smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2C[C@H]1C	ZINC000011174905	539525406	/nfs/dbraw/zinc/52/54/06/539525406.db2.gz	UNZNZNMLQXOYKC-LLVKDONJSA-N	-2	3	374.418	2.483	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(Br)o1	ZINC000055329845	206380549	/nfs/dbraw/zinc/38/05/49/206380549.db2.gz	BXJUUUBKMYOWKG-MRVPVSSYSA-N	-2	3	364.217	2.375	50	0		FEAAHL
Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1C(=O)[O-]	ZINC000091504683	542810714	/nfs/dbraw/zinc/81/07/14/542810714.db2.gz	NBPJTYJCQBDSBB-LSDHHAIUSA-N	-2	3	350.378	2.207	50	0		FEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000102819404	570839971	/nfs/dbraw/zinc/83/99/71/570839971.db2.gz	RQUWZMSNRXOFHW-GJZGRUSLSA-N	-2	3	358.304	2.471	50	0		FEAAHL
CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000002657857	204050709	/nfs/dbraw/zinc/05/07/09/204050709.db2.gz	VKWGFUJHFMMSHD-VIFPVBQESA-N	-2	3	358.268	2.478	50	0		FEAAHL
COc1ccc(CNC(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)cc1	ZINC000008490563	206218361	/nfs/dbraw/zinc/21/83/61/206218361.db2.gz	GDNLUQOUDPBLHI-UHFFFAOYSA-N	-2	3	369.373	2.380	50	0		FEAAHL
Cc1ccc(C(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)c([O-])c1	ZINC000091951129	542833930	/nfs/dbraw/zinc/83/39/30/542833930.db2.gz	QZLQBHAZNUXVJM-AWEZNQCLSA-N	-2	3	374.437	2.019	50	0		FEAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)c1	ZINC000101260815	543026764	/nfs/dbraw/zinc/02/67/64/543026764.db2.gz	HKLDUTJAZFUCGE-HZPDHXFCSA-N	-2	3	352.350	2.202	50	0		FEAAHL
O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(Br)c([O-])c1	ZINC000170610510	546164521	/nfs/dbraw/zinc/16/45/21/546164521.db2.gz	SACXLXQUGUNZMM-JTQLQIEISA-N	-2	3	350.234	2.466	50	0		FEAAHL
Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)s1	ZINC000185017050	547917897	/nfs/dbraw/zinc/91/78/97/547917897.db2.gz	KUJKJCZNIHTATK-UHFFFAOYSA-N	-2	3	372.443	2.427	50	0		FEAAHL
CC(C)(C)NC(=O)CSc1nc([O-])c(Cc2ccccc2F)c(=O)[n-]1	ZINC000013453997	539587960	/nfs/dbraw/zinc/58/79/60/539587960.db2.gz	XMSUJCMNDLGDLS-UHFFFAOYSA-N	-2	3	365.430	2.212	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000032962209	539960974	/nfs/dbraw/zinc/96/09/74/539960974.db2.gz	JSNMGAFEWSLEBH-UHFFFAOYSA-N	-2	3	362.407	2.022	50	0		FEAAHL
O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-c2nnn[n-]2)C1	ZINC000072146916	541788280	/nfs/dbraw/zinc/78/82/80/541788280.db2.gz	GDHKGJJWEQVQKY-GFCCVEGCSA-N	-2	3	363.377	2.195	50	0		FEAAHL
O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2ccccc2-c2nn[n-]n2)C1	ZINC000072146916	541788283	/nfs/dbraw/zinc/78/82/83/541788283.db2.gz	GDHKGJJWEQVQKY-GFCCVEGCSA-N	-2	3	363.377	2.195	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(OC)c4)c=3c2=O)cc1	ZINC000101277712	543026563	/nfs/dbraw/zinc/02/65/63/543026563.db2.gz	BALCFQTUNZJSSZ-HZPDHXFCSA-N	-2	3	352.350	2.202	50	0		FEAAHL
CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)[O-]	ZINC000670435486	571346519	/nfs/dbraw/zinc/34/65/19/571346519.db2.gz	YZSOGGQJIAZFPN-SECBINFHSA-N	-2	3	366.892	2.252	50	0		FEAAHL
Cc1ccc(NC(=O)CSc2nc([O-])c(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000004917803	204175476	/nfs/dbraw/zinc/17/54/76/204175476.db2.gz	MKBJIDHLQBLEJF-UHFFFAOYSA-N	-2	3	367.430	2.463	50	0		FEAAHL
O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1	ZINC000095479490	542973126	/nfs/dbraw/zinc/97/31/26/542973126.db2.gz	ROPJAWAXLYTGDG-CYBMUJFWSA-N	-2	3	357.366	2.350	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)cc1OC	ZINC000102818927	570839877	/nfs/dbraw/zinc/83/98/77/570839877.db2.gz	RLVLZMDTZZSDQC-JKSUJKDBSA-N	-2	3	352.350	2.202	50	0		FEAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)c1	ZINC000000980232	539337240	/nfs/dbraw/zinc/33/72/40/539337240.db2.gz	TXNAADACVDGTPZ-UHFFFAOYSA-N	-2	3	354.453	2.476	50	0		FEAAHL
CCN(CC)C(=O)CSc1nc([O-])c(Cc2ccccc2F)c(=O)[n-]1	ZINC000013957213	539593560	/nfs/dbraw/zinc/59/35/60/539593560.db2.gz	IMCJEQSEBJBOHA-UHFFFAOYSA-N	-2	3	365.430	2.166	50	0		FEAAHL
Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000006759263	204266595	/nfs/dbraw/zinc/26/65/95/204266595.db2.gz	MJLKKDGIYAXWMW-UHFFFAOYSA-N	-2	3	359.403	2.476	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc2c1OCCO2	ZINC000057115805	205235480	/nfs/dbraw/zinc/23/54/80/205235480.db2.gz	XBFZZBRHMLHIPF-UHFFFAOYSA-N	-2	3	371.317	2.235	50	0		FEAAHL
COc1cccc([C@@H]2CN(C(=O)c3ccc([O-])cc3)C[C@H]2C(=O)[O-])c1OC	ZINC000091441724	542807517	/nfs/dbraw/zinc/80/75/17/542807517.db2.gz	XWNANRVWEBRUQV-JKSUJKDBSA-N	-2	3	371.389	2.350	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc12	ZINC000011865448	539537128	/nfs/dbraw/zinc/53/71/28/539537128.db2.gz	BMXGCWDTEDSBSJ-MRXNPFEDSA-N	-2	3	361.394	2.273	50	0		FEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000033114701	539968795	/nfs/dbraw/zinc/96/87/95/539968795.db2.gz	RQUWZMSNRXOFHW-CABCVRRESA-N	-2	3	358.304	2.471	50	0		FEAAHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000001138147	203987120	/nfs/dbraw/zinc/98/71/20/203987120.db2.gz	JECFPOQCDNMEJQ-UHFFFAOYSA-N	-2	3	354.453	2.476	50	0		FEAAHL
CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002158148	206152600	/nfs/dbraw/zinc/15/26/00/206152600.db2.gz	PYBJBBDDKVNUQD-ABKXIKBNSA-N	-2	3	361.394	2.273	50	0	biogenic	FEAAHL
CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc2n[n-]nc2c1	ZINC000014375747	539602418	/nfs/dbraw/zinc/60/24/18/539602418.db2.gz	ZCWTZJYAGWJUSV-UHFFFAOYSA-N	-2	3	368.422	2.308	50	0		FEAAHL
COc1ccc([O-])c(C(=O)N2CCc3c(c(C(=O)[O-])nn3CC(C)C)C2)c1	ZINC000067946641	541531858	/nfs/dbraw/zinc/53/18/58/541531858.db2.gz	HSSFVKZKPJVVJH-UHFFFAOYSA-N	-2	3	373.409	2.150	50	0		FEAAHL
Cc1ccc([O-])c(C(=O)N2CCc3c(nc(-c4cccnc4)[n-]c3=O)C2)c1	ZINC000071746779	541769182	/nfs/dbraw/zinc/76/91/82/541769182.db2.gz	BVDIZLCXCKAIDS-UHFFFAOYSA-N	-2	3	362.389	2.044	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)oc12	ZINC000009531182	204373623	/nfs/dbraw/zinc/37/36/23/204373623.db2.gz	VGJRXSNFVOXFSD-ZDUSSCGKSA-N	-2	3	373.405	2.371	50	0		FEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000102819407	570839965	/nfs/dbraw/zinc/83/99/65/570839965.db2.gz	RQUWZMSNRXOFHW-HUUCEWRRSA-N	-2	3	358.304	2.471	50	0		FEAAHL
COc1cccc([C@H]([N-]S(=O)(=O)c2cnc(C3CC3)s2)C(=O)[O-])c1	ZINC000585098028	571320463	/nfs/dbraw/zinc/32/04/63/571320463.db2.gz	GZAWCGRDDSTJDR-ZDUSSCGKSA-N	-2	3	368.436	2.133	50	0		FEAAHL
O=C(c1cnn(C([O-])=C2COc3ccccc3O2)c1)c1cc(F)ccc1[O-]	ZINC000014169886	539597382	/nfs/dbraw/zinc/59/73/82/539597382.db2.gz	DHARNUGPKYVBNQ-QGZVFWFLSA-N	-2	3	368.320	2.439	50	0		FEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C\C(=O)[O-])cc2)cc1	ZINC000033333821	539974609	/nfs/dbraw/zinc/97/46/09/539974609.db2.gz	VZHMJEMUGJULJE-KHPPLWFESA-N	-2	3	360.391	2.375	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)oc12	ZINC000002108093	204026518	/nfs/dbraw/zinc/02/65/18/204026518.db2.gz	SXMNRLQIXOVXCY-CQSZACIVSA-N	-2	3	359.378	2.124	50	0		FEAAHL
CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-]	ZINC000002657858	204050115	/nfs/dbraw/zinc/05/01/15/204050115.db2.gz	VKWGFUJHFMMSHD-SECBINFHSA-N	-2	3	358.268	2.478	50	0		FEAAHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1ccccc1	ZINC000004591495	204149749	/nfs/dbraw/zinc/14/97/49/204149749.db2.gz	IOBMRSHYFCUWIZ-UHFFFAOYSA-N	-2	3	353.403	2.155	50	0		FEAAHL
Cc1cccc(NC(=O)c2[n-]nnc2[N-]S(=O)(=O)c2ccccc2)c1	ZINC000004499984	204142105	/nfs/dbraw/zinc/14/21/05/204142105.db2.gz	XJJLADRKJOWLOU-UHFFFAOYSA-N	-2	3	357.395	2.166	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)oc12	ZINC000009531183	204373117	/nfs/dbraw/zinc/37/31/17/204373117.db2.gz	VGJRXSNFVOXFSD-CYBMUJFWSA-N	-2	3	373.405	2.371	50	0		FEAAHL
Cc1ccc([O-])c(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)c1	ZINC000219197788	206379971	/nfs/dbraw/zinc/37/99/71/206379971.db2.gz	FGXMGQLVVNEYTL-SJLPKXTDSA-N	-2	3	371.389	2.365	50	0		FEAAHL
CC(C)(C)c1cc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)[n-]c(=O)n1	ZINC000299773430	553613303	/nfs/dbraw/zinc/61/33/03/553613303.db2.gz	AVCJDXWRPRNPTB-HXUWFJFHSA-N	-2	3	369.421	2.348	50	0		FEAAHL
COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000000360200	539331528	/nfs/dbraw/zinc/33/15/28/539331528.db2.gz	HOKQFDDYBGCKKI-UHFFFAOYSA-N	-2	3	350.352	2.364	50	0		FEAAHL
COc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(C(=O)[O-])c1OC	ZINC000071819805	208185293	/nfs/dbraw/zinc/18/52/93/208185293.db2.gz	QQUMIENDRBRUDC-UHFFFAOYSA-N	-2	3	373.333	2.481	50	0		FEAAHL
CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000089391796	542762430	/nfs/dbraw/zinc/76/24/30/542762430.db2.gz	FMXFJGCHVZFDCU-UHFFFAOYSA-N	-2	3	368.798	2.199	50	0		FEAAHL
O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000001173102	539340117	/nfs/dbraw/zinc/34/01/17/539340117.db2.gz	DVCBXXKZTPMJQS-MDZDMXLPSA-N	-2	3	364.354	2.206	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1C	ZINC000001072087	219364219	/nfs/dbraw/zinc/36/42/19/219364219.db2.gz	ASPZVNOKEFCYNH-UHFFFAOYSA-N	-2	3	351.380	2.268	50	0		FEAAHL
COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc(C(=O)[O-])c1OC	ZINC000045945875	209327882	/nfs/dbraw/zinc/32/78/82/209327882.db2.gz	LGPVWNHQLNGSTL-UHFFFAOYSA-N	-2	3	355.343	2.342	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)cc1OC	ZINC000102818922	209242901	/nfs/dbraw/zinc/24/29/01/209242901.db2.gz	RLVLZMDTZZSDQC-HOTGVXAUSA-N	-2	3	352.350	2.202	50	0		FEAAHL
O=C(c1cnn(C([O-])=C2COc3ccccc3O2)c1)c1ccccc1[O-]	ZINC000006996991	207183311	/nfs/dbraw/zinc/18/33/11/207183311.db2.gz	JWUXRVQATXQXER-QGZVFWFLSA-N	-2	3	350.330	2.300	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc(C(F)(F)F)c1	ZINC000265430746	329126252	/nfs/dbraw/zinc/12/62/52/329126252.db2.gz	RNISOGPVNNMBRJ-NSHDSACASA-N	-2	3	353.318	2.324	50	0		FEAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1C	ZINC000001164709	539339186	/nfs/dbraw/zinc/33/91/86/539339186.db2.gz	JIIJAOQTUQLXBQ-UHFFFAOYSA-N	-2	3	354.453	2.476	50	0		FEAAHL
Cc1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc12	ZINC000010274236	539515019	/nfs/dbraw/zinc/51/50/19/539515019.db2.gz	AOWVOBWZFJRJJR-UHFFFAOYSA-N	-2	3	358.375	2.336	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F	ZINC000013001720	539582483	/nfs/dbraw/zinc/58/24/83/539582483.db2.gz	ZJHRADXMZFQXPH-UHFFFAOYSA-N	-2	3	353.327	2.096	50	0		FEAAHL
CCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2cccs2)[n-]c1=O	ZINC000013407811	539587064	/nfs/dbraw/zinc/58/70/64/539587064.db2.gz	LCDHOAWPPZBTDQ-UHFFFAOYSA-N	-2	3	356.429	2.015	50	0		FEAAHL
O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1	ZINC000095479489	209058672	/nfs/dbraw/zinc/05/86/72/209058672.db2.gz	ROPJAWAXLYTGDG-ZDUSSCGKSA-N	-2	3	357.366	2.350	50	0		FEAAHL
COCc1nc([C@H]2C[C@@H](Nc3nc(C)[n-]c(=O)c3Cl)C2)cc(=O)[n-]1	ZINC000253535319	549690316	/nfs/dbraw/zinc/69/03/16/549690316.db2.gz	SKYGAIOSYYODFN-DTORHVGOSA-N	-2	3	351.794	2.144	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(Br)o1	ZINC000055329844	540646988	/nfs/dbraw/zinc/64/69/88/540646988.db2.gz	BXJUUUBKMYOWKG-QMMMGPOBSA-N	-2	3	364.217	2.375	50	0		FEAAHL
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096116736	542991912	/nfs/dbraw/zinc/99/19/12/542991912.db2.gz	SLZNMBKRXFMOLK-LLVKDONJSA-N	-2	3	374.780	2.454	50	0		FEAAHL
CO[N-]C(=O)Nc1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1C	ZINC000016956011	518772110	/nfs/dbraw/zinc/77/21/10/518772110.db2.gz	XVILNRGJKUYHOQ-UHFFFAOYSA-N	-2	3	356.429	2.244	50	0		FEAAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000012885449	539577624	/nfs/dbraw/zinc/57/76/24/539577624.db2.gz	ATMGIQPUSPSEIY-UHFFFAOYSA-N	-2	3	352.343	2.283	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1OC	ZINC000024433292	539731194	/nfs/dbraw/zinc/73/11/94/539731194.db2.gz	RWDYGHONVAAYRF-UHFFFAOYSA-N	-2	3	355.343	2.342	50	0		FEAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000025501504	539760824	/nfs/dbraw/zinc/76/08/24/539760824.db2.gz	VOEKYBDELNBZOH-CYBMUJFWSA-N	-2	3	374.418	2.233	50	0		FEAAHL
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc21	ZINC000007360913	209510645	/nfs/dbraw/zinc/51/06/45/209510645.db2.gz	OURMVMLSSGJSKW-UHFFFAOYSA-N	-2	3	360.391	2.095	50	0		FEAAHL
C[N-]S(=O)(=O)c1cc(Cl)ccc1[S@](=O)c1ccccc1C(=O)[O-]	ZINC000004375726	207016460	/nfs/dbraw/zinc/01/64/60/207016460.db2.gz	LRXVYUVHTLVCAE-QFIPXVFZSA-N	-2	3	373.839	2.113	50	0		FEAAHL
COc1ccccc1CNC(=O)Cc1c(C)c2c([O-])cc([O-])cc2oc1=O	ZINC000004090011	539376273	/nfs/dbraw/zinc/37/62/73/539376273.db2.gz	JSDBJXBEYKZZID-UHFFFAOYSA-N	-2	3	369.373	2.380	50	0	biogenic	FEAAHL
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccccc1OCC(=O)[O-])CC(=O)O2	ZINC000217918745	548683840	/nfs/dbraw/zinc/68/38/40/548683840.db2.gz	FKEPELUHAGLLLA-ZDUSSCGKSA-N	-2	3	356.330	2.499	50	0		FEAAHL
CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC(O)C1	ZINC000223502066	548720971	/nfs/dbraw/zinc/72/09/71/548720971.db2.gz	HQWJODFCQGLSCK-TYAJBCFHSA-N	-2	3	365.810	2.005	50	0		FEAAHL
CCCC[C@@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002152966	539345578	/nfs/dbraw/zinc/34/55/78/539345578.db2.gz	LELAZSWZMLVOQI-CQSZACIVSA-N	-2	3	361.394	2.418	50	0	biogenic	FEAAHL
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1NC(C)=O	ZINC000006316004	539425020	/nfs/dbraw/zinc/42/50/20/539425020.db2.gz	VFWJRVKLKIRFSW-UHFFFAOYSA-N	-2	3	364.379	2.153	50	0		FEAAHL
CC1(C)Cc2c(sc3c2-c2nnc([S-])n2-c2nnc([S-])n2-3)CO1	ZINC000006782498	539436938	/nfs/dbraw/zinc/43/69/38/539436938.db2.gz	YDZGVXMQMZJNIR-UHFFFAOYSA-N	-2	3	364.481	2.319	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1F	ZINC000007052161	539445711	/nfs/dbraw/zinc/44/57/11/539445711.db2.gz	HFSKRCDQEOWLLT-UHFFFAOYSA-N	-2	3	353.327	2.096	50	0		FEAAHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)c1	ZINC000015682361	539621754	/nfs/dbraw/zinc/62/17/54/539621754.db2.gz	DEFRMNIYPAGTCE-UHFFFAOYSA-N	-2	3	365.436	2.056	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1OC	ZINC000102818205	209241835	/nfs/dbraw/zinc/24/18/35/209241835.db2.gz	LDLLUNIFANAXMZ-JKSUJKDBSA-N	-2	3	370.340	2.341	50	0		FEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccccc1	ZINC000101765746	209231094	/nfs/dbraw/zinc/23/10/94/209231094.db2.gz	KIEQPCLOGITGMH-LBPRGKRZSA-N	-2	3	358.423	2.236	50	0		FEAAHL
Cc1ccc(NC(=O)c2[n-]nnc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000004497831	207022596	/nfs/dbraw/zinc/02/25/96/207022596.db2.gz	TUUDTXKDUJEZJJ-UHFFFAOYSA-N	-2	3	371.422	2.475	50	0		FEAAHL
O=C(c1cnn(C([O-])=C2COc3ccccc3O2)c1)c1ccccc1[O-]	ZINC000006996984	207182206	/nfs/dbraw/zinc/18/22/06/207182206.db2.gz	JWUXRVQATXQXER-KRWDZBQOSA-N	-2	3	350.330	2.300	50	0		FEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1	ZINC000007361831	207194495	/nfs/dbraw/zinc/19/44/95/207194495.db2.gz	CDMZCKAHZDKHSA-UHFFFAOYSA-N	-2	3	351.380	2.268	50	0		FEAAHL
Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncccc3[O-])c2)no1	ZINC000022265406	207801449	/nfs/dbraw/zinc/80/14/49/207801449.db2.gz	PUQIFCLQKZZGTG-UHFFFAOYSA-N	-2	3	374.378	2.137	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc12	ZINC000004064912	539375461	/nfs/dbraw/zinc/37/54/61/539375461.db2.gz	SXMNRLQIXOVXCY-AWEZNQCLSA-N	-2	3	359.378	2.124	50	0	biogenic	FEAAHL
CCc1c([O-])nc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000010060473	539511868	/nfs/dbraw/zinc/51/18/68/539511868.db2.gz	NBDBFJAZLAOXAY-JTQLQIEISA-N	-2	3	361.423	2.360	50	0		FEAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]cnc3c2)ccc1OCC(=O)[O-]	ZINC000328595902	210109808	/nfs/dbraw/zinc/10/98/08/210109808.db2.gz	JRHFQBBRGZMDPD-UHFFFAOYSA-N	-2	3	361.379	2.136	50	0		FEAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc3nc[nH]c3c2)ccc1OCC(=O)[O-]	ZINC000328595902	210109813	/nfs/dbraw/zinc/10/98/13/210109813.db2.gz	JRHFQBBRGZMDPD-UHFFFAOYSA-N	-2	3	361.379	2.136	50	0		FEAAHL
O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@@H](C(=O)Nc2ncccc2[O-])C1	ZINC000058401972	212007401	/nfs/dbraw/zinc/00/74/01/212007401.db2.gz	IKKHAYJDLDGKNA-VXGBXAGGSA-N	-2	3	356.382	2.271	50	0		FEAAHL
O=C([O-])c1ccc2cccc([N-]S(=O)(=O)NCc3ccccc3)c2n1	ZINC000071745839	221358206	/nfs/dbraw/zinc/35/82/06/221358206.db2.gz	HEJQPFRTEMYXOM-UHFFFAOYSA-N	-2	3	357.391	2.380	50	0		FEAAHL
COc1ccc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)c([O-])c1	ZINC000091847089	542828361	/nfs/dbraw/zinc/82/83/61/542828361.db2.gz	DENTYMNYFQZTKR-JKSUJKDBSA-N	-2	3	359.353	2.480	50	0		FEAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)c1	ZINC000101260810	222267047	/nfs/dbraw/zinc/26/70/47/222267047.db2.gz	HKLDUTJAZFUCGE-HOTGVXAUSA-N	-2	3	352.350	2.202	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(=O)sc3c2)ccc1O	ZINC000003653682	539373090	/nfs/dbraw/zinc/37/30/90/539373090.db2.gz	BBRGGYHKFUMBOV-UHFFFAOYSA-N	-2	3	367.360	2.059	50	0		FEAAHL
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ccc([O-])c(Cl)c1)CC2	ZINC000082091990	542682918	/nfs/dbraw/zinc/68/29/18/542682918.db2.gz	MDDSGDDGHSDOFQ-HNNXBMFYSA-N	-2	3	366.845	2.333	50	0		FEAAHL
COc1cccc([C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]2C(=O)[O-])c1OC	ZINC000091468494	542809534	/nfs/dbraw/zinc/80/95/34/542809534.db2.gz	UAOLASYTAMONBH-JKSUJKDBSA-N	-2	3	371.389	2.350	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1OC	ZINC000047383488	570886986	/nfs/dbraw/zinc/88/69/86/570886986.db2.gz	VYCDGMXVDCOEJS-UHFFFAOYSA-N	-2	3	373.333	2.481	50	0		FEAAHL
Cc1c([O-])ccc2c(CC(=O)NCC3CCC(C(=O)[O-])CC3)cc(=O)oc12	ZINC000002105285	539344694	/nfs/dbraw/zinc/34/46/94/539344694.db2.gz	AAGZXUAWWBZQIW-UHFFFAOYSA-N	-2	3	373.405	2.357	50	0	biogenic	FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(OC)c4)c=3c2=O)cc1	ZINC000033274046	539973124	/nfs/dbraw/zinc/97/31/24/539973124.db2.gz	BALCFQTUNZJSSZ-JKSUJKDBSA-N	-2	3	352.350	2.202	50	0		FEAAHL
O=C([N-]c1nnc(S(=O)(=O)[N-]c2ccccc2)s1)c1ccco1	ZINC000015674463	211135359	/nfs/dbraw/zinc/13/53/59/211135359.db2.gz	SWKDEKMLDHEQLU-UHFFFAOYSA-N	-2	3	350.381	2.184	50	0		FEAAHL
O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)c2[n-]c(=O)nc3ccccc32)C1	ZINC000091707360	542821428	/nfs/dbraw/zinc/82/14/28/542821428.db2.gz	IOQOPMAKYROZJO-LJQANCHMSA-N	-2	3	355.394	2.443	50	0		FEAAHL
CCc1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)[n-]c1=O	ZINC000009907707	539510073	/nfs/dbraw/zinc/51/00/73/539510073.db2.gz	RHJGLHHIVUTNLR-UHFFFAOYSA-N	-2	3	362.436	2.378	50	0		FEAAHL
Cc1cc(C)nc(N=C2[N-]C(=O)C[C@@H](C(=O)[O-])N2c2ccc(C)c(C)c2)n1	ZINC000000801846	132378498	/nfs/dbraw/zinc/37/84/98/132378498.db2.gz	NBVXJMFETHPWHP-HNNXBMFYSA-N	-2	3	367.409	2.368	50	0		FEAAHL
CC(C)(C)c1cc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)[n-]c(=O)n1	ZINC000299773429	210019636	/nfs/dbraw/zinc/01/96/36/210019636.db2.gz	AVCJDXWRPRNPTB-FQEVSTJZSA-N	-2	3	369.421	2.348	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1OC	ZINC000012770824	220026720	/nfs/dbraw/zinc/02/67/20/220026720.db2.gz	SDUDTVMRKGPXGX-UHFFFAOYSA-N	-2	3	355.343	2.342	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F	ZINC000012873813	220038157	/nfs/dbraw/zinc/03/81/57/220038157.db2.gz	SWOFNROSJZMERZ-UHFFFAOYSA-N	-2	3	367.354	2.486	50	0		FEAAHL
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCSCC2)c2ccc(F)cc21	ZINC000036358269	211662239	/nfs/dbraw/zinc/66/22/39/211662239.db2.gz	ICPYABLFROVPEI-MRXNPFEDSA-N	-2	3	366.414	2.430	50	0		FEAAHL
CS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1F	ZINC000071286703	221340463	/nfs/dbraw/zinc/34/04/63/221340463.db2.gz	COHKFQYXQKBESO-UHFFFAOYSA-N	-2	3	366.370	2.077	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000101271018	222266017	/nfs/dbraw/zinc/26/60/17/222266017.db2.gz	JLKJBHYKUVVEPL-HOTGVXAUSA-N	-2	3	370.340	2.341	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1	ZINC000101277786	222267759	/nfs/dbraw/zinc/26/77/59/222267759.db2.gz	KHHFFONFXRHVRC-HZPDHXFCSA-N	-2	3	370.340	2.341	50	0		FEAAHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(Br)c2)c[n-]1	ZINC000170617391	546166122	/nfs/dbraw/zinc/16/61/22/546166122.db2.gz	CNIABDDZMRIERL-UHFFFAOYSA-N	-2	3	374.216	2.150	50	0		FEAAHL
CCOC(=O)c1ncc([N-]S(=O)(=O)c2cccc(Br)c2)[n-]1	ZINC000170617391	546166126	/nfs/dbraw/zinc/16/61/26/546166126.db2.gz	CNIABDDZMRIERL-UHFFFAOYSA-N	-2	3	374.216	2.150	50	0		FEAAHL
CCCCNC(=O)CSc1nc([O-])c(Cc2ccccc2F)c(=O)[n-]1	ZINC000013453993	211034610	/nfs/dbraw/zinc/03/46/10/211034610.db2.gz	BKZLFMSHWQGEIX-UHFFFAOYSA-N	-2	3	365.430	2.214	50	0		FEAAHL
Cc1ccc(N2C(=Nc3nc(C)cc(C)n3)[N-]C(=O)C[C@@H]2C(=O)[O-])cc1	ZINC000000814382	132378792	/nfs/dbraw/zinc/37/87/92/132378792.db2.gz	PSRCUSDEKWVQGK-CQSZACIVSA-N	-2	3	353.382	2.060	50	0		FEAAHL
Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[n-]1	ZINC000095368401	542961548	/nfs/dbraw/zinc/96/15/48/542961548.db2.gz	TXQRKVPMXCYQHE-INIZCTEOSA-N	-2	3	369.421	2.034	50	0		FEAAHL
CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(C(=O)[O-])cc1	ZINC000079479854	542521494	/nfs/dbraw/zinc/52/14/94/542521494.db2.gz	XCNOKPVKTWPRDO-UHFFFAOYSA-N	-2	3	367.365	2.263	50	0		FEAAHL
Cc1cc(C)nc(N=C2[N-]C(=O)C[C@H](C(=O)[O-])N2c2ccc(C)c(C)c2)n1	ZINC000000801845	132378555	/nfs/dbraw/zinc/37/85/55/132378555.db2.gz	NBVXJMFETHPWHP-OAHLLOKOSA-N	-2	3	367.409	2.368	50	0		FEAAHL
Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)ccc1[O-]	ZINC000091713696	542821068	/nfs/dbraw/zinc/82/10/68/542821068.db2.gz	IXFRCSQWELKNAC-CQSZACIVSA-N	-2	3	374.437	2.019	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc(C(F)(F)F)c1	ZINC000265430745	329126374	/nfs/dbraw/zinc/12/63/74/329126374.db2.gz	RNISOGPVNNMBRJ-LLVKDONJSA-N	-2	3	353.318	2.324	50	0		FEAAHL
CCC[C@@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002154825	539345781	/nfs/dbraw/zinc/34/57/81/539345781.db2.gz	RVKHMPRQGMIINT-CQSZACIVSA-N	-2	3	361.394	2.418	50	0	biogenic	FEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)cc1	ZINC000006144452	539423045	/nfs/dbraw/zinc/42/30/45/539423045.db2.gz	VZHMJEMUGJULJE-ZHACJKMWSA-N	-2	3	360.391	2.375	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)cc1OC	ZINC000033114674	539968996	/nfs/dbraw/zinc/96/89/96/539968996.db2.gz	RLVLZMDTZZSDQC-HZPDHXFCSA-N	-2	3	352.350	2.202	50	0		FEAAHL
COCCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1	ZINC000091997785	542835402	/nfs/dbraw/zinc/83/54/02/542835402.db2.gz	LPWUNYCDYMGVPQ-GOSISDBHSA-N	-2	3	353.390	2.194	50	0		FEAAHL
CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2ncc(C(=O)[O-])cn2)s1	ZINC000585124143	571320661	/nfs/dbraw/zinc/32/06/61/571320661.db2.gz	SDYHEPAXCASWNM-UHFFFAOYSA-N	-2	3	355.441	2.012	50	0		FEAAHL
C[N-]S(=O)(=O)c1cc(Cl)ccc1[S@@](=O)c1ccccc1C(=O)[O-]	ZINC000004375725	539383863	/nfs/dbraw/zinc/38/38/63/539383863.db2.gz	LRXVYUVHTLVCAE-JOCHJYFZSA-N	-2	3	373.839	2.113	50	0		FEAAHL
O=C(Nc1ncccc1[O-])C1CCC(C(=O)Nc2ncccc2[O-])CC1	ZINC000012794820	220031835	/nfs/dbraw/zinc/03/18/35/220031835.db2.gz	DITNEGYBPYBOSZ-UHFFFAOYSA-N	-2	3	356.382	2.271	50	0		FEAAHL
O=C(CSc1nc([O-])cc(=O)[n-]1)NC(c1ccccc1)c1ccccc1	ZINC000016475191	220185488	/nfs/dbraw/zinc/18/54/88/220185488.db2.gz	NPYMTWTTYTVYIO-UHFFFAOYSA-N	-2	3	367.430	2.473	50	0		FEAAHL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1F	ZINC000048331793	221008308	/nfs/dbraw/zinc/00/83/08/221008308.db2.gz	BORRQMGIEBKBPR-UHFFFAOYSA-N	-2	3	357.334	2.401	50	0		FEAAHL
Cc1ccc(F)c([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000057115986	221084411	/nfs/dbraw/zinc/08/44/11/221084411.db2.gz	JWIYQLZNBROKRN-UHFFFAOYSA-N	-2	3	367.354	2.404	50	0		FEAAHL
CCn1c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[n-]c1=S	ZINC000002144999	539345841	/nfs/dbraw/zinc/34/58/41/539345841.db2.gz	IQROFDNPECNEHP-LLVKDONJSA-N	-2	3	364.379	2.321	50	0	biogenic	FEAAHL
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2[O-])C1=O	ZINC000004690454	539390620	/nfs/dbraw/zinc/39/06/20/539390620.db2.gz	HTGKOZGPGWNHJE-RUDMXATFSA-N	-2	3	358.169	2.276	50	0		FEAAHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccnc3)cs2)no1	ZINC000006681821	539435104	/nfs/dbraw/zinc/43/51/04/539435104.db2.gz	LBUBQWIMFGDCFF-UHFFFAOYSA-N	-2	3	364.408	2.493	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C(=O)[O-])c2)cc1	ZINC000032962239	539961161	/nfs/dbraw/zinc/96/11/61/539961161.db2.gz	BYOXUFIZHMHHAY-UHFFFAOYSA-N	-2	3	350.396	2.260	50	0		FEAAHL
Cc1ccc(NC(=O)c2[n-]nnc2[N-]S(=O)(=O)c2ccccc2)c(C)c1	ZINC000004499988	219579991	/nfs/dbraw/zinc/57/99/91/219579991.db2.gz	KPBPIPXVAKGJIJ-UHFFFAOYSA-N	-2	3	371.422	2.475	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000101271019	222266309	/nfs/dbraw/zinc/26/63/09/222266309.db2.gz	JLKJBHYKUVVEPL-CVEARBPZSA-N	-2	3	370.340	2.341	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000102819394	222309039	/nfs/dbraw/zinc/30/90/39/222309039.db2.gz	YCXXCRYZYOIVKX-LSDHHAIUSA-N	-2	3	358.304	2.471	50	0		FEAAHL
COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc(C(=O)[O-])c1OC	ZINC000045946997	537708570	/nfs/dbraw/zinc/70/85/70/537708570.db2.gz	AYRAIRLDATWLCD-UHFFFAOYSA-N	-2	3	373.333	2.481	50	0		FEAAHL
Cc1c([O-])ccc2c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc(=O)oc12	ZINC000002098976	539345091	/nfs/dbraw/zinc/34/50/91/539345091.db2.gz	NVUSCGNULWDBOO-SFHVURJKSA-N	-2	3	367.357	2.292	50	0	biogenic	FEAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12	ZINC000002155102	539345755	/nfs/dbraw/zinc/34/57/55/539345755.db2.gz	NFRAFQYOBWWQRI-AWEZNQCLSA-N	-2	3	361.394	2.273	50	0	biogenic	FEAAHL
CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)n[n-]1	ZINC000008611634	539489103	/nfs/dbraw/zinc/48/91/03/539489103.db2.gz	UZSXMXZFWBXAAA-UHFFFAOYSA-N	-2	3	359.791	2.049	50	0		FEAAHL
CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])cc2)c1	ZINC000009544605	539503737	/nfs/dbraw/zinc/50/37/37/539503737.db2.gz	DQNJLNFZKKIHCC-UHFFFAOYSA-N	-2	3	364.423	2.381	50	0		FEAAHL
COc1cc(C(=O)[N-]n2cn[n-]c2=S)cc(OC)c1Br	ZINC000009530662	539503924	/nfs/dbraw/zinc/50/39/24/539503924.db2.gz	BNESTBHBZLSBCF-UHFFFAOYSA-N	-2	3	359.205	2.104	50	0		FEAAHL
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)s2)o1	ZINC000030568983	539885718	/nfs/dbraw/zinc/88/57/18/539885718.db2.gz	GOGNHJRCNOBWNP-UHFFFAOYSA-N	-2	3	370.456	2.338	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000033114673	539969050	/nfs/dbraw/zinc/96/90/50/539969050.db2.gz	JLKJBHYKUVVEPL-HZPDHXFCSA-N	-2	3	370.340	2.341	50	0		FEAAHL
O=C(c1cnn(C([O-])=C2COc3ccccc3O2)c1)c1cc(F)ccc1[O-]	ZINC000014169884	220111765	/nfs/dbraw/zinc/11/17/65/220111765.db2.gz	DHARNUGPKYVBNQ-KRWDZBQOSA-N	-2	3	368.320	2.439	50	0		FEAAHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cc2)n1	ZINC000150850315	544479397	/nfs/dbraw/zinc/47/93/97/544479397.db2.gz	RQAKVKGBWCDPKY-HNNXBMFYSA-N	-2	3	363.439	2.056	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1	ZINC000033274064	539973383	/nfs/dbraw/zinc/97/33/83/539973383.db2.gz	KHHFFONFXRHVRC-CVEARBPZSA-N	-2	3	370.340	2.341	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000102819400	222308720	/nfs/dbraw/zinc/30/87/20/222308720.db2.gz	YCXXCRYZYOIVKX-HUUCEWRRSA-N	-2	3	358.304	2.471	50	0		FEAAHL
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccccc1OCC(=O)[O-])CC(=O)O2	ZINC000217918814	548683204	/nfs/dbraw/zinc/68/32/04/548683204.db2.gz	FKEPELUHAGLLLA-CYBMUJFWSA-N	-2	3	356.330	2.499	50	0		FEAAHL
NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1[O-]	ZINC000002849816	539354868	/nfs/dbraw/zinc/35/48/68/539354868.db2.gz	GMLZPGWZDYJMIQ-UHFFFAOYSA-N	-2	3	371.212	2.054	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc12	ZINC000002154383	219429642	/nfs/dbraw/zinc/42/96/42/219429642.db2.gz	YWEJLBIIFWLGOR-UHFFFAOYSA-N	-2	3	373.405	2.371	50	0	biogenic	FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc2c1OCCO2	ZINC000067124765	221247406	/nfs/dbraw/zinc/24/74/06/221247406.db2.gz	AXXUPRDSMGYVAJ-UHFFFAOYSA-N	-2	3	371.317	2.235	50	0		FEAAHL
Cc1ccc([O-])c(C(=O)N2CCc3c(nc(-c4ccncc4)[n-]c3=O)C2)c1	ZINC000071755474	221365619	/nfs/dbraw/zinc/36/56/19/221365619.db2.gz	QXCQWZURHFVMDG-UHFFFAOYSA-N	-2	3	362.389	2.044	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)ccc1F	ZINC000007054677	539447045	/nfs/dbraw/zinc/44/70/45/539447045.db2.gz	BJMJXDGZKDYRFF-UHFFFAOYSA-N	-2	3	367.354	2.486	50	0		FEAAHL
CCc1c([O-])nc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000010060474	539511636	/nfs/dbraw/zinc/51/16/36/539511636.db2.gz	NBDBFJAZLAOXAY-SNVBAGLBSA-N	-2	3	361.423	2.360	50	0		FEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCSCC2)c2ccc(F)cc21	ZINC000036353615	539989055	/nfs/dbraw/zinc/98/90/55/539989055.db2.gz	BIFFTAREHYIFSF-OAHLLOKOSA-N	-2	3	352.387	2.040	50	0		FEAAHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1	ZINC000013060415	220056368	/nfs/dbraw/zinc/05/63/68/220056368.db2.gz	LQVOXSSRVDGFJD-UHFFFAOYSA-N	-2	3	360.391	2.312	50	0		FEAAHL
CN1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1	ZINC000013198104	220061414	/nfs/dbraw/zinc/06/14/14/220061414.db2.gz	YWBIWIANQXLIET-UHFFFAOYSA-N	-2	3	367.254	2.064	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc2c1OCCO2	ZINC000057115558	221083673	/nfs/dbraw/zinc/08/36/73/221083673.db2.gz	LSTKUYMQNWJQMN-UHFFFAOYSA-N	-2	3	353.327	2.096	50	0		FEAAHL
CS(=O)(=O)[N-]c1ccc(-n2ccnc2-c2ccc(C(=O)[O-])s2)cn1	ZINC000067713542	221274705	/nfs/dbraw/zinc/27/47/05/221274705.db2.gz	KBMVXRIKEYRTSM-UHFFFAOYSA-N	-2	3	364.408	2.066	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1	ZINC000101277783	222267431	/nfs/dbraw/zinc/26/74/31/222267431.db2.gz	KHHFFONFXRHVRC-HOTGVXAUSA-N	-2	3	370.340	2.341	50	0		FEAAHL
COc1cccc(CNC(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)c1	ZINC000008490565	539487472	/nfs/dbraw/zinc/48/74/72/539487472.db2.gz	ITMNKQPRLULCQZ-UHFFFAOYSA-N	-2	3	369.373	2.380	50	0		FEAAHL
Cc1ccc(C(=O)N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)c([O-])c1	ZINC000091951131	542834093	/nfs/dbraw/zinc/83/40/93/542834093.db2.gz	QZLQBHAZNUXVJM-CQSZACIVSA-N	-2	3	374.437	2.019	50	0		FEAAHL
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1	ZINC000031665623	539914979	/nfs/dbraw/zinc/91/49/79/539914979.db2.gz	GWEDYKKIMVMOSG-UHFFFAOYSA-N	-2	3	364.379	2.158	50	0		FEAAHL
CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000003311599	219498912	/nfs/dbraw/zinc/49/89/12/219498912.db2.gz	PHIVQMNSQNDMDW-JTQLQIEISA-N	-2	3	358.268	2.478	50	0		FEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1F	ZINC000045947267	540235266	/nfs/dbraw/zinc/23/52/66/540235266.db2.gz	XBVBVEBYPTTXRY-UHFFFAOYSA-N	-2	3	355.343	2.342	50	0		FEAAHL
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc21	ZINC000013093427	220057681	/nfs/dbraw/zinc/05/76/81/220057681.db2.gz	LMDZHOCMRPWUFR-UHFFFAOYSA-N	-2	3	360.391	2.095	50	0		FEAAHL
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccc([O-])c(Cl)c1)CC2	ZINC000082091988	542683581	/nfs/dbraw/zinc/68/35/81/542683581.db2.gz	MDDSGDDGHSDOFQ-OAHLLOKOSA-N	-2	3	366.845	2.333	50	0		FEAAHL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-]	ZINC000024433034	539731640	/nfs/dbraw/zinc/73/16/40/539731640.db2.gz	BEJJHEUPDOGCRC-UHFFFAOYSA-N	-3	3	353.327	2.331	50	0		FEAAHL
O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000004523833	204143925	/nfs/dbraw/zinc/14/39/25/204143925.db2.gz	UYXFMZOYTZMHFC-UHFFFAOYSA-N	-2	3	366.370	2.430	50	0		FEAAHL
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCSCC2)c2ccc(F)cc21	ZINC000036358268	205012461	/nfs/dbraw/zinc/01/24/61/205012461.db2.gz	ICPYABLFROVPEI-INIZCTEOSA-N	-2	3	366.414	2.430	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(F)cc1F	ZINC000047317884	206079336	/nfs/dbraw/zinc/07/93/36/206079336.db2.gz	CZXODJUZAVDCEE-UHFFFAOYSA-N	-2	3	355.318	2.399	50	0		FEAAHL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([S@](C)=O)c1	ZINC000079097363	542499011	/nfs/dbraw/zinc/49/90/11/542499011.db2.gz	RWPDTQSNCWDRKT-JOCHJYFZSA-N	-2	3	353.421	2.231	50	0		FEAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)c1	ZINC000023125750	539706406	/nfs/dbraw/zinc/70/64/06/539706406.db2.gz	HKLDUTJAZFUCGE-JKSUJKDBSA-N	-2	3	352.350	2.202	50	0		FEAAHL
O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccc(Cl)cc2)n[n-]1	ZINC000072401106	541804997	/nfs/dbraw/zinc/80/49/97/541804997.db2.gz	RYRBZCXGMJFZKO-UHFFFAOYSA-N	-2	3	356.769	2.426	50	0		FEAAHL
Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)s1	ZINC000262405231	328863749	/nfs/dbraw/zinc/86/37/49/328863749.db2.gz	KPWGGMFVRSWORV-QMMMGPOBSA-N	-2	3	356.263	2.207	50	0		FEAAHL
CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC(O)C1	ZINC000223502016	548720518	/nfs/dbraw/zinc/72/05/18/548720518.db2.gz	HQWJODFCQGLSCK-WZQIAMPNSA-N	-2	3	365.810	2.005	50	0		FEAAHL
O=C(Nc1ncccc1[O-])c1ccc(C(=O)Nc2ncccc2[O-])cc1	ZINC000012736070	539572229	/nfs/dbraw/zinc/57/22/29/539572229.db2.gz	GMYZMRMTWVVZSM-UHFFFAOYSA-N	-2	3	350.334	2.392	50	0		FEAAHL
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccs1	ZINC000028167340	539826933	/nfs/dbraw/zinc/82/69/33/539826933.db2.gz	XNWPJHLXTIUNQA-CYBMUJFWSA-N	-2	3	350.421	2.204	50	0		FEAAHL
Cc1ccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c(F)c1	ZINC000057115947	205234972	/nfs/dbraw/zinc/23/49/72/205234972.db2.gz	LVAFHXQRQXHHOL-UHFFFAOYSA-N	-2	3	367.354	2.404	50	0		FEAAHL
Cc1cc([N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccn3)cs2)no1	ZINC000006681806	206204148	/nfs/dbraw/zinc/20/41/48/206204148.db2.gz	WSYDMZPVCZEZCN-UHFFFAOYSA-N	-2	3	364.408	2.493	50	0		FEAAHL
C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(Cc1cccc(C(=O)[O-])c1)CC2	ZINC000091858084	542829319	/nfs/dbraw/zinc/82/93/19/542829319.db2.gz	KAPXUWRBASESHG-AWEZNQCLSA-N	-2	3	374.437	2.063	50	0		FEAAHL
COCC1(C[N-]S(=O)(=O)c2cc(Cl)sc2C(=O)[O-])CCC1	ZINC000670451697	571352493	/nfs/dbraw/zinc/35/24/93/571352493.db2.gz	AZJJIAPASUKGKO-UHFFFAOYSA-N	-2	3	353.849	2.195	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000102819396	570839980	/nfs/dbraw/zinc/83/99/80/570839980.db2.gz	YCXXCRYZYOIVKX-GJZGRUSLSA-N	-2	3	358.304	2.471	50	0		FEAAHL
COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2[O-])cc1	ZINC000057118341	205234985	/nfs/dbraw/zinc/23/49/85/205234985.db2.gz	ROMFHTCRMZKVBT-UHFFFAOYSA-N	-2	3	351.380	2.053	50	0		FEAAHL
O=c1ccnc(SCc2ccccc2CSc2nccc(=O)[n-]2)[n-]1	ZINC000020495171	527484078	/nfs/dbraw/zinc/48/40/78/527484078.db2.gz	ZXGRXHKBSHOEEJ-UHFFFAOYSA-N	-2	3	358.448	2.438	50	0		FEAAHL
CCOC(=O)Cc1csc(NC(=O)c2c([O-])[n-]c3ccccc3c2=O)n1	ZINC000018038406	539645679	/nfs/dbraw/zinc/64/56/79/539645679.db2.gz	MNYHYYIRRXBEKB-UHFFFAOYSA-N	-2	3	373.390	2.048	50	0		FEAAHL
CCCCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C3CC3)o2)s1	ZINC000030570190	539885627	/nfs/dbraw/zinc/88/56/27/539885627.db2.gz	DYFGZZFVMYYANC-UHFFFAOYSA-N	-2	3	370.456	2.167	50	0		FEAAHL
Cc1cc([O-])ccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000220295197	206399185	/nfs/dbraw/zinc/39/91/85/206399185.db2.gz	SEWPDYCYVQGTSH-QZTJIDSGSA-N	-2	3	371.389	2.365	50	0		FEAAHL
Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c1	ZINC000091657207	542818909	/nfs/dbraw/zinc/81/89/09/542818909.db2.gz	JGLMTDHIUWLEJX-LSDHHAIUSA-N	-2	3	369.373	2.370	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(OC)c4)c=3c2=O)cc1	ZINC000101277710	543026687	/nfs/dbraw/zinc/02/66/87/543026687.db2.gz	BALCFQTUNZJSSZ-CVEARBPZSA-N	-2	3	352.350	2.202	50	0		FEAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2ccccc2)cc1	ZINC000004497832	204142313	/nfs/dbraw/zinc/14/23/13/204142313.db2.gz	FZAYPFZXPJUKPI-UHFFFAOYSA-N	-2	3	357.395	2.166	50	0		FEAAHL
Cc1c(CC(=O)NCCCc2ccco2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000008764267	206216962	/nfs/dbraw/zinc/21/69/62/206216962.db2.gz	LOGLQRPXNFTWAW-UHFFFAOYSA-N	-2	3	357.362	2.397	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)cc1OC	ZINC000102818925	570839822	/nfs/dbraw/zinc/83/98/22/570839822.db2.gz	RLVLZMDTZZSDQC-CVEARBPZSA-N	-2	3	352.350	2.202	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c([O-])c2)cc1OC	ZINC000012536199	539563461	/nfs/dbraw/zinc/56/34/61/539563461.db2.gz	PRTLNXAOIZINKG-UHFFFAOYSA-N	-2	3	366.395	2.169	50	0		FEAAHL
COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)[O-])cc1	ZINC000004148031	204124958	/nfs/dbraw/zinc/12/49/58/204124958.db2.gz	CXVNCQUZDOKIQM-UHFFFAOYSA-N	-2	3	367.379	2.211	50	0		FEAAHL
O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1c1cccc(F)c1	ZINC000091747089	542823713	/nfs/dbraw/zinc/82/37/13/542823713.db2.gz	IDLKTVINXJUFRO-UONOGXRCSA-N	-2	3	354.341	2.037	50	0		FEAAHL
Cc1nc(C2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)cc(=O)[n-]1	ZINC000095357219	542959580	/nfs/dbraw/zinc/95/95/80/542959580.db2.gz	RLSCPSWYIIEJAJ-UHFFFAOYSA-N	-2	3	361.829	2.386	50	0		FEAAHL
O=C([O-])c1cc(N[C@H]2C[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)ccn1	ZINC000253535477	549690585	/nfs/dbraw/zinc/69/05/85/549690585.db2.gz	URQKTIMRPBGQHV-BJHJDKERSA-N	-2	3	355.398	2.234	50	0		FEAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000001072091	539338320	/nfs/dbraw/zinc/33/83/20/539338320.db2.gz	HHVFQCSRFJEFKU-UHFFFAOYSA-N	-2	3	351.380	2.350	50	0		FEAAHL
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1	ZINC000024433215	539731620	/nfs/dbraw/zinc/73/16/20/539731620.db2.gz	UCUFOASTIRIHEM-UHFFFAOYSA-N	-2	3	367.354	2.486	50	0		FEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCSCC2)c2ccc(F)cc21	ZINC000036353613	208158105	/nfs/dbraw/zinc/15/81/05/208158105.db2.gz	BIFFTAREHYIFSF-HNNXBMFYSA-N	-2	3	352.387	2.040	50	0		FEAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1	ZINC000001142729	539338858	/nfs/dbraw/zinc/33/88/58/539338858.db2.gz	PAMZHYMHZVHDHC-UHFFFAOYSA-N	-2	3	370.452	2.258	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc12	ZINC000002103772	209394046	/nfs/dbraw/zinc/39/40/46/209394046.db2.gz	BMXGCWDTEDSBSJ-INIZCTEOSA-N	-2	3	361.394	2.273	50	0	biogenic	FEAAHL
COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(C(=O)[O-])c1OC	ZINC000045946771	209328484	/nfs/dbraw/zinc/32/84/84/209328484.db2.gz	PICDLQJUAHBHEZ-UHFFFAOYSA-N	-2	3	373.333	2.481	50	0		FEAAHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1	ZINC000001143688	539339062	/nfs/dbraw/zinc/33/90/62/539339062.db2.gz	NLXPADRSIKMGQR-UHFFFAOYSA-N	-2	3	354.453	2.476	50	0		FEAAHL
Cc1ccc(NC(=O)c2[n-]nnc2[N-]S(=O)(=O)c2ccccc2)cc1C	ZINC000004499989	539386468	/nfs/dbraw/zinc/38/64/68/539386468.db2.gz	BMCGXXMGBMFLPA-UHFFFAOYSA-N	-2	3	371.422	2.475	50	0		FEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1OC	ZINC000013362418	539586553	/nfs/dbraw/zinc/58/65/53/539586553.db2.gz	HVZASKOXWOUABA-UHFFFAOYSA-N	-2	3	355.343	2.342	50	0		FEAAHL
Cc1c([O-])ccc2c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc(=O)oc12	ZINC000002098978	209393098	/nfs/dbraw/zinc/39/30/98/209393098.db2.gz	NVUSCGNULWDBOO-GOSISDBHSA-N	-2	3	367.357	2.292	50	0	biogenic	FEAAHL
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)ccc1OCC(=O)[O-]	ZINC000058377422	540840960	/nfs/dbraw/zinc/84/09/60/540840960.db2.gz	NSHQDJGUQRWULY-UHFFFAOYSA-N	-2	3	363.391	2.194	50	0		FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)c1	ZINC000101277780	209223012	/nfs/dbraw/zinc/22/30/12/209223012.db2.gz	KHHFFONFXRHVRC-JKSUJKDBSA-N	-2	3	370.340	2.341	50	0		FEAAHL
Cc1ccc(S(=O)(=O)[N-]c2nn[n-]c2C(=O)Nc2cccc(C)c2)cc1	ZINC000004499983	207023062	/nfs/dbraw/zinc/02/30/62/207023062.db2.gz	PDZMFKSEMWZVSQ-UHFFFAOYSA-N	-2	3	371.422	2.475	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc12	ZINC000002098276	539344916	/nfs/dbraw/zinc/34/49/16/539344916.db2.gz	SZFVOYUIBASGIE-UHFFFAOYSA-N	-2	3	361.394	2.419	50	0	biogenic	FEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000101271017	209222747	/nfs/dbraw/zinc/22/27/47/209222747.db2.gz	JLKJBHYKUVVEPL-JKSUJKDBSA-N	-2	3	370.340	2.341	50	0		FEAAHL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1C(=O)[O-]	ZINC000078938835	542489052	/nfs/dbraw/zinc/48/90/52/542489052.db2.gz	JORXKXLKHQFXIY-UHFFFAOYSA-N	-3	3	365.363	2.206	50	0		FEAAHL
COc1ccc(C(=O)N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c([O-])c1	ZINC000095505516	209065891	/nfs/dbraw/zinc/06/58/91/209065891.db2.gz	HZLLORBWQNUVKT-FOIQADDNSA-N	-2	3	369.373	2.104	50	0		FEAAHL
Cc1cccc(N2C(=Nc3nc(C)cc(C)n3)[N-]C(=O)C[C@H]2C(=O)[O-])c1	ZINC000000814377	132378773	/nfs/dbraw/zinc/37/87/73/132378773.db2.gz	IXYANFXMUSNZCI-AWEZNQCLSA-N	-2	3	353.382	2.060	50	0		FEAAHL
Cc1cc(COc2ccccc2)oc1C(=O)NCCc1nc([O-])cc(=O)[n-]1	ZINC000222413585	548707831	/nfs/dbraw/zinc/70/78/31/548707831.db2.gz	MXIXTSVJMDSPQH-UHFFFAOYSA-N	-2	3	369.377	2.341	50	0		FEAAHL
O=C([N-]N1C(=O)c2ccccc2C1=O)c1cc(Br)ccc1[O-]	ZINC000000971385	539336185	/nfs/dbraw/zinc/33/61/85/539336185.db2.gz	HKQWBTLPCUGEIQ-UHFFFAOYSA-N	-2	3	361.151	2.096	50	0		FEAAHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c1C	ZINC000072306293	541798302	/nfs/dbraw/zinc/79/83/02/541798302.db2.gz	BTTCDCNFAWHIOI-UHFFFAOYSA-N	-2	3	366.370	2.040	50	0		FEAAHL
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2C[C@@H]1C	ZINC000011174921	207311668	/nfs/dbraw/zinc/31/16/68/207311668.db2.gz	UNZNZNMLQXOYKC-NSHDSACASA-N	-2	3	374.418	2.483	50	0		FEAAHL
O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(Br)c([O-])c1	ZINC000170610511	546165053	/nfs/dbraw/zinc/16/50/53/546165053.db2.gz	SACXLXQUGUNZMM-SNVBAGLBSA-N	-2	3	350.234	2.466	50	0		FEAAHL
CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000058402002	540841955	/nfs/dbraw/zinc/84/19/55/540841955.db2.gz	DPPYPBDCECGQPQ-UHFFFAOYSA-N	-2	3	362.407	2.477	50	0		FEAAHL
CCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1	ZINC000030568730	208002570	/nfs/dbraw/zinc/00/25/70/208002570.db2.gz	ABOFBFQZEGOKSJ-UHFFFAOYSA-N	-2	3	358.445	2.023	50	0		FEAAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c[nH]1	ZINC000032553896	208031610	/nfs/dbraw/zinc/03/16/10/208031610.db2.gz	SJFYALLNFANFOT-UHFFFAOYSA-N	-2	3	359.363	2.069	50	0		FEAAHL
CSCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000003327428	539363863	/nfs/dbraw/zinc/36/38/63/539363863.db2.gz	DNWPAUWVUOSNBE-VIFPVBQESA-N	-2	3	358.268	2.478	50	0		FEAAHL
O=c1ccnc(SCc2ccc(CSc3nccc(=O)[n-]3)cc2)[n-]1	ZINC000012556124	539565836	/nfs/dbraw/zinc/56/58/36/539565836.db2.gz	PZDOAEUCTFRXDT-UHFFFAOYSA-N	-2	3	358.448	2.438	50	0		FEAAHL
CCCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2cccs2)[n-]c1=O	ZINC000013407813	539586725	/nfs/dbraw/zinc/58/67/25/539586725.db2.gz	BDPFHXAHHVASHQ-UHFFFAOYSA-N	-2	3	370.456	2.405	50	0		FEAAHL
Cc1cccc([N-]S(=O)(=O)c2nnc([N-]C(=O)c3ccco3)s2)c1	ZINC000015674465	539621638	/nfs/dbraw/zinc/62/16/38/539621638.db2.gz	IEHVEFVOJFYLJG-UHFFFAOYSA-N	-2	3	364.408	2.493	50	0		FEAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)c1	ZINC000057119427	540769023	/nfs/dbraw/zinc/76/90/23/540769023.db2.gz	DRUURDKSWVNJKY-UHFFFAOYSA-N	-2	3	362.407	2.454	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc2c1OCCO2	ZINC000057115810	540769312	/nfs/dbraw/zinc/76/93/12/540769312.db2.gz	QXTOAJHJHVXFTB-UHFFFAOYSA-N	-2	3	371.317	2.235	50	0		FEAAHL
COc1cc(OC)cc(-n2c(=O)c3[n-][n-]n(-c4ccccc4)c=3c2=O)c1	ZINC000101260812	209222662	/nfs/dbraw/zinc/22/26/62/209222662.db2.gz	HKLDUTJAZFUCGE-CVEARBPZSA-N	-2	3	352.350	2.202	50	0		FEAAHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000021631754	539685989	/nfs/dbraw/zinc/68/59/89/539685989.db2.gz	KUIMKVRGZCBWQC-UHFFFAOYSA-N	-2	3	360.391	2.312	50	0		FEAAHL
COc1ccc(-n2c(=O)c3[n-][n-]n(-c4cccc(OC)c4)c=3c2=O)cc1	ZINC000101277706	209223390	/nfs/dbraw/zinc/22/33/90/209223390.db2.gz	BALCFQTUNZJSSZ-HOTGVXAUSA-N	-2	3	352.350	2.202	50	0		FEAAHL
Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2	ZINC000023074862	207832824	/nfs/dbraw/zinc/83/28/24/207832824.db2.gz	UKCVUFAIXOPTBL-UHFFFAOYSA-N	-2	3	367.354	2.404	50	0		FEAAHL
Cc1nn2c([n-]1)nc(CN1CCC[C@H](c3ccc(C(=O)[O-])cc3)C1)cc2=O	ZINC000095376900	209038488	/nfs/dbraw/zinc/03/84/88/209038488.db2.gz	LMNIJAISSDBZPA-HNNXBMFYSA-N	-2	3	367.409	2.216	50	0		FEAAHL
CSCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-]	ZINC000003327429	539363723	/nfs/dbraw/zinc/36/37/23/539363723.db2.gz	DNWPAUWVUOSNBE-SECBINFHSA-N	-2	3	358.268	2.478	50	0		FEAAHL
CC(C)Cn1c(=O)c(C(=O)Nc2ncccc2[O-])c([O-])c2c1CCCC2	ZINC000004093313	539376719	/nfs/dbraw/zinc/37/67/19/539376719.db2.gz	VGBMNVSPBFTZDF-UHFFFAOYSA-N	-2	3	357.410	2.442	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000033114700	539968921	/nfs/dbraw/zinc/96/89/21/539968921.db2.gz	YCXXCRYZYOIVKX-CABCVRRESA-N	-2	3	358.304	2.471	50	0		FEAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(OC)c1OC	ZINC000019930628	211261772	/nfs/dbraw/zinc/26/17/72/211261772.db2.gz	YMFBNQUFGILFPZ-UHFFFAOYSA-N	-2	3	374.397	2.367	50	0		FEAAHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1	ZINC000012525845	132373452	/nfs/dbraw/zinc/37/34/52/132373452.db2.gz	XXINZLMKKUYKPZ-UHFFFAOYSA-N	-2	3	362.407	2.022	50	0		FEAAHL
CCc1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)[n-]c1=O	ZINC000004093733	539376683	/nfs/dbraw/zinc/37/66/83/539376683.db2.gz	JPNGUJNPFXFWDV-UHFFFAOYSA-N	-2	3	362.436	2.007	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)cc2c1OCCO2	ZINC000057115678	540769332	/nfs/dbraw/zinc/76/93/32/540769332.db2.gz	KCBRUUYWWCRRJE-UHFFFAOYSA-N	-2	3	353.327	2.096	50	0		FEAAHL
Cc1cc2nc(CN3CC[C@@H](Cc4ccc(C(=O)[O-])cc4)C3)cc(=O)n2[n-]1	ZINC000102863805	543083814	/nfs/dbraw/zinc/08/38/14/543083814.db2.gz	HADOQIHKDIGZPU-HNNXBMFYSA-N	-2	3	366.421	2.094	50	0		FEAAHL
Cc1ccccc1[N-]S(=O)(=O)c1nnc([N-]C(=O)c2ccco2)s1	ZINC000006778373	539437359	/nfs/dbraw/zinc/43/73/59/539437359.db2.gz	URYYOSNEOSRLRF-UHFFFAOYSA-N	-2	3	364.408	2.493	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCC2)c(Br)o1	ZINC000055312858	210068152	/nfs/dbraw/zinc/06/81/52/210068152.db2.gz	MQRZCODPUTVHBO-UHFFFAOYSA-N	-2	3	352.206	2.351	50	0		FEAAHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000024433409	539731108	/nfs/dbraw/zinc/73/11/08/539731108.db2.gz	UXDARHFEYMWKRC-UHFFFAOYSA-N	-3	3	353.327	2.331	50	0		FEAAHL
Cc1c(C(=O)[O-])sc2ncnc(N3CCC[C@H](c4cc(=O)[n-]cn4)C3)c12	ZINC000067772622	221282668	/nfs/dbraw/zinc/28/26/68/221282668.db2.gz	OBHLSYKQGOJALL-JTQLQIEISA-N	-2	3	371.422	2.165	50	0		FEAAHL
O=C([O-])Cc1cc(C2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)n[nH]1	ZINC000067773012	221284400	/nfs/dbraw/zinc/28/44/00/221284400.db2.gz	NNAABKSVFBACCW-UHFFFAOYSA-N	-2	3	363.801	2.416	50	0		FEAAHL
Cc1cc2nc(CN3CC[C@H](Cc4ccc(C(=O)[O-])cc4)C3)cc(=O)n2[n-]1	ZINC000102863803	543083512	/nfs/dbraw/zinc/08/35/12/543083512.db2.gz	HADOQIHKDIGZPU-OAHLLOKOSA-N	-2	3	366.421	2.094	50	0		FEAAHL
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096116735	222032682	/nfs/dbraw/zinc/03/26/82/222032682.db2.gz	SLZNMBKRXFMOLK-NSHDSACASA-N	-2	3	374.780	2.454	50	0		FEAAHL
CCOC(=O)c1sc2[n-]c(CSCCC(=O)[O-])nc(=O)c2c1C	ZINC000003355864	539363763	/nfs/dbraw/zinc/36/37/63/539363763.db2.gz	SBIMPOJDWIZPDA-UHFFFAOYSA-N	-2	3	356.425	2.178	50	0		FEAAHL
CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000011865452	539537109	/nfs/dbraw/zinc/53/71/09/539537109.db2.gz	PYBJBBDDKVNUQD-XXFAHNHDSA-N	-2	3	361.394	2.273	50	0		FEAAHL
Cc1cc(=O)[n-]c(Cc2cc(C)c(Cc3nc(C)cc(=O)[n-]3)cc2C)n1	ZINC000018176726	539647441	/nfs/dbraw/zinc/64/74/41/539647441.db2.gz	ZJLBJTZTUWEWIS-UHFFFAOYSA-N	-2	3	350.422	2.268	50	0		FEAAHL
O=C(Nc1ncccc1[O-])[C@@H]1CCC[C@H](C(=O)Nc2ncccc2[O-])C1	ZINC000058401969	212007800	/nfs/dbraw/zinc/00/78/00/212007800.db2.gz	IKKHAYJDLDGKNA-TXEJJXNPSA-N	-2	3	356.382	2.271	50	0		FEAAHL
O=C([O-])[C@@]12CN(C(=O)Cc3ccc([O-])c(F)c3)C[C@@H]1c1ccccc1OC2	ZINC000095374959	542963704	/nfs/dbraw/zinc/96/37/04/542963704.db2.gz	DAFNIMGADHFYPJ-JLTOFOAXSA-N	-2	3	371.364	2.163	50	0		FEAAHL
CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c[n-]1	ZINC000170617389	546166099	/nfs/dbraw/zinc/16/60/99/546166099.db2.gz	GTACUMLOFXFONM-UHFFFAOYSA-N	-2	3	353.400	2.174	50	0		FEAAHL
CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)[n-]1	ZINC000170617389	546166104	/nfs/dbraw/zinc/16/61/04/546166104.db2.gz	GTACUMLOFXFONM-UHFFFAOYSA-N	-2	3	353.400	2.174	50	0		FEAAHL
Cc1ccc(NC(=O)c2[n-]nnc2[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000004476300	539384237	/nfs/dbraw/zinc/38/42/37/539384237.db2.gz	ALIFVKXJGRPYPZ-UHFFFAOYSA-N	-2	3	357.395	2.166	50	0		FEAAHL
CCCc1nn2c([n-]1)nc(C)c([N-]S(=O)(=O)Cc1ccccc1)c2=O	ZINC000009560728	539504780	/nfs/dbraw/zinc/50/47/80/539504780.db2.gz	ZWFPDXUUZWPLQJ-UHFFFAOYSA-N	-2	3	361.427	2.033	50	0		FEAAHL
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)c1C	ZINC000012414930	539558127	/nfs/dbraw/zinc/55/81/27/539558127.db2.gz	FYBLCRSOQXZKQU-UHFFFAOYSA-N	-2	3	365.436	2.056	50	0		FEAAHL
CCn1c(CCNC(=O)c2cc(Br)ccc2[O-])n[n-]c1=S	ZINC000083836916	542705520	/nfs/dbraw/zinc/70/55/20/542705520.db2.gz	CFBJMCTYDVASOZ-UHFFFAOYSA-N	-2	3	371.260	2.401	50	0		FEAAHL
CCn1c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)[n-]c1=S	ZINC000002145000	539345952	/nfs/dbraw/zinc/34/59/52/539345952.db2.gz	IQROFDNPECNEHP-NSHDSACASA-N	-2	3	364.379	2.321	50	0	biogenic	FEAAHL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)sc3c2)cc1	ZINC000003656740	539373238	/nfs/dbraw/zinc/37/32/38/539373238.db2.gz	CYGWMAXTGWIDCX-UHFFFAOYSA-N	-2	3	351.361	2.354	50	0		FEAAHL
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1	ZINC000024989660	539746074	/nfs/dbraw/zinc/74/60/74/539746074.db2.gz	BHSIIAWCDVWRDT-UHFFFAOYSA-N	-2	3	364.354	2.209	50	0		FEAAHL
COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1	ZINC000091997786	542835662	/nfs/dbraw/zinc/83/56/62/542835662.db2.gz	LPWUNYCDYMGVPQ-SFHVURJKSA-N	-2	3	353.390	2.194	50	0		FEAAHL
Cc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)c1	ZINC000058365299	136131617	/nfs/dbraw/zinc/13/16/17/136131617.db2.gz	LRSRSFYHLMBQBM-UHFFFAOYSA-N	-2	3	366.414	2.477	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1OC	ZINC000102818208	222309162	/nfs/dbraw/zinc/30/91/62/222309162.db2.gz	LDLLUNIFANAXMZ-HOTGVXAUSA-N	-2	3	370.340	2.341	50	0		FEAAHL
O=C([O-])c1ccccc1NC(=O)C(=S)[N-]CCc1ccc2c(c1)OCO2	ZINC000020494766	526396622	/nfs/dbraw/zinc/39/66/22/526396622.db2.gz	KFICAVTYPUIJLA-UHFFFAOYSA-N	-2	3	372.402	2.212	50	0		FEAAHL
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c([O-])nc2ccccn2c1=O	ZINC000205980352	570555197	/nfs/dbraw/zinc/55/51/97/570555197.db2.gz	SZKNPSCQXZTILC-LLVKDONJSA-N	-2	3	374.780	2.454	50	0		FEAAHL
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205980352	570555199	/nfs/dbraw/zinc/55/51/99/570555199.db2.gz	SZKNPSCQXZTILC-LLVKDONJSA-N	-2	3	374.780	2.454	50	0		FEAAHL
CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	ZINC000003311600	539362594	/nfs/dbraw/zinc/36/25/94/539362594.db2.gz	PHIVQMNSQNDMDW-SNVBAGLBSA-N	-2	3	358.268	2.478	50	0		FEAAHL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([S@@](C)=O)c1	ZINC000079097365	542499286	/nfs/dbraw/zinc/49/92/86/542499286.db2.gz	RWPDTQSNCWDRKT-QFIPXVFZSA-N	-2	3	353.421	2.231	50	0		FEAAHL
O=C([O-])c1nccnc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1	ZINC000071284632	221339395	/nfs/dbraw/zinc/33/93/95/221339395.db2.gz	AWFMNOHKPQSXHX-UHFFFAOYSA-N	-2	3	359.342	2.009	50	0		FEAAHL
COCCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1	ZINC000083911815	542705252	/nfs/dbraw/zinc/70/52/52/542705252.db2.gz	MAWIPMGKNJUOMD-UHFFFAOYSA-N	-2	3	369.370	2.350	50	0		FEAAHL
Cc1cccc(N2C(=Nc3nc(C)cc(C)n3)[N-]C(=O)C[C@@H]2C(=O)[O-])c1	ZINC000000814376	132378748	/nfs/dbraw/zinc/37/87/48/132378748.db2.gz	IXYANFXMUSNZCI-CQSZACIVSA-N	-2	3	353.382	2.060	50	0		FEAAHL
C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(Cc1cccc(C(=O)[O-])c1)CC2	ZINC000091858086	542829421	/nfs/dbraw/zinc/82/94/21/542829421.db2.gz	KAPXUWRBASESHG-CQSZACIVSA-N	-2	3	374.437	2.063	50	0		FEAAHL
Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(=O)[n-]1	ZINC000095368402	542961592	/nfs/dbraw/zinc/96/15/92/542961592.db2.gz	TXQRKVPMXCYQHE-MRXNPFEDSA-N	-2	3	369.421	2.034	50	0		FEAAHL
Cc1nn2c([n-]1)nc(CN1CCC[C@@H](c3ccc(C(=O)[O-])cc3)C1)cc2=O	ZINC000095376901	542964716	/nfs/dbraw/zinc/96/47/16/542964716.db2.gz	LMNIJAISSDBZPA-OAHLLOKOSA-N	-2	3	367.409	2.216	50	0		FEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccccc1	ZINC000101765751	222283171	/nfs/dbraw/zinc/28/31/71/222283171.db2.gz	KIEQPCLOGITGMH-GFCCVEGCSA-N	-2	3	358.423	2.236	50	0		FEAAHL
CCCC[C@H](NC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002152964	539345415	/nfs/dbraw/zinc/34/54/15/539345415.db2.gz	LELAZSWZMLVOQI-AWEZNQCLSA-N	-2	3	361.394	2.418	50	0	biogenic	FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCCC2)c(Cl)cc1Cl	ZINC000013311590	539586008	/nfs/dbraw/zinc/58/60/08/539586008.db2.gz	OUKCLSGVPLPIDD-UHFFFAOYSA-N	-2	3	367.254	2.066	50	0		FEAAHL
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccs1	ZINC000028167346	539826736	/nfs/dbraw/zinc/82/67/36/539826736.db2.gz	XNWPJHLXTIUNQA-ZDUSSCGKSA-N	-2	3	350.421	2.204	50	0		FEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c[nH]1	ZINC000034940599	539978629	/nfs/dbraw/zinc/97/86/29/539978629.db2.gz	IHYISMBHXSYBBE-UHFFFAOYSA-N	-2	3	363.164	2.415	50	0		FEAAHL
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c([O-])nc2ccccn2c1=O	ZINC000205980337	570555235	/nfs/dbraw/zinc/55/52/35/570555235.db2.gz	SZKNPSCQXZTILC-NSHDSACASA-N	-2	3	374.780	2.454	50	0		FEAAHL
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205980337	570555240	/nfs/dbraw/zinc/55/52/40/570555240.db2.gz	SZKNPSCQXZTILC-NSHDSACASA-N	-2	3	374.780	2.454	50	0		FEAAHL
CCN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)[O-]	ZINC000670435487	571346583	/nfs/dbraw/zinc/34/65/83/571346583.db2.gz	YZSOGGQJIAZFPN-VIFPVBQESA-N	-2	3	366.892	2.252	50	0		FEAAHL
COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)[O-])c1OC	ZINC000003209303	539361057	/nfs/dbraw/zinc/36/10/57/539361057.db2.gz	UGWBWWQLGYGIJU-UHFFFAOYSA-N	-2	3	355.343	2.342	50	0		FEAAHL
COCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1	ZINC000026538978	539788846	/nfs/dbraw/zinc/78/88/46/539788846.db2.gz	VOIGNROULQOJOB-UHFFFAOYSA-N	-2	3	369.370	2.350	50	0		FEAAHL
O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1	ZINC000058391600	540841408	/nfs/dbraw/zinc/84/14/08/540841408.db2.gz	HRMIAJHFUAYZON-UHFFFAOYSA-N	-2	3	360.797	2.349	50	0		FEAAHL
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1	ZINC000012735391	220022030	/nfs/dbraw/zinc/02/20/30/220022030.db2.gz	AIPBQCPCUVRLCW-UHFFFAOYSA-N	-2	3	353.327	2.111	50	0		FEAAHL
O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)c2[n-]c(=O)nc3ccccc32)C1	ZINC000091707358	542821490	/nfs/dbraw/zinc/82/14/90/542821490.db2.gz	IOQOPMAKYROZJO-IBGZPJMESA-N	-2	3	355.394	2.443	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1OC	ZINC000033114663	539968989	/nfs/dbraw/zinc/96/89/89/539968989.db2.gz	LDLLUNIFANAXMZ-HZPDHXFCSA-N	-2	3	370.340	2.341	50	0		FEAAHL
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2ccccc2-c2nnn[n-]2)C1	ZINC000072146915	541787981	/nfs/dbraw/zinc/78/79/81/541787981.db2.gz	GDHKGJJWEQVQKY-LBPRGKRZSA-N	-2	3	363.377	2.195	50	0		FEAAHL
O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2ccccc2-c2nn[n-]n2)C1	ZINC000072146915	541787986	/nfs/dbraw/zinc/78/79/86/541787986.db2.gz	GDHKGJJWEQVQKY-LBPRGKRZSA-N	-2	3	363.377	2.195	50	0		FEAAHL
O=C([N-]c1nnc([S-])s1)c1cc2c(nc3ccccn3c2=O)s1	ZINC000015441471	220154717	/nfs/dbraw/zinc/15/47/17/220154717.db2.gz	MNUVEMRPFGPLDT-UHFFFAOYSA-N	-2	3	361.433	2.302	50	0		FEAAHL
CCC[C@H](NC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O)C(=O)[O-]	ZINC000002154823	539345395	/nfs/dbraw/zinc/34/53/95/539345395.db2.gz	RVKHMPRQGMIINT-AWEZNQCLSA-N	-2	3	361.394	2.418	50	0	biogenic	FEAAHL
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000001076277	219365414	/nfs/dbraw/zinc/36/54/14/219365414.db2.gz	BZKLYQUGIGVHPV-UHFFFAOYSA-N	-2	3	351.380	2.350	50	0		FEAAHL
Cc1c([O-])c(C=O)c2c(c1[O-])C(=O)[C@H](Cc1ccc3c(c1)OCO3)CO2	ZINC000014757601	220131619	/nfs/dbraw/zinc/13/16/19/220131619.db2.gz	AQUXTCZWTTUERG-LLVKDONJSA-N	-2	3	356.330	2.381	50	0	biogenic,in-vitro	FEAAHL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000057116252	221084090	/nfs/dbraw/zinc/08/40/90/221084090.db2.gz	MYMWIUCLXXQPIZ-UHFFFAOYSA-N	-2	3	367.354	2.404	50	0		FEAAHL
CS(=O)(=O)[N-]c1cc2ncn(CCc3ccccc3)c2c(C(=O)[O-])c1	ZINC000299767420	533417712	/nfs/dbraw/zinc/41/77/12/533417712.db2.gz	RKUUSJODSSBQOS-UHFFFAOYSA-N	-2	3	359.407	2.349	50	0		FEAAHL
Cc1c([O-])ccc2c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)cc(=O)oc12	ZINC000217453173	525879608	/nfs/dbraw/zinc/87/96/08/525879608.db2.gz	AAGZXUAWWBZQIW-JOCQHMNTSA-N	-2	3	373.405	2.357	50	0		FEAAHL
O=C(Nc1ncccc1[O-])[C@H]1CCC[C@H](C(=O)Nc2ncccc2[O-])C1	ZINC000058401971	540841891	/nfs/dbraw/zinc/84/18/91/540841891.db2.gz	IKKHAYJDLDGKNA-RYUDHWBXSA-N	-2	3	356.382	2.271	50	0		FEAAHL
COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000012918813	220042835	/nfs/dbraw/zinc/04/28/35/220042835.db2.gz	MSJINNRMFFKYLL-UHFFFAOYSA-N	-2	3	353.327	2.111	50	0		FEAAHL
Cc1ccc(N2C(=Nc3nc(C)cc(C)n3)[N-]C(=O)C[C@H]2C(=O)[O-])cc1	ZINC000000814384	132378722	/nfs/dbraw/zinc/37/87/22/132378722.db2.gz	PSRCUSDEKWVQGK-AWEZNQCLSA-N	-2	3	353.382	2.060	50	0		FEAAHL
COc1cccc([C@@H]([N-]S(=O)(=O)c2cnc(C3CC3)s2)C(=O)[O-])c1	ZINC000585098025	571320451	/nfs/dbraw/zinc/32/04/51/571320451.db2.gz	GZAWCGRDDSTJDR-CYBMUJFWSA-N	-2	3	368.436	2.133	50	0		FEAAHL
Cc1c([O-])ccc2c(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc12	ZINC000011867569	539537142	/nfs/dbraw/zinc/53/71/42/539537142.db2.gz	NFRAFQYOBWWQRI-CQSZACIVSA-N	-2	3	361.394	2.273	50	0		FEAAHL
CCCCc1c(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[n-]c1=O	ZINC000013407907	220067019	/nfs/dbraw/zinc/06/70/19/220067019.db2.gz	RPSWICHQELXSNF-UHFFFAOYSA-N	-2	3	364.427	2.344	50	0		FEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(F)cc1F	ZINC000047383439	220993040	/nfs/dbraw/zinc/99/30/40/220993040.db2.gz	ARKRKNJHGTUBLE-UHFFFAOYSA-N	-2	3	371.317	2.235	50	0		FEAAHL
Cc1c(C(=O)[O-])sc2ncnc(N3CCC[C@@H](c4cc(=O)[n-]cn4)C3)c12	ZINC000067772625	221283278	/nfs/dbraw/zinc/28/32/78/221283278.db2.gz	OBHLSYKQGOJALL-SNVBAGLBSA-N	-2	3	371.422	2.165	50	0		FEAAHL
COc1cccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1	ZINC000102819402	222309360	/nfs/dbraw/zinc/30/93/60/222309360.db2.gz	RQUWZMSNRXOFHW-LSDHHAIUSA-N	-2	3	358.304	2.471	50	0		FEAAHL
Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)C[C@H]3CCCCO3)cc2)n1	ZINC000150850338	544479352	/nfs/dbraw/zinc/47/93/52/544479352.db2.gz	RQAKVKGBWCDPKY-OAHLLOKOSA-N	-2	3	363.439	2.056	50	0		FEAAHL
Cc1c(CC(=O)NCCc2ccccc2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000006623919	539431708	/nfs/dbraw/zinc/43/17/08/539431708.db2.gz	CJFIPVBLJOWHEY-UHFFFAOYSA-N	-2	3	353.374	2.414	50	0		FEAAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000025501499	539761200	/nfs/dbraw/zinc/76/12/00/539761200.db2.gz	VOEKYBDELNBZOH-ZDUSSCGKSA-N	-2	3	374.418	2.233	50	0		FEAAHL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2C	ZINC000014097382	220105989	/nfs/dbraw/zinc/10/59/89/220105989.db2.gz	QRGWARFCGCDZPI-UHFFFAOYSA-N	-2	3	360.391	2.013	50	0		FEAAHL
Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)ccc1[O-]	ZINC000091713695	542821459	/nfs/dbraw/zinc/82/14/59/542821459.db2.gz	IXFRCSQWELKNAC-AWEZNQCLSA-N	-2	3	374.437	2.019	50	0		FEAAHL
O=C([N-]c1nccs1)c1ccc(S(=O)(=O)[N-]c2cccnc2)o1	ZINC000035597491	539983398	/nfs/dbraw/zinc/98/33/98/539983398.db2.gz	HJZZACYYIRMRSF-UHFFFAOYSA-N	-2	3	350.381	2.184	50	0		FEAAHL
COc1ccc(-n2[n-][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1OC	ZINC000102818212	222309022	/nfs/dbraw/zinc/30/90/22/222309022.db2.gz	LDLLUNIFANAXMZ-CVEARBPZSA-N	-2	3	370.340	2.341	50	0		FEAAHL