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-])[C@@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000001911357	435962929	/nfs/dbraw/zinc/96/29/29/435962929.db2.gz	HZLAWYIBLZNRFZ-RYUDHWBXSA-N	-2	0	340.376	0.698	10	0		ECAERL
O=C([O-])CCCNC(=O)c1cccc(C(=O)NCCCC(=O)[O-])n1	ZINC000002053458	435960719	/nfs/dbraw/zinc/96/07/19/435960719.db2.gz	SHQLWOXSELNHNR-UHFFFAOYSA-N	-2	0	337.332	0.271	10	0		ECAERL
COC(=O)C(=O)[C@@H]1C(=O)C([O-])=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155680	436943211	/nfs/dbraw/zinc/94/32/11/436943211.db2.gz	LFMPQNTXQKMBIJ-WPRPVWTQSA-N	-2	0	326.301	0.107	10	0		ECAERL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000584608773	439604700	/nfs/dbraw/zinc/60/47/00/439604700.db2.gz	GAELSXVJSWSIQS-WHFBIAKZSA-N	-3	0	338.204	0.821	10	0		ECAERL
COCC[C@@H](NC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000262317054	244919396	/nfs/dbraw/zinc/91/93/96/244919396.db2.gz	QYHZBXGBGQUHEY-GFCCVEGCSA-N	-2	0	344.389	0.586	10	0		ECAERL
O=C([O-])CCS[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O	ZINC000096304970	203889225	/nfs/dbraw/zinc/88/92/25/203889225.db2.gz	MXBALKJPZHLREU-SNVBAGLBSA-N	-2	0	339.325	0.930	10	0		ECAERL
O=C([O-])CC[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001575530	206294090	/nfs/dbraw/zinc/29/40/90/206294090.db2.gz	JBGBOEMFZSZCMX-LLVKDONJSA-N	-2	0	338.316	0.347	10	0		ECAERL
O=C([O-])c1cnc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cn1	ZINC000263097222	304275679	/nfs/dbraw/zinc/27/56/79/304275679.db2.gz	YZYZPPXSJQBMIX-PHDIDXHHSA-N	-2	0	333.222	0.510	10	0		ECAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1	ZINC000261874182	244711394	/nfs/dbraw/zinc/71/13/94/244711394.db2.gz	RAWJHIMVYMIQPI-SNVBAGLBSA-N	-2	0	326.374	0.913	10	0		ECAERL
O=C([O-])CCS[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000100856360	219109275	/nfs/dbraw/zinc/10/92/75/219109275.db2.gz	CDIMJWXSLHMDSA-JTQLQIEISA-N	-2	0	339.325	0.930	10	0		ECAERL
C[C@@H](S[C@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O)C(=O)[O-]	ZINC000100856370	219109602	/nfs/dbraw/zinc/10/96/02/219109602.db2.gz	SPURNUWVYHGEIZ-LDWIPMOCSA-N	-2	0	339.325	0.929	10	0		ECAERL
Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])[nH]1	ZINC000100244672	219095078	/nfs/dbraw/zinc/09/50/78/219095078.db2.gz	ZGXJVLAIEZQGHY-UHFFFAOYSA-N	-2	0	334.331	0.293	10	0		ECAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1	ZINC000263007502	436947832	/nfs/dbraw/zinc/94/78/32/436947832.db2.gz	QQJHECDFHXMYFR-LBPRGKRZSA-N	-2	0	342.373	0.292	10	0		ECAERL
O=C([O-])CS[C@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O	ZINC000100856678	219109336	/nfs/dbraw/zinc/10/93/36/219109336.db2.gz	KIFMHXSPYYMXDP-LURJTMIESA-N	-2	0	330.343	0.220	10	0		ECAERL
O=C([O-])CN(CC(=O)[O-])CC(=O)Nc1ccccc1Br	ZINC000110972049	220085281	/nfs/dbraw/zinc/08/52/81/220085281.db2.gz	MRQRLKUUHJNDGT-UHFFFAOYSA-N	-2	0	345.149	0.859	10	0		ECAERL
O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12	ZINC000000009221	581102028	/nfs/dbraw/zinc/10/20/28/581102028.db2.gz	KGABLDAFOWCUMF-UHFFFAOYSA-N	-2	0	325.280	0.919	10	0		ECAERL
CCC[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262331693	165331790	/nfs/dbraw/zinc/33/17/90/165331790.db2.gz	YDPBPMVKEURHHQ-NSHDSACASA-N	-2	0	346.380	0.864	10	0		ECAERL
CO[C@H](CNC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000263152346	245345318	/nfs/dbraw/zinc/34/53/18/245345318.db2.gz	XCQJZRYPKKASQS-LLVKDONJSA-N	-2	0	330.362	0.196	10	0		ECAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC2(C(=O)[O-])CC2)c1	ZINC000263483239	436968809	/nfs/dbraw/zinc/96/88/09/436968809.db2.gz	VAFAPWFZVABXMY-UHFFFAOYSA-N	-2	0	326.374	0.961	10	0		ECAERL
COC(=O)C(=O)[C@H]1C(=O)C([O-])=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155596	436942655	/nfs/dbraw/zinc/94/26/55/436942655.db2.gz	LFMPQNTXQKMBIJ-WCBMZHEXSA-N	-2	0	326.301	0.107	10	0		ECAERL
O=C([O-])CCS[C@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O	ZINC000100856674	219109752	/nfs/dbraw/zinc/10/97/52/219109752.db2.gz	BBFJPQNSPLYYQS-ZETCQYMHSA-N	-2	0	344.370	0.610	10	0		ECAERL
COC[C@@H](CCOC[P@@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356354	213207521	/nfs/dbraw/zinc/20/75/21/213207521.db2.gz	ZJJCHJPFWDFCRS-MRVPVSSYSA-N	-2	0	331.269	0.138	10	0		ECAERL
O=C([O-])c1ccc([N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)s1	ZINC000035426954	213027844	/nfs/dbraw/zinc/02/78/44/213027844.db2.gz	YMRQOFNOCBDDAG-LURJTMIESA-N	-2	0	325.389	0.375	10	0		ECAERL
COC[C@H](CCOC[P@@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356356	213208169	/nfs/dbraw/zinc/20/81/69/213208169.db2.gz	ZJJCHJPFWDFCRS-QMMMGPOBSA-N	-2	0	331.269	0.138	10	0		ECAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@H](N3CCOCC3)C2=O)c1	ZINC000019766947	212063292	/nfs/dbraw/zinc/06/32/92/212063292.db2.gz	XKGDWSZCCFMLOH-LBPRGKRZSA-N	-2	0	348.311	0.047	10	0		ECAERL
COc1cc(/C=C/C(=O)O[C@@H](CC(=O)[O-])C(=O)[O-])cc(OC)c1O	ZINC000013522787	560218414	/nfs/dbraw/zinc/21/84/14/560218414.db2.gz	DUDGAPSRYCQPBG-UFFNRZRYSA-N	-2	0	340.284	0.894	10	0	in-vitro	ECAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](N3CCCC3)C2=O)c1	ZINC000100857825	219109253	/nfs/dbraw/zinc/10/92/53/219109253.db2.gz	INDINFMUECGJBV-GFCCVEGCSA-N	-2	0	332.312	0.811	10	0		ECAERL
CNC(=O)c1ccc(C(=O)NC)c2c(C(=O)[O-])ccc(C(=O)[O-])c12	ZINC000200052447	436695259	/nfs/dbraw/zinc/69/52/59/436695259.db2.gz	GVPZSYRAEBIWEP-UHFFFAOYSA-N	-2	0	330.296	0.955	10	0		ECAERL
O=C([O-])CN(CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1	ZINC000006535892	210648312	/nfs/dbraw/zinc/64/83/12/210648312.db2.gz	PDCSCUOOLRQXQZ-UHFFFAOYSA-N	-2	0	345.149	0.859	10	0		ECAERL
O=C([O-])CS[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O	ZINC000016900439	211939200	/nfs/dbraw/zinc/93/92/00/211939200.db2.gz	UWSGRUCSTGVIOL-SECBINFHSA-N	-2	0	325.298	0.540	10	0		ECAERL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000256048004	436856136	/nfs/dbraw/zinc/85/61/36/436856136.db2.gz	QAWYWHIXIHPQRT-FNFFVJSTSA-N	-2	0	331.324	0.983	10	0		ECAERL
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCCC(=O)[O-]	ZINC000262330398	165331838	/nfs/dbraw/zinc/33/18/38/165331838.db2.gz	GPCARFNTCVYSCM-SECBINFHSA-N	-2	0	347.393	0.329	10	0		ECAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@H](N3CCCC3)C2=O)c1	ZINC000019766950	202019821	/nfs/dbraw/zinc/01/98/21/202019821.db2.gz	INDINFMUECGJBV-LBPRGKRZSA-N	-2	0	332.312	0.811	10	0		ECAERL
CCC[C@@H](NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)C(=O)[O-]	ZINC000262413650	436932860	/nfs/dbraw/zinc/93/28/60/436932860.db2.gz	YNFLLKDJQBVKBP-LLVKDONJSA-N	-2	0	345.359	0.860	10	0		ECAERL
CCOc1cccc(-n2nc(-c3noc(C(=O)[O-])n3)c(=O)[n-]c2=O)c1	ZINC000049455451	202622339	/nfs/dbraw/zinc/62/23/39/202622339.db2.gz	MJAQBILZAATZRM-UHFFFAOYSA-N	-2	0	345.271	0.068	10	0		ECAERL
O=C([O-])C[C@H]1COCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000072474807	610960576	/nfs/dbraw/zinc/96/05/76/610960576.db2.gz	UOOPMWJRUMKQNX-LBPRGKRZSA-N	-2	0	331.328	0.481	10	0		ECAERL
CCC[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)[O-]	ZINC000262331690	165330433	/nfs/dbraw/zinc/33/04/33/165330433.db2.gz	YDPBPMVKEURHHQ-LLVKDONJSA-N	-2	0	346.380	0.864	10	0		ECAERL
O=C([O-])Cn1c2ccccc2c(=O)n(-c2ccccc2C(=O)[O-])c1=O	ZINC000073667404	202371137	/nfs/dbraw/zinc/37/11/37/202371137.db2.gz	QGWDASBVZQHAJC-UHFFFAOYSA-N	-2	0	340.291	0.935	10	0		ECAERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c1	ZINC000100857822	203998541	/nfs/dbraw/zinc/99/85/41/203998541.db2.gz	XKGDWSZCCFMLOH-GFCCVEGCSA-N	-2	0	348.311	0.047	10	0		ECAERL
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1C(=O)[O-]	ZINC000085344802	545715067	/nfs/dbraw/zinc/71/50/67/545715067.db2.gz	CDLPFCJEEAFMRL-SNVBAGLBSA-N	-2	0	329.330	0.631	10	0		ECAERL
O=C([O-])CN(CC(=O)[O-])CC(=O)Nc1cccc(Br)c1	ZINC000110972054	220086385	/nfs/dbraw/zinc/08/63/85/220086385.db2.gz	ZQGFVXTWSRUIJD-UHFFFAOYSA-N	-2	0	345.149	0.859	10	0		ECAERL
COC(=O)C(=O)[C@H]1C(=O)C([O-])=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155425	436942418	/nfs/dbraw/zinc/94/24/18/436942418.db2.gz	LFMPQNTXQKMBIJ-PSASIEDQSA-N	-2	0	326.301	0.107	10	0		ECAERL
CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](CF)C(=O)[O-]	ZINC000262877210	165396784	/nfs/dbraw/zinc/39/67/84/165396784.db2.gz	GQVIKKPTGPNSNP-LLVKDONJSA-N	-2	0	332.353	0.991	10	0		ECAERL
CC(C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]([N-]C(=O)C(F)(F)F)C(=O)[O-]	ZINC000584608704	439605030	/nfs/dbraw/zinc/60/50/30/439605030.db2.gz	GAELSXVJSWSIQS-CRCLSJGQSA-N	-3	0	338.204	0.821	10	0		ECAERL
O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC000072474808	610960590	/nfs/dbraw/zinc/96/05/90/610960590.db2.gz	UOOPMWJRUMKQNX-GFCCVEGCSA-N	-2	0	331.328	0.481	10	0		ECAERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)c2ccc(Br)cc2C1=O	ZINC000004747924	210269191	/nfs/dbraw/zinc/26/91/91/210269191.db2.gz	KKPFUCRZIYDGQO-QMMMGPOBSA-N	-2	0	342.101	0.973	10	0		ECAERL
CCCN(CC(=O)[O-])C(=O)Cc1csc([N-]S(C)(=O)=O)n1	ZINC000038019865	213191792	/nfs/dbraw/zinc/19/17/92/213191792.db2.gz	QGEMHLOVSVNTFQ-UHFFFAOYSA-N	-2	0	335.407	0.380	10	0		ECAERL
O=C([O-])CCS[C@@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000016900413	211939380	/nfs/dbraw/zinc/93/93/80/211939380.db2.gz	CDIMJWXSLHMDSA-SNVBAGLBSA-N	-2	0	339.325	0.930	10	0		ECAERL
C[C@H](S[C@@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O)C(=O)[O-]	ZINC000016900832	211939311	/nfs/dbraw/zinc/93/93/11/211939311.db2.gz	FCMVDRSPMKJEMX-CAHLUQPWSA-N	-2	0	344.370	0.608	10	0		ECAERL
O=C([O-])CS[C@@H]1CC(=O)N(c2ccc(O)c(C(=O)[O-])c2)C1=O	ZINC000016900415	211938956	/nfs/dbraw/zinc/93/89/56/211938956.db2.gz	PFDCZCXKNPODTJ-SECBINFHSA-N	-2	0	325.298	0.540	10	0		ECAERL
Nc1ccc2c(c(N)c(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1O	ZINC000013731262	436065999	/nfs/dbraw/zinc/06/59/99/436065999.db2.gz	JXCSFFDSYCDPCK-UHFFFAOYSA-N	-2	0	334.331	0.203	10	0		ECAERL
C[C@@H](S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O)C(=O)[O-]	ZINC000100856378	219109688	/nfs/dbraw/zinc/10/96/88/219109688.db2.gz	ZMRFLVFQPZMFFN-LDWIPMOCSA-N	-2	0	339.325	0.929	10	0		ECAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCOCC(=O)[O-])c1	ZINC000263430859	245417600	/nfs/dbraw/zinc/41/76/00/245417600.db2.gz	KPVOCCVMNYKIHO-UHFFFAOYSA-N	-2	0	330.362	0.198	10	0		ECAERL
CCCCOCCOCCOCCOCCOP(=O)([O-])[O-]	ZINC000084403513	436380282	/nfs/dbraw/zinc/38/02/82/436380282.db2.gz	KYWZAVZYKUXWSZ-UHFFFAOYSA-N	-2	0	330.314	0.962	10	0		ECAERL
COc1cc(/C=C/C(=O)OC(C(=O)[O-])C(=O)[O-])cc(OC)c1O	ZINC000001529513	560180967	/nfs/dbraw/zinc/18/09/67/560180967.db2.gz	BILXTXFCLYPNMR-ONEGZZNKSA-N	-2	0	326.257	0.504	10	0	in-vitro	ECAERL
O=C([O-])C[C@H](NC(=O)CCCCCNC(=O)C(F)(F)F)C(=O)[O-]	ZINC000221380487	436700935	/nfs/dbraw/zinc/70/09/35/436700935.db2.gz	DXYMKGOWWDHHLL-ZETCQYMHSA-N	-2	0	342.270	0.269	10	0		ECAERL
COCC[C@H](COC[P@@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356359	213207845	/nfs/dbraw/zinc/20/78/45/213207845.db2.gz	GVIQPXIHOVVISX-MRVPVSSYSA-N	-2	0	331.269	0.138	10	0		ECAERL
CCN(CCC(=O)[O-])C(=O)Cc1csc([N-]S(C)(=O)=O)n1	ZINC000038022820	213191876	/nfs/dbraw/zinc/19/18/76/213191876.db2.gz	FRISGVUTHGVCOA-UHFFFAOYSA-N	-2	0	335.407	0.380	10	0		ECAERL
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCCC(=O)[O-]	ZINC000262330400	165331759	/nfs/dbraw/zinc/33/17/59/165331759.db2.gz	GPCARFNTCVYSCM-VIFPVBQESA-N	-2	0	347.393	0.329	10	0		ECAERL
O=C([O-])c1cc(NC(=O)C(=S)N2CCOCC2)cc(C(=O)[O-])c1	ZINC000256031012	436855046	/nfs/dbraw/zinc/85/50/46/436855046.db2.gz	XHNLFBVRHCWTEL-UHFFFAOYSA-N	-2	0	338.341	0.681	10	0		ECAERL
CO[C@@H](CNC(=O)c1cc(C)ccc1[N-]S(C)(=O)=O)C(=O)[O-]	ZINC000263152347	245346510	/nfs/dbraw/zinc/34/65/10/245346510.db2.gz	XCQJZRYPKKASQS-NSHDSACASA-N	-2	0	330.362	0.196	10	0		ECAERL
O=C([O-])[C@@H]1CCCN1C(=O)CCCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000033968495	436253199	/nfs/dbraw/zinc/25/31/99/436253199.db2.gz	LMOHDCRBOOJFTA-QWRGUYRKSA-N	-2	0	326.349	0.308	10	0		ECAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1	ZINC000263007494	436947519	/nfs/dbraw/zinc/94/75/19/436947519.db2.gz	QQJHECDFHXMYFR-GFCCVEGCSA-N	-2	0	342.373	0.292	10	0		ECAERL
O=C(Nc1cccc(CO)c1)N1CCC[C@H]1C(=O)P(=O)([O-])[O-]	ZINC000584644969	439604977	/nfs/dbraw/zinc/60/49/77/439604977.db2.gz	BWHBTKXLZMJRHR-NSHDSACASA-N	-2	0	328.261	0.880	10	0		ECAERL
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCSCC(=O)[O-])c1	ZINC000262439394	436934049	/nfs/dbraw/zinc/93/40/49/436934049.db2.gz	UHGALMMGWSEDPH-UHFFFAOYSA-N	-2	0	346.430	0.914	10	0		ECAERL
C[C@H](S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O)C(=O)[O-]	ZINC000016900444	211939167	/nfs/dbraw/zinc/93/91/67/211939167.db2.gz	ZMRFLVFQPZMFFN-WKEGUHRASA-N	-2	0	339.325	0.929	10	0		ECAERL
O=C([O-])c1ccc([N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)s1	ZINC000035426952	213027205	/nfs/dbraw/zinc/02/72/05/213027205.db2.gz	YMRQOFNOCBDDAG-ZCFIWIBFSA-N	-2	0	325.389	0.375	10	0		ECAERL
O=C([O-])C/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CCC(=O)CCC(=O)[O-]	ZINC000034007327	212973379	/nfs/dbraw/zinc/97/33/79/212973379.db2.gz	XSGSZQDCVYMZGQ-USMULIDLSA-N	-2	0	328.361	0.979	10	0		ECAERL
O=C([O-])CS[C@@H]1CC(=O)N(c2nc(CC(=O)[O-])cs2)C1=O	ZINC000016900828	211938837	/nfs/dbraw/zinc/93/88/37/211938837.db2.gz	KIFMHXSPYYMXDP-ZCFIWIBFSA-N	-2	0	330.343	0.220	10	0		ECAERL
O=S(=O)([O-])c1cc2ccc(O)c(NO)c2c(S(=O)(=O)[O-])c1	ZINC000584640361	439605380	/nfs/dbraw/zinc/60/53/80/439605380.db2.gz	SLAICWDSUYHDPL-UHFFFAOYSA-N	-2	0	335.315	0.840	10	0		ECAERL
O=C([O-])CNC(=O)c1c([O-])c2ccccc2n(OCC2CC2)c1=O	ZINC000210238258	590331340	/nfs/dbraw/zinc/33/13/40/590331340.db2.gz	IKRKQQLJYBAPQT-UHFFFAOYSA-N	-2	0	332.312	0.360	10	0		ECAERL
CCC[C@H](NC(=O)Cc1c(C)nc(-c2ncccn2)[n-]c1=O)C(=O)[O-]	ZINC000262413652	436932668	/nfs/dbraw/zinc/93/26/68/436932668.db2.gz	YNFLLKDJQBVKBP-NSHDSACASA-N	-2	0	345.359	0.860	10	0		ECAERL
O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cc3nnoc3c21	ZINC000038643297	213218844	/nfs/dbraw/zinc/21/88/44/213218844.db2.gz	LECKNZAHKTZQKV-UHFFFAOYSA-N	-2	0	330.299	0.869	10	0		ECAERL
O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000256048005	436856040	/nfs/dbraw/zinc/85/60/40/436856040.db2.gz	QAWYWHIXIHPQRT-YVECIDJPSA-N	-2	0	331.324	0.983	10	0		ECAERL
COC(=O)C(=O)[C@@H]1C(=O)C([O-])=C(CCCCCCC(=O)[O-])C1=O	ZINC000169155510	436942354	/nfs/dbraw/zinc/94/23/54/436942354.db2.gz	LFMPQNTXQKMBIJ-SCZZXKLOSA-N	-2	0	326.301	0.107	10	0		ECAERL
COCC[C@@H](COC[P@@](=O)([O-])O)n1cnc2c1ncnc2N	ZINC000038356357	213207368	/nfs/dbraw/zinc/20/73/68/213207368.db2.gz	GVIQPXIHOVVISX-QMMMGPOBSA-N	-2	0	331.269	0.138	10	0		ECAERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)c2ccc(Br)cc2C1=O	ZINC000004747925	210269460	/nfs/dbraw/zinc/26/94/60/210269460.db2.gz	KKPFUCRZIYDGQO-MRVPVSSYSA-N	-2	0	342.101	0.973	10	0		ECAERL