smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc3ncnc-3c(O)[n-]2)c1	ZINC000028249547	421293062	/nfs/dbraw/zinc/29/30/62/421293062.db2.gz	QKVMJJCKBVXVQV-UHFFFAOYSA-N	-3	1	335.301	0.558	50	0		ECAAML
CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1	ZINC000065530152	289336056	/nfs/dbraw/zinc/33/60/56/289336056.db2.gz	SLCQOZFBRIXIGC-PWSUYJOCSA-N	-2	1	342.373	0.163	50	0		ECAAML
CO[C@@H](C[N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000097165143	436540122	/nfs/dbraw/zinc/54/01/22/436540122.db2.gz	ZQLMBXBVRFLNAT-LURJTMIESA-N	-2	1	344.208	0.889	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101013793	219113735	/nfs/dbraw/zinc/11/37/35/219113735.db2.gz	JOESODHYZSBLQP-MWLCHTKSSA-N	-2	1	334.263	0.600	50	0		ECAAML
COC(=O)CSC(=S)[N-][N-]S(=O)(=O)c1ccc(C)cc1	ZINC000002346801	435965547	/nfs/dbraw/zinc/96/55/47/435965547.db2.gz	LITRCGFULFXEMU-UHFFFAOYSA-N	-2	1	334.444	0.969	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000005067998	435982209	/nfs/dbraw/zinc/98/22/09/435982209.db2.gz	JOXPHYPERSRGFE-CMPLNLGQSA-N	-2	1	346.299	0.469	50	0		ECAAML
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(NC(=O)C[C@@H](C)O)c(=O)c12	ZINC000017071663	436098724	/nfs/dbraw/zinc/09/87/24/436098724.db2.gz	ZYALDBJZFGBCIC-SCSAIBSYSA-N	-2	1	343.386	0.968	50	0		ECAAML
CC(=O)N[C@@H](CSC(=S)[N-]CCCC[S@@](C)=O)C(=O)[O-]	ZINC000022066622	202079076	/nfs/dbraw/zinc/07/90/76/202079076.db2.gz	IIHBKTCHILXGOT-LXGOIASLSA-N	-2	1	340.492	0.342	50	0	in-man	ECAAML
Cc1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)P(=O)([O-])[O-])cc1	ZINC000072238670	202356369	/nfs/dbraw/zinc/35/63/69/202356369.db2.gz	IJWCKYGOVOFMFW-ZDUSSCGKSA-N	-2	1	342.288	0.087	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000101023392	219114556	/nfs/dbraw/zinc/11/45/56/219114556.db2.gz	NDLZXGLAJPAJNV-SCZZXKLOSA-N	-2	1	336.691	0.724	50	0		ECAAML
O=C([O-])CNc1ncc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cn1	ZINC000216230053	304069653	/nfs/dbraw/zinc/06/96/53/304069653.db2.gz	XNVGLSPRBVXJFX-AWEZNQCLSA-N	-2	1	342.355	0.985	50	0		ECAAML
O=C([O-])CNc1ncc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1	ZINC000216230011	304069712	/nfs/dbraw/zinc/06/97/12/304069712.db2.gz	XNVGLSPRBVXJFX-CQSZACIVSA-N	-2	1	342.355	0.985	50	0		ECAAML
Cc1ccccc1-n1c(Cc2nn[n-]n2)nnc1SCC(=O)[O-]	ZINC000071279032	436008230	/nfs/dbraw/zinc/00/82/30/436008230.db2.gz	JVWYKWZCRRZWQK-UHFFFAOYSA-N	-2	1	331.361	0.856	50	0		ECAAML
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ncnc-3c(O)[n-]2)cc1	ZINC000028249534	436189612	/nfs/dbraw/zinc/18/96/12/436189612.db2.gz	PQFXVFQIWHASQT-UHFFFAOYSA-N	-2	1	348.344	0.818	50	0		ECAAML
CCOc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000005053991	210377683	/nfs/dbraw/zinc/37/76/83/210377683.db2.gz	AJVABMIXDXYLLT-CMPLNLGQSA-N	-2	1	346.299	0.469	50	0		ECAAML
COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1[N-]S(C)(=O)=O	ZINC000065530762	436666124	/nfs/dbraw/zinc/66/61/24/436666124.db2.gz	CKRZNQBQSCOVBJ-MRVPVSSYSA-N	-2	1	328.346	0.504	50	0		ECAAML
O=CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036360361	436258625	/nfs/dbraw/zinc/25/86/25/436258625.db2.gz	LRYDHUCIGWCUKB-MRXNPFEDSA-N	-2	1	345.355	0.626	50	0		ECAAML
CC(C)c1ncc(C(=O)N2CCCn3nc(C(=O)[O-])cc3C2)c(=O)[n-]1	ZINC000065398615	436657037	/nfs/dbraw/zinc/65/70/37/436657037.db2.gz	PSBRVAWOZBIUTD-UHFFFAOYSA-N	-2	1	345.359	0.834	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101013799	219113589	/nfs/dbraw/zinc/11/35/89/219113589.db2.gz	JOESODHYZSBLQP-ONGXEEELSA-N	-2	1	334.263	0.600	50	0		ECAAML
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cccc(C(=O)[O-])n1)CC2	ZINC000095353291	218286890	/nfs/dbraw/zinc/28/68/90/218286890.db2.gz	CGOHVNCVMGEEPF-LBPRGKRZSA-N	-2	1	347.371	0.677	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000005091366	210387688	/nfs/dbraw/zinc/38/76/88/210387688.db2.gz	NDLZXGLAJPAJNV-WPRPVWTQSA-N	-2	1	336.691	0.724	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000005069276	210382829	/nfs/dbraw/zinc/38/28/29/210382829.db2.gz	SPBSBHLZSIRXJS-KOLCDFICSA-N	-2	1	332.272	0.079	50	0		ECAAML
O=C(c1cc(=O)[nH][n-]1)N1CCc2c(=O)[n-]c(-c3ccccn3)nc2C1	ZINC000071746503	436011197	/nfs/dbraw/zinc/01/11/97/436011197.db2.gz	ICGDDUAZNASYMW-UHFFFAOYSA-N	-2	1	338.327	0.459	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000101016361	219113343	/nfs/dbraw/zinc/11/33/43/219113343.db2.gz	JOXPHYPERSRGFE-JQWIXIFHSA-N	-2	1	346.299	0.469	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000101020208	219114735	/nfs/dbraw/zinc/11/47/35/219114735.db2.gz	UXPNNLGBIQRYIF-MWLCHTKSSA-N	-2	1	332.272	0.079	50	0		ECAAML
CC(C)c1ncc(C(=O)N2CCn3nc(C(=O)[O-])cc3C2)c(=O)[n-]1	ZINC000065384866	436656722	/nfs/dbraw/zinc/65/67/22/436656722.db2.gz	VIUXRJSKFGRZSV-UHFFFAOYSA-N	-2	1	331.332	0.444	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000101020030	219114421	/nfs/dbraw/zinc/11/44/21/219114421.db2.gz	SPBSBHLZSIRXJS-ONGXEEELSA-N	-2	1	332.272	0.079	50	0		ECAAML
Nc1nc(SCC(=O)[O-])[n-]c(=O)c1NC(=O)c1ccccc1F	ZINC000005081471	210386670	/nfs/dbraw/zinc/38/66/70/210386670.db2.gz	HYQJYTFEOKXBAZ-UHFFFAOYSA-N	-2	1	338.320	0.920	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000101020201	219114370	/nfs/dbraw/zinc/11/43/70/219114370.db2.gz	UXPNNLGBIQRYIF-ONGXEEELSA-N	-2	1	332.272	0.079	50	0		ECAAML
Cc1ccc(C(=O)N[C@@H](C(=O)N2CCOCC2)P(=O)([O-])[O-])cc1	ZINC000072238669	216078031	/nfs/dbraw/zinc/07/80/31/216078031.db2.gz	IJWCKYGOVOFMFW-CYBMUJFWSA-N	-2	1	342.288	0.087	50	0		ECAAML
O=c1[n-]c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1	ZINC000072313073	436041588	/nfs/dbraw/zinc/04/15/88/436041588.db2.gz	BAYCCOYSVUIYRN-UHFFFAOYSA-N	-2	1	329.190	0.945	50	0		ECAAML
Cc1cc(C[C@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[nH]n1	ZINC000178758571	545878084	/nfs/dbraw/zinc/87/80/84/545878084.db2.gz	XMXMOLDXDSWZTR-QMMMGPOBSA-N	-2	1	342.359	0.725	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000101016355	219113782	/nfs/dbraw/zinc/11/37/82/219113782.db2.gz	JOXPHYPERSRGFE-ZYHUDNBSSA-N	-2	1	346.299	0.469	50	0		ECAAML
COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000091769397	218062216	/nfs/dbraw/zinc/06/22/16/218062216.db2.gz	ZMNDSPKQSGONDI-QGZVFWFLSA-N	-2	1	349.387	0.991	50	0		ECAAML
CO[C@H](C[N-]S(=O)(=O)c1sccc1Br)C(=O)[O-]	ZINC000097165144	436539277	/nfs/dbraw/zinc/53/92/77/436539277.db2.gz	ZQLMBXBVRFLNAT-ZCFIWIBFSA-N	-2	1	344.208	0.889	50	0		ECAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)o1	ZINC000342383898	321088626	/nfs/dbraw/zinc/08/86/26/321088626.db2.gz	UZMRCKBVMMKIJA-LBPRGKRZSA-N	-2	1	338.341	0.743	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000101013795	219113533	/nfs/dbraw/zinc/11/35/33/219113533.db2.gz	JOESODHYZSBLQP-KOLCDFICSA-N	-2	1	334.263	0.600	50	0		ECAAML
O=C([O-])[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21	ZINC000019961288	295985962	/nfs/dbraw/zinc/98/59/62/295985962.db2.gz	CTKVTNGNYMGJPZ-LLVKDONJSA-N	-2	1	340.339	0.843	50	0		ECAAML
Cc1cc(C[C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[nH]n1	ZINC000178758585	545878036	/nfs/dbraw/zinc/87/80/36/545878036.db2.gz	XMXMOLDXDSWZTR-MRVPVSSYSA-N	-2	1	342.359	0.725	50	0		ECAAML
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC000952994420	612140717	/nfs/dbraw/zinc/14/07/17/612140717.db2.gz	PEMLFHOILDJZIM-MRVPVSSYSA-N	-2	1	348.329	0.438	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000101020035	219114493	/nfs/dbraw/zinc/11/44/93/219114493.db2.gz	SPBSBHLZSIRXJS-GXSJLCMTSA-N	-2	1	332.272	0.079	50	0		ECAAML
NS(=O)(=O)c1ccc(Nc2nc([O-])c(CC(=O)[O-])s2)cc1	ZINC000001797006	435962570	/nfs/dbraw/zinc/96/25/70/435962570.db2.gz	VRPIGRZPIXXSHH-MRVPVSSYSA-N	-2	1	329.359	0.219	50	0		ECAAML
O=C([O-])[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[n-]c(=O)c21	ZINC000019961293	304174742	/nfs/dbraw/zinc/17/47/42/304174742.db2.gz	CTKVTNGNYMGJPZ-NSHDSACASA-N	-2	1	340.339	0.843	50	0		ECAAML
CCOc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000101001872	219113572	/nfs/dbraw/zinc/11/35/72/219113572.db2.gz	AJVABMIXDXYLLT-JQWIXIFHSA-N	-2	1	346.299	0.469	50	0		ECAAML
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cccc(C(=O)[O-])n1)CC2	ZINC000095353290	218287356	/nfs/dbraw/zinc/28/73/56/218287356.db2.gz	CGOHVNCVMGEEPF-GFCCVEGCSA-N	-2	1	347.371	0.677	50	0		ECAAML
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1c[nH]nc1C(=O)[O-])CC2	ZINC000095356803	218290037	/nfs/dbraw/zinc/29/00/37/218290037.db2.gz	BLSSWWUXGMCCRE-JTQLQIEISA-N	-2	1	336.348	0.005	50	0		ECAAML
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC000952994421	612140583	/nfs/dbraw/zinc/14/05/83/612140583.db2.gz	PEMLFHOILDJZIM-QMMMGPOBSA-N	-2	1	348.329	0.438	50	0		ECAAML
CO[C@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])C1CCOCC1	ZINC000647129735	440008210	/nfs/dbraw/zinc/00/82/10/440008210.db2.gz	YXNAZBNBBFTENV-LLVKDONJSA-N	-2	1	347.393	0.302	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000101023388	219114172	/nfs/dbraw/zinc/11/41/72/219114172.db2.gz	NDLZXGLAJPAJNV-PSASIEDQSA-N	-2	1	336.691	0.724	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000005069281	435983502	/nfs/dbraw/zinc/98/35/02/435983502.db2.gz	SPBSBHLZSIRXJS-MWLCHTKSSA-N	-2	1	332.272	0.079	50	0		ECAAML
CO[C@@H](CS(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-])C1CCOCC1	ZINC000647129736	440007510	/nfs/dbraw/zinc/00/75/10/440007510.db2.gz	YXNAZBNBBFTENV-NSHDSACASA-N	-2	1	347.393	0.302	50	0		ECAAML
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002384989	435963997	/nfs/dbraw/zinc/96/39/97/435963997.db2.gz	PWIQCLSQVQBOQV-AAEUAGOBSA-N	-2	1	333.344	0.472	50	0	endogenous,in-man	ECAAML
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1c[nH]nc1C(=O)[O-])CC2	ZINC000095356802	436492258	/nfs/dbraw/zinc/49/22/58/436492258.db2.gz	BLSSWWUXGMCCRE-SNVBAGLBSA-N	-2	1	336.348	0.005	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(Cl)c3)c(=O)c1-2	ZINC000101023394	204000811	/nfs/dbraw/zinc/00/08/11/204000811.db2.gz	NDLZXGLAJPAJNV-WCBMZHEXSA-N	-2	1	336.691	0.724	50	0		ECAAML
COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1[N-]S(C)(=O)=O	ZINC000065530765	436666987	/nfs/dbraw/zinc/66/69/87/436666987.db2.gz	CKRZNQBQSCOVBJ-QMMMGPOBSA-N	-2	1	328.346	0.504	50	0		ECAAML
C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)o1	ZINC000342383897	321088748	/nfs/dbraw/zinc/08/87/48/321088748.db2.gz	UZMRCKBVMMKIJA-GFCCVEGCSA-N	-2	1	338.341	0.743	50	0		ECAAML
CCOc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000101001881	219113887	/nfs/dbraw/zinc/11/38/87/219113887.db2.gz	AJVABMIXDXYLLT-ZYHUDNBSSA-N	-2	1	346.299	0.469	50	0		ECAAML
CC(C)(CC(=O)[O-])CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-]	ZINC000012805708	207248312	/nfs/dbraw/zinc/24/83/12/207248312.db2.gz	ZBFUXCUVCDJBRO-UHFFFAOYSA-N	-2	1	330.362	0.869	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000005052466	435984668	/nfs/dbraw/zinc/98/46/68/435984668.db2.gz	LQLBWHCIPMZQQJ-JQWIXIFHSA-N	-2	1	346.299	0.469	50	0		ECAAML
Cc1[n-][nH]c(=O)c1CC(=O)N1CCn2nc(CCC(=O)[O-])cc2C1	ZINC000072407025	436044378	/nfs/dbraw/zinc/04/43/78/436044378.db2.gz	DOQZBXGEVMSNCS-UHFFFAOYSA-N	-2	1	333.348	0.222	50	0		ECAAML
Cn1cc([C@@H](C(=O)[O-])N2CCN(C=O)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036360742	436257354	/nfs/dbraw/zinc/25/73/54/436257354.db2.gz	AZOWMJMXPDPSEH-HNNXBMFYSA-N	-2	1	345.355	0.776	50	0		ECAAML
CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1cc(C(=O)[O-])ccn1)CC2	ZINC000095378425	436491702	/nfs/dbraw/zinc/49/17/02/436491702.db2.gz	GWCJZCDHHVQGFU-LLVKDONJSA-N	-2	1	333.344	0.682	50	0		ECAAML
CC(=O)N[C@@H](CSC(=S)[N-]CCCC[S@](C)=O)C(=O)[O-]	ZINC000022066628	212275323	/nfs/dbraw/zinc/27/53/23/212275323.db2.gz	IIHBKTCHILXGOT-GWNMQOMSSA-N	-2	1	340.492	0.342	50	0	in-man	ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000100998615	219113315	/nfs/dbraw/zinc/11/33/15/219113315.db2.gz	LQLBWHCIPMZQQJ-CMPLNLGQSA-N	-2	1	346.299	0.469	50	0		ECAAML
CCOc1ccc(N=c2sc3c(nc(=O)[n-]c3[O-])n2CCO)cc1	ZINC000103781814	436555843	/nfs/dbraw/zinc/55/58/43/436555843.db2.gz	MLPRYNJUTWVYHN-NXVVXOECSA-N	-2	1	348.384	0.703	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(F)cc3)c(=O)c1-2	ZINC000005067422	210382312	/nfs/dbraw/zinc/38/23/12/210382312.db2.gz	JOESODHYZSBLQP-GXSJLCMTSA-N	-2	1	334.263	0.600	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000100998608	219113725	/nfs/dbraw/zinc/11/37/25/219113725.db2.gz	LQLBWHCIPMZQQJ-ZYHUDNBSSA-N	-2	1	346.299	0.469	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000005069353	210383297	/nfs/dbraw/zinc/38/32/97/210383297.db2.gz	UXPNNLGBIQRYIF-GXSJLCMTSA-N	-2	1	332.272	0.079	50	0		ECAAML
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(NC(=O)C[C@H](C)O)c(=O)c12	ZINC000017071664	436098488	/nfs/dbraw/zinc/09/84/88/436098488.db2.gz	ZYALDBJZFGBCIC-BYPYZUCNSA-N	-2	1	343.386	0.968	50	0		ECAAML
NS(=O)(=O)c1ccc(Nc2nc([O-])c(CC(=O)[O-])s2)cc1	ZINC000001797008	435962124	/nfs/dbraw/zinc/96/21/24/435962124.db2.gz	VRPIGRZPIXXSHH-QMMMGPOBSA-N	-2	1	329.359	0.219	50	0		ECAAML
O=CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036360360	304723926	/nfs/dbraw/zinc/72/39/26/304723926.db2.gz	LRYDHUCIGWCUKB-INIZCTEOSA-N	-2	1	345.355	0.626	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000101020204	219114634	/nfs/dbraw/zinc/11/46/34/219114634.db2.gz	UXPNNLGBIQRYIF-KOLCDFICSA-N	-2	1	332.272	0.079	50	0		ECAAML
COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)C1	ZINC000091769399	218062395	/nfs/dbraw/zinc/06/23/95/218062395.db2.gz	ZMNDSPKQSGONDI-KRWDZBQOSA-N	-2	1	349.387	0.991	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000005068439	210381460	/nfs/dbraw/zinc/38/14/60/210381460.db2.gz	UQBOKGVIQHBXAB-WPRPVWTQSA-N	-2	1	336.691	0.724	50	0		ECAAML
CCOc1ccc(-n2c([O-])c3n(N=O)[n-]c(C(=O)OC)c-3c2=O)cc1	ZINC000101001875	219113609	/nfs/dbraw/zinc/11/36/09/219113609.db2.gz	AJVABMIXDXYLLT-PWSUYJOCSA-N	-2	1	346.299	0.469	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000101017678	219114830	/nfs/dbraw/zinc/11/48/30/219114830.db2.gz	UQBOKGVIQHBXAB-WCBMZHEXSA-N	-2	1	336.691	0.724	50	0		ECAAML
Cn1cc([C@H](C(=O)[O-])N2CCN(C=O)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036366066	213091063	/nfs/dbraw/zinc/09/10/63/213091063.db2.gz	SEQWNVHLJDYZOA-OAHLLOKOSA-N	-2	1	345.355	0.776	50	0		ECAAML
O=C([O-])Cc1cc(C2CCN(c3ncncc3CC(=O)[O-])CC2)[nH]n1	ZINC000095363598	218297119	/nfs/dbraw/zinc/29/71/19/218297119.db2.gz	BDRHPZNNZZSWOQ-UHFFFAOYSA-N	-2	1	345.359	0.838	50	0		ECAAML
CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1cc(C(=O)[O-])ccn1)CC2	ZINC000095378426	218311382	/nfs/dbraw/zinc/31/13/82/218311382.db2.gz	GWCJZCDHHVQGFU-NSHDSACASA-N	-2	1	333.344	0.682	50	0		ECAAML
Cn1cc([C@H](C(=O)[O-])N2CCN(C=O)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036360743	436258603	/nfs/dbraw/zinc/25/86/03/436258603.db2.gz	AZOWMJMXPDPSEH-OAHLLOKOSA-N	-2	1	345.355	0.776	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3cccc(OC)c3)c(=O)c1-2	ZINC000101016357	219113493	/nfs/dbraw/zinc/11/34/93/219113493.db2.gz	JOXPHYPERSRGFE-PWSUYJOCSA-N	-2	1	346.299	0.469	50	0		ECAAML
CCOC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(OC)cc3)c(=O)c1-2	ZINC000100998611	219113567	/nfs/dbraw/zinc/11/35/67/219113567.db2.gz	LQLBWHCIPMZQQJ-PWSUYJOCSA-N	-2	1	346.299	0.469	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000101017671	219114332	/nfs/dbraw/zinc/11/43/32/219114332.db2.gz	UQBOKGVIQHBXAB-PSASIEDQSA-N	-2	1	336.691	0.724	50	0		ECAAML
COC(=O)c1[n-]n(N=O)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000101017675	219114506	/nfs/dbraw/zinc/11/45/06/219114506.db2.gz	UQBOKGVIQHBXAB-SCZZXKLOSA-N	-2	1	336.691	0.724	50	0		ECAAML
Cn1cc([C@@H](C(=O)[O-])N2CCN(C=O)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036366064	213090702	/nfs/dbraw/zinc/09/07/02/213090702.db2.gz	SEQWNVHLJDYZOA-HNNXBMFYSA-N	-2	1	345.355	0.776	50	0		ECAAML