1	0	334.353	0.749	50	10		ECCARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100524836	219101259	/nfs/dbraw/zinc/10/12/59/219101259.db2.gz	GFLQGDFQSKXCKU-SOLLPLKKSA-N	-1	0	340.390	0.248	50	10		ECCARM
CN(C)c1ccc([C@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)cc1	ZINC000101761618	219161941	/nfs/dbraw/zinc/16/19/41/219161941.db2.gz	PQLOSHFYHMXABD-GFCCVEGCSA-N	-1	0	343.387	0.294	50	10		ECCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(C(N)=O)CC2)cc1	ZINC000034926562	213000791	/nfs/dbraw/zinc/00/07/91/213000791.db2.gz	NZLQZNZZAYGKRY-UHFFFAOYSA-N	-1	0	349.387	0.310	50	10		ECCARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2n1	ZINC000008453287	210953780	/nfs/dbraw/zinc/95/37/80/210953780.db2.gz	XLKHQWRUASSMFH-ISLYRVAYSA-N	-1	0	347.360	0.976	50	10		ECCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(I)o2)C1=O	ZINC000000229850	276879725	/nfs/dbraw/zinc/87/97/25/276879725.db2.gz	PIBVGTYAJWNQJI-GQCTYLIASA-N	-1	0	346.080	0.976	50	10		ECCARM
O=C1c2ccccc2C(=O)c2c3n[nH]nc3c(S(=O)(=O)[O-])cc21	ZINC000033941946	304722009	/nfs/dbraw/zinc/72/20/09/304722009.db2.gz	YDCWBUDKVKLHLT-UHFFFAOYSA-N	-1	0	329.293	0.980	50	10		ECCARM
O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCO1	ZINC000606441781	439408427	/nfs/dbraw/zinc/40/84/27/439408427.db2.gz	UKMOBSGMPYSKFC-UYZDIKGJSA-N	-1	0	346.383	0.848	50	10		ECCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC[C@H](C(N)=O)C2)cc1	ZINC000034926563	213001147	/nfs/dbraw/zinc/00/11/47/213001147.db2.gz	NUUFWCVIEUJANM-LBPRGKRZSA-N	-1	0	349.387	0.310	50	10		ECCARM
O=C([O-])CNS(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000012042477	211283397	/nfs/dbraw/zinc/28/33/97/211283397.db2.gz	OJIRAJFTKIJEMZ-UHFFFAOYSA-N	-1	0	345.332	0.825	50	10		ECCARM
CCN1CCN(C(=O)CN(CC(=O)[O-])c2ccc(OC)cc2)CC1	ZINC000034926536	213001504	/nfs/dbraw/zinc/00/15/04/213001504.db2.gz	WAYAYCBLLWFLDN-UHFFFAOYSA-N	-1	0	335.404	0.750	50	10		ECCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)cc1C	ZINC000005118914	210393573	/nfs/dbraw/zinc/39/35/73/210393573.db2.gz	VSVXRWYWRKJRTM-GXDHUFHOSA-N	-1	0	344.371	0.607	50	10		ECCARM
COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1OCC(=O)[O-]	ZINC000004913940	210321032	/nfs/dbraw/zinc/32/10/32/210321032.db2.gz	LYEXSGFOVXCEIT-UHFFFAOYSA-N	-1	0	336.325	0.073	50	10		ECCARM
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c([O-])c([N+](=O)[O-])c1	ZINC000015016439	294975083	/nfs/dbraw/zinc/97/50/83/294975083.db2.gz	GLTSZOGUTQRIIN-UHFFFAOYSA-N	-1	0	335.272	0.743	50	10		ECCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(C)C1=O	ZINC000005854880	435994123	/nfs/dbraw/zinc/99/41/23/435994123.db2.gz	SXIBLICFIHIRMJ-LCFDYFRESA-N	-1	0	342.380	0.825	50	10		ECCARM
CCS(=O)(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2[O-])CC1	ZINC000069569411	436780413	/nfs/dbraw/zinc/78/04/13/436780413.db2.gz	DVTBMZQGAZJAEG-UHFFFAOYSA-N	-1	0	329.378	0.768	50	10		ECCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCOCC1	ZINC000036559484	132391616	/nfs/dbraw/zinc/39/16/16/132391616.db2.gz	APTFQLFGHOZQGW-MDZDMXLPSA-N	-1	0	334.307	0.334	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000002237635	435965003	/nfs/dbraw/zinc/96/50/03/435965003.db2.gz	LENLIWSGGBAJAU-KTKRTIGZSA-N	-1	0	336.779	0.958	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000002284085	435965654	/nfs/dbraw/zinc/96/56/54/435965654.db2.gz	PHUYMFNXWBBWGT-FMIVXFBMSA-N	-1	0	336.779	0.958	50	10		ECCARM
O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCO1	ZINC000606441780	439410277	/nfs/dbraw/zinc/41/02/77/439410277.db2.gz	UKMOBSGMPYSKFC-QQNRWZHASA-N	-1	0	346.383	0.848	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000002208797	435964723	/nfs/dbraw/zinc/96/47/23/435964723.db2.gz	PYIYDSFPMURVFK-MDZDMXLPSA-N	-1	0	336.392	0.609	50	10		ECCARM
Cc1no[n+]([O-])c1COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000002937137	435972346	/nfs/dbraw/zinc/97/23/46/435972346.db2.gz	OQQHGKIJYAYZSS-UHFFFAOYSA-N	-1	0	344.283	0.785	50	10		ECCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C/NN1CCOCC1	ZINC000005557498	435988408	/nfs/dbraw/zinc/98/84/08/435988408.db2.gz	MWMIYEUUPMLKOF-WYMLVPIESA-N	-1	0	348.403	0.676	50	10		ECCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNCCCO)C2=O)cc1	ZINC000006000142	750398058	/nfs/dbraw/zinc/39/80/58/750398058.db2.gz	NXHIZEGIRAQUTP-RAXLEYEMSA-N	-1	0	333.344	0.524	50	10		ECCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCCn1ccnc1	ZINC000100782736	219106520	/nfs/dbraw/zinc/10/65/20/219106520.db2.gz	HOAKUUQDCAJTCW-UKTHLTGXSA-N	-1	0	343.343	0.618	50	10		ECCARM
COc1cc([N+](=O)[O-])cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1[O-]	ZINC000055459506	277389323	/nfs/dbraw/zinc/38/93/23/277389323.db2.gz	WVPZCEDCBBTJIF-UHFFFAOYSA-N	-1	0	335.272	0.743	50	10		ECCARM
CN(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1	ZINC000101763598	219162228	/nfs/dbraw/zinc/16/22/28/219162228.db2.gz	ZPGSKYTUMDLMEW-NSHDSACASA-N	-1	0	329.360	0.284	50	10		ECCARM
CC(C)c1ccc(N2C(=O)/C(=C/NNCCO)C(=O)[N-]C2=S)cc1	ZINC000013550893	436063296	/nfs/dbraw/zinc/06/32/96/436063296.db2.gz	PVZKIXMFCNECJY-UKTHLTGXSA-N	-1	0	348.428	0.528	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000002252234	435963244	/nfs/dbraw/zinc/96/32/44/435963244.db2.gz	OSXYIESEHVAWDD-SDNWHVSQSA-N	-1	0	348.378	0.482	50	10		ECCARM
CN(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1	ZINC000101763602	219162205	/nfs/dbraw/zinc/16/22/05/219162205.db2.gz	ZPGSKYTUMDLMEW-LLVKDONJSA-N	-1	0	329.360	0.284	50	10		ECCARM
O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1	ZINC000521366011	257948912	/nfs/dbraw/zinc/94/89/12/257948912.db2.gz	UKMOBSGMPYSKFC-GIZXNFQBSA-N	-1	0	346.383	0.848	50	10		ECCARM
CN1C(=O)C(=CNCC2(CC(=O)[O-])CCCCC2)C(=O)N(C)C1=O	ZINC000020624185	289790616	/nfs/dbraw/zinc/79/06/16/289790616.db2.gz	LISZSSIBNVJRJE-UHFFFAOYSA-N	-1	0	337.376	0.936	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000002409433	435966203	/nfs/dbraw/zinc/96/62/03/435966203.db2.gz	OSDHHJVZFHJAED-LCYFTJDESA-N	-1	0	334.351	0.439	50	10		ECCARM
O=C1[N-]C(=O)C(=Cc2cc([N+](=O)[O-])ccc2OC(F)F)C(=O)N1	ZINC000005258468	435985875	/nfs/dbraw/zinc/98/58/75/435985875.db2.gz	NJUNAIFMVFSQBR-UHFFFAOYSA-N	-1	0	327.199	0.946	50	10		ECCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCN(C(C)=O)CC2)cc1	ZINC000034926545	213000984	/nfs/dbraw/zinc/00/09/84/213000984.db2.gz	RYVYRABOXOAJMH-UHFFFAOYSA-N	-1	0	349.387	0.277	50	10		ECCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\N1CCOCC1	ZINC000004845746	296359534	/nfs/dbraw/zinc/35/95/34/296359534.db2.gz	QRXCETBJXRNDBT-KTKRTIGZSA-N	-1	0	335.360	0.790	50	10		ECCARM
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)[O-]	ZINC000005023301	210365715	/nfs/dbraw/zinc/36/57/15/210365715.db2.gz	UFJVAPIRHXWKRM-UHFFFAOYSA-N	-1	0	336.325	0.073	50	10		ECCARM
O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1	ZINC000521366013	257948741	/nfs/dbraw/zinc/94/87/41/257948741.db2.gz	UKMOBSGMPYSKFC-WUTVXBCWSA-N	-1	0	346.383	0.848	50	10		ECCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1nn[nH]n1	ZINC000005568647	304656894	/nfs/dbraw/zinc/65/68/94/304656894.db2.gz	VWSWQCSCDPRATB-YVMONPNESA-N	-1	0	333.695	0.432	50	10		ECCARM
Cn1cc(C(=O)[O-])c(C(=O)NCc2ccc(N3CCOCC3)cc2)n1	ZINC000020614938	436112236	/nfs/dbraw/zinc/11/22/36/436112236.db2.gz	RLBCZISEICLGEA-UHFFFAOYSA-N	-1	0	344.371	0.885	50	10		ECCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNCC[NH+](C)C)C2=O)c1	ZINC000002333539	435964319	/nfs/dbraw/zinc/96/43/19/435964319.db2.gz	YSRUIOABSVOGHN-JLHYYAGUSA-N	-1	0	332.360	0.313	50	10		ECCARM
COC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1OC	ZINC000000446581	435956705	/nfs/dbraw/zinc/95/67/05/435956705.db2.gz	ICWJFQFABIDGKZ-UXBLZVDNSA-N	-1	0	348.311	0.339	50	10		ECCARM
CN1C(=O)[N-]C(=O)/C(=C/c2ccc(I)o2)C1=O	ZINC000005061663	749167047	/nfs/dbraw/zinc/16/70/47/749167047.db2.gz	PIBVGTYAJWNQJI-XQRVVYSFSA-N	-1	0	346.080	0.976	50	10		ECCARM
CC(=O)Nc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)NC3=O)sc2c1	ZINC000044827523	436349435	/nfs/dbraw/zinc/34/94/35/436349435.db2.gz	SOAVAENAFYMPNL-UHFFFAOYSA-N	-1	0	345.340	0.917	50	10		ECCARM
O=C1[N-]C(=O)C(=Cc2ccc(I)o2)C(=O)N1	ZINC000004199665	280278720	/nfs/dbraw/zinc/27/87/20/280278720.db2.gz	JTBKHUMNNLVTEW-UHFFFAOYSA-N	-1	0	332.053	0.634	50	10		ECCARM
Cc1cccc(N2C(=O)/C(=C\NN3CCOCC3)C(=O)[N-]C2=S)c1	ZINC000019949342	292454799	/nfs/dbraw/zinc/45/47/99/292454799.db2.gz	XSBLBVFISOIEEE-RAXLEYEMSA-N	-1	0	346.412	0.463	50	10		ECCARM
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000004189288	435977756	/nfs/dbraw/zinc/97/77/56/435977756.db2.gz	VFYDRTGMQQEQRO-UHFFFAOYSA-N	-1	0	348.311	0.592	50	10		ECCARM
Cc1c(NC=C2C(=O)[N-]C(=O)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000005721396	435990466	/nfs/dbraw/zinc/99/04/66/435990466.db2.gz	WGCGWTNAOWGPDB-UHFFFAOYSA-N	-1	0	341.327	0.146	50	10		ECCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNN1CCOCC1	ZINC000017137968	284779230	/nfs/dbraw/zinc/77/92/30/284779230.db2.gz	RGTQAXKFYQIHGS-BENRWUELSA-N	-1	0	332.385	0.995	50	10		ECCARM
Nc1c(O)c(S(=O)(=O)[O-])c(O)c2c1C(=O)c1ccccc1C2=O	ZINC000003861632	435977952	/nfs/dbraw/zinc/97/79/52/435977952.db2.gz	AMXZGMCPHWGQGT-UHFFFAOYSA-N	-1	0	335.293	0.702	50	10	in-vitro	ECCARM
O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNN1CCOCC1	ZINC000006926325	436005960	/nfs/dbraw/zinc/00/59/60/436005960.db2.gz	VQWPWPGKNRMDCP-UKTHLTGXSA-N	-1	0	348.334	0.329	50	10		ECCARM
COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015227046	436079739	/nfs/dbraw/zinc/07/97/39/436079739.db2.gz	RHZIJIFPMZUQJN-XVNBXDOJSA-N	-1	0	337.313	0.566	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000002304147	435963748	/nfs/dbraw/zinc/96/37/48/435963748.db2.gz	QIAQCHHKVHDZCV-OWBHPGMISA-N	-1	0	330.388	0.343	50	10		ECCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNN2CCOCC2)C1=O	ZINC000009331256	436035811	/nfs/dbraw/zinc/03/58/11/436035811.db2.gz	XMEGWORBDLAYEH-ZHACJKMWSA-N	-1	0	346.343	0.839	50	10		ECCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@H]3CCCO3)C2=O)c1	ZINC000006674298	135675290	/nfs/dbraw/zinc/67/52/90/135675290.db2.gz	WQRSDCWQHLKSMR-JFBXQDQPSA-N	-1	0	345.355	0.931	50	10		ECCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)cc1	ZINC000017138472	436100192	/nfs/dbraw/zinc/10/01/92/436100192.db2.gz	JVCASLKKQPJJTR-RAXLEYEMSA-N	-1	0	346.343	0.203	50	10		ECCARM
CN1C(=O)C(=Cc2ccc(OCCC(=O)[O-])cc2)C(=O)N(C)C1=O	ZINC000044012887	436338695	/nfs/dbraw/zinc/33/86/95/436338695.db2.gz	UXCWWDKSDRTIEE-UHFFFAOYSA-N	-1	0	332.312	0.974	50	10		ECCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=CNN1CCOCC1	ZINC000009122078	211042467	/nfs/dbraw/zinc/04/24/67/211042467.db2.gz	ZKOFYBCTHYTOML-OWBHPGMISA-N	-1	0	344.371	0.869	50	10		ECCARM
COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC[C@@H](C(N)=O)C2)cc1	ZINC000034926564	295154955	/nfs/dbraw/zinc/15/49/55/295154955.db2.gz	NUUFWCVIEUJANM-GFCCVEGCSA-N	-1	0	349.387	0.310	50	10		ECCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNn1cnnc1	ZINC000006557437	436000547	/nfs/dbraw/zinc/00/05/47/436000547.db2.gz	JHKSNZMTJIUSIQ-YHYXMXQVSA-N	-1	0	332.707	0.642	50	10		ECCARM
O=C([O-])c1cc(NC(=O)C[C@@H]2SC(=S)NC2=O)ccc1O	ZINC000034926895	213000733	/nfs/dbraw/zinc/00/07/33/213000733.db2.gz	CTHNOJDGYHHRNI-QMMMGPOBSA-N	-1	0	326.355	0.936	50	10		ECCARM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)N1CCCC1	ZINC000010038276	211143933	/nfs/dbraw/zinc/14/39/33/211143933.db2.gz	PTISZRSKWCSWCW-UHFFFAOYSA-N	-1	0	343.339	0.437	50	10		ECCARM
CN1C(=O)C(=Cc2ccccc2OCC(=O)[O-])C(=O)N(C)C1=S	ZINC000005094688	210388394	/nfs/dbraw/zinc/38/83/94/210388394.db2.gz	PHTHLHQIMJSIOY-UHFFFAOYSA-N	-1	0	334.353	0.749	50	10		ECCARM
COc1ccc2c(C)cc(=NNC=C3C(=O)[N-]C(=O)NC3=O)[nH]c2c1	ZINC000006831288	295256026	/nfs/dbraw/zinc/25/60/26/295256026.db2.gz	KGVAWBVPDRMFPR-UHFFFAOYSA-N	-1	0	341.327	0.718	50	10		ECCARM
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O	ZINC000002279432	435964014	/nfs/dbraw/zinc/96/40/14/435964014.db2.gz	DAOYRFCPWSJYSS-WYMLVPIESA-N	-1	0	334.420	0.990	50	10		ECCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNNCCO	ZINC000006926383	296312337	/nfs/dbraw/zinc/31/23/37/296312337.db2.gz	HHBNJDROOZOIDP-JXMROGBWSA-N	-1	0	340.792	0.898	50	10		ECCARM
COc1ccc(N2C(=O)C(=CNCC[NH+](C)C)C(=O)[N-]C2=S)cc1	ZINC000002274201	435965373	/nfs/dbraw/zinc/96/53/73/435965373.db2.gz	JNNBXYMLJROHRQ-JLHYYAGUSA-N	-1	0	348.428	0.478	50	10		ECCARM
O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cccc2nonc21	ZINC000061719134	436638471	/nfs/dbraw/zinc/63/84/71/436638471.db2.gz	LKAITDRMRQSYBR-UHFFFAOYSA-N	-1	0	343.328	0.999	50	10		ECCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	ZINC000100193818	219094208	/nfs/dbraw/zinc/09/42/08/219094208.db2.gz	MFOBXSRPEZWSTA-JTQLQIEISA-N	-1	0	328.353	0.483	50	10		ECCARM
COc1ccccc1N1C(=O)C(=CNCC[NH+](C)C)C(=O)[N-]C1=S	ZINC000002301299	435964949	/nfs/dbraw/zinc/96/49/49/435964949.db2.gz	NIFBLHZEOIWKRD-ZHACJKMWSA-N	-1	0	348.428	0.478	50	10		ECCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNCC[NH+](C)C)C2=O)cc1	ZINC000002288125	435963801	/nfs/dbraw/zinc/96/38/01/435963801.db2.gz	WWYQIAOXFPZWJE-JLHYYAGUSA-N	-1	0	332.360	0.313	50	10		ECCARM
O=C([O-])CC1(CNC=C2C(=O)NC(=S)NC2=O)CCCCC1	ZINC000095346294	218282581	/nfs/dbraw/zinc/28/25/81/218282581.db2.gz	AQZPCLSWZXVKDR-UHFFFAOYSA-N	-1	0	325.390	0.416	50	10		ECCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)c1	ZINC000008970580	211024422	/nfs/dbraw/zinc/02/44/22/211024422.db2.gz	WQIDRESWCBWJAW-JLHYYAGUSA-N	-1	0	330.344	0.503	50	10		ECCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNNCCO)C2=O)cc1	ZINC000006263192	135674132	/nfs/dbraw/zinc/67/41/32/135674132.db2.gz	BIHQMTGQHDTFLD-UKTHLTGXSA-N	-1	0	332.360	0.363	50	10		ECCARM
Cc1ccccc1N1C(=O)/C(=C/NN2CCOCC2)C(=O)[N-]C1=S	ZINC000009331427	302103501	/nfs/dbraw/zinc/10/35/01/302103501.db2.gz	SUOPUPVTLYUBDW-ZRDIBKRKSA-N	-1	0	346.412	0.463	50	10		ECCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNC[C@@H]3CCCO3)C2=O)c1	ZINC000005729858	435992398	/nfs/dbraw/zinc/99/23/98/435992398.db2.gz	WQRSDCWQHLKSMR-ODUNQGDFSA-N	-1	0	345.355	0.931	50	10		ECCARM
O=C(Nc1cccc([N+](=O)[O-])c1)C(O)=C1SC(=S)[N-]C1=O	ZINC000106402623	436595491	/nfs/dbraw/zinc/59/54/91/436595491.db2.gz	FDZGOIPOSBETRC-QMMMGPOBSA-N	-1	0	325.327	0.619	50	10		ECCARM
O=C([O-])c1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1Cl	ZINC000018996566	304226161	/nfs/dbraw/zinc/22/61/61/304226161.db2.gz	URYKOWLVOKJACP-UHFFFAOYSA-N	-1	0	325.733	0.865	50	10		ECCARM
Cc1ccc(N2C(=O)C(=CNN3CCOCC3)C(=O)[N-]C2=S)cc1	ZINC000008664779	280859269	/nfs/dbraw/zinc/85/92/69/280859269.db2.gz	ZDSOUSBYNORBJQ-RAXLEYEMSA-N	-1	0	346.412	0.875	50	10		ECCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)NC1=O	ZINC000013130537	436058607	/nfs/dbraw/zinc/05/86/07/436058607.db2.gz	MFOBXSRPEZWSTA-SNVBAGLBSA-N	-1	0	328.353	0.483	50	10		ECCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1O	ZINC000006580535	436000661	/nfs/dbraw/zinc/00/06/61/436000661.db2.gz	HRUPENJVRUXTMT-UHFFFAOYSA-N	-1	0	341.117	0.913	50	10		ECCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=CNCC[NH+](C)C)C2=O)cc1	ZINC000002307166	435963365	/nfs/dbraw/zinc/96/33/65/435963365.db2.gz	ACUWPYCATFOIQR-GXDHUFHOSA-N	-1	0	346.387	0.309	50	10		ECCARM
O=C([O-])CNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000004181455	210141210	/nfs/dbraw/zinc/14/12/10/210141210.db2.gz	DURRDEYKNKAQFB-UHFFFAOYSA-N	-1	0	345.332	0.825	50	10		ECCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNCCN1CCOCC1	ZINC000020024237	436107245	/nfs/dbraw/zinc/10/72/45/436107245.db2.gz	GKFKMUNACXHYAG-OWBHPGMISA-N	-1	0	344.371	0.075	50	10		ECCARM
CN1C(=O)[N-]C(=O)/C(=C/NN2CCCC[C@@H]2c2cccnc2)C1=O	ZINC000012659101	436053469	/nfs/dbraw/zinc/05/34/69/436053469.db2.gz	ZIFUSARHMMUVJC-KXXVWKPMSA-N	-1	0	329.360	0.705	50	10		ECCARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000100524834	219101081	/nfs/dbraw/zinc/10/10/81/219101081.db2.gz	GFLQGDFQSKXCKU-ASLCJXLESA-N	-1	0	340.390	0.248	50	10		ECCARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNCC[NH+](C)C)C1=O	ZINC000002301158	435965162	/nfs/dbraw/zinc/96/51/62/435965162.db2.gz	PBXNCUWJANCLDS-KHPPLWFESA-N	-1	0	332.360	0.313	50	10		ECCARM
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000059392128	436631988	/nfs/dbraw/zinc/63/19/88/436631988.db2.gz	MWPWPBWILKJPEJ-UHFFFAOYSA-N	-1	0	337.313	0.613	50	10		ECCARM
CN(C)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=O)n(C)c3=O)=NN2)cc1	ZINC000101761615	219161684	/nfs/dbraw/zinc/16/16/84/219161684.db2.gz	PQLOSHFYHMXABD-LBPRGKRZSA-N	-1	0	343.387	0.294	50	10		ECCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCCCn1ccnc1	ZINC000006554043	435999787	/nfs/dbraw/zinc/99/97/87/435999787.db2.gz	HOAKUUQDCAJTCW-LCYFTJDESA-N	-1	0	343.343	0.618	50	10		ECCARM
CC1=NN(c2ccccc2)C(=O)/C1=C/NNc1nc(=O)c(C)n[n-]1	ZINC000018085829	436103631	/nfs/dbraw/zinc/10/36/31/436103631.db2.gz	QXFKEPHBURJYFT-XYOKQWHBSA-N	-1	0	325.332	0.696	50	10		ECCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=CNN3CCOCC3)C2=O)c1	ZINC000017016754	436098282	/nfs/dbraw/zinc/09/82/82/436098282.db2.gz	PIOLBGRKGVJAKY-JLHYYAGUSA-N	-1	0	346.343	0.203	50	10		ECCARM
COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000018146687	436103283	/nfs/dbraw/zinc/10/32/83/436103283.db2.gz	DYVBDHYCYNBLIG-UHFFFAOYSA-N	-1	0	349.299	0.152	50	10		ECCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1nn[nH]n1	ZINC000100544975	436547161	/nfs/dbraw/zinc/54/71/61/436547161.db2.gz	JAEIPILOYVDGMX-YVMONPNESA-N	-1	0	333.695	0.432	50	10		ECCARM
CN1C(=O)[N-]C(=O)/C(=C\NN2CCCC[C@@H]2c2cccnc2)C1=O	ZINC000097514689	545733002	/nfs/dbraw/zinc/73/30/02/545733002.db2.gz	ZIFUSARHMMUVJC-RSKUSDAESA-N	-1	0	329.360	0.705	50	10		ECCARM
CNS(=O)(=O)c1cc2c(c(O)c1[O-])C(=O)c1ccccc1C2=O	ZINC000072194198	290788255	/nfs/dbraw/zinc/78/82/55/290788255.db2.gz	YLHYOGLQXCNPJN-UHFFFAOYSA-N	-1	0	333.321	0.781	50	10		ECCARM
CN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)NC1=S	ZINC000000200153	435951468	/nfs/dbraw/zinc/95/14/68/435951468.db2.gz	WWQWYCMMFPGIBJ-IZZDOVSWSA-N	-1	0	343.364	0.982	50	10		ECCARM
CN1C(=O)[N-]C(=O)/C(=C/NN2CCCC[C@H]2c2cccnc2)C1=O	ZINC000012659104	436053605	/nfs/dbraw/zinc/05/36/05/436053605.db2.gz	ZIFUSARHMMUVJC-UKVQZPPCSA-N	-1	0	329.360	0.705	50	10		ECCARM
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c(=O)[nH]c(=O)n(C)c1[O-]	ZINC000075279805	436158367	/nfs/dbraw/zinc/15/83/67/436158367.db2.gz	ADDBNBREKJVDGF-WQLSENKSSA-N	-1	0	340.339	0.894	50	10		ECCARM
Cc1cc(=O)n2[n-]c(N)c(N=Nc3ccc(S(N)(=O)=O)cc3)c2n1	ZINC000334159068	437297949	/nfs/dbraw/zinc/29/79/49/437297949.db2.gz	XLKHQWRUASSMFH-UHFFFAOYSA-N	-1	0	347.360	0.976	50	10		ECCARM