smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)[n-]c(N=NC2CCCC[C@H]2C)n1	ZINC000017352422	342923987	/nfs/dbraw/zinc/92/39/87/342923987.db2.gz	ARUSYOXABALNOD-RFEBYODDSA-N	-1	0	234.303	2.056	40	30		BEEBRM
CC(C)C[C@@H](/N=C/c1ccccc1O)C(=O)[O-]	ZINC000022063007	187253921	/nfs/dbraw/zinc/25/39/21/187253921.db2.gz	HATBSGBCPLJYAR-GYBQTFJISA-N	-1	0	235.283	2.310	40	30		BEEBRM
CC(C)=CC([O-])=C1C(=O)c2ccccc2C1=O	ZINC000100220095	191062324	/nfs/dbraw/zinc/06/23/24/191062324.db2.gz	KWVMEUYISWAZHM-UHFFFAOYSA-N	-1	0	228.247	2.217	40	30		BEEBRM
CC(=O)C(=C(C)[O-])C(=O)c1ccccc1[N+](=O)[O-]	ZINC000100988216	188322483	/nfs/dbraw/zinc/32/24/83/188322483.db2.gz	ALSJYPITBGYBJZ-YRNVUSSQSA-N	-1	0	249.222	2.199	40	30		BEEBRM
N#Cc1ccc(-n2[n-]c(C(F)F)cc2=O)cc1	ZINC000110768394	188326071	/nfs/dbraw/zinc/32/60/71/188326071.db2.gz	FCWVWROSUKIHMM-UHFFFAOYSA-N	-1	0	235.193	2.387	40	30		BEEBRM
CCOc1cc(/C=C/C(=O)[O-])ccc1OCC#N	ZINC000005953485	353561622	/nfs/dbraw/zinc/56/16/22/353561622.db2.gz	GXTJANOXXBNJOK-GQCTYLIASA-N	-1	0	247.250	2.085	40	30		BEEBRM
N#Cc1cncc(Oc2cccc(C(=O)[O-])c2)c1	ZINC000685937279	538759270	/nfs/dbraw/zinc/75/92/70/538759270.db2.gz	GDJFMHYOXDJLKF-UHFFFAOYSA-N	-1	0	240.218	2.444	40	30		BEEBRM
N#Cc1cncc(Oc2ccccc2C(=O)[O-])c1	ZINC000685937588	538763707	/nfs/dbraw/zinc/76/37/07/538763707.db2.gz	KTLLWHOPTHKDRQ-UHFFFAOYSA-N	-1	0	240.218	2.444	40	30		BEEBRM
N#Cc1cncc(Oc2ccc(C(=O)[O-])cc2)c1	ZINC000685937836	538763912	/nfs/dbraw/zinc/76/39/12/538763912.db2.gz	VPZUNSYFOLPSHM-UHFFFAOYSA-N	-1	0	240.218	2.444	40	30		BEEBRM
C[C@]12CC[C@H](C/C1=N\O)[C@]2(C)CC(=O)[O-]	ZINC000109561037	369495954	/nfs/dbraw/zinc/49/59/54/369495954.db2.gz	LHDRQQPBWHWFTJ-HPUNUMNHSA-N	-1	0	211.261	2.118	40	30		BEEBRM
CS[C@@H](C)C([O-])=C1C(=O)c2ccccc2C1=O	ZINC000002692938	371632854	/nfs/dbraw/zinc/63/28/54/371632854.db2.gz	WCXLLQDNYXOHJW-ZETCQYMHSA-N	-1	0	248.303	2.473	40	30		BEEBRM
O/N=C(\c1ccccc1)c1cc(O)ccc1O	ZINC000005946170	384138408	/nfs/dbraw/zinc/13/84/08/384138408.db2.gz	JWGKUAYCNSMLSH-BUHFOSPRSA-N	-1	0	229.235	2.324	40	30		BEEBRM
O=[N+]([O-])c1ccc(N2CCCC2)c(/C=N\[O-])c1	ZINC000102813416	384655515	/nfs/dbraw/zinc/65/55/15/384655515.db2.gz	KKVXIANZVGHDGZ-WQLSENKSSA-N	-1	0	235.243	2.003	40	30		BEEBRM
C=CCOc1c(OCC)cccc1C(=O)[O-]	ZINC000225281195	384829406	/nfs/dbraw/zinc/82/94/06/384829406.db2.gz	REESUVWAPSSYQP-UHFFFAOYSA-N	-1	0	222.240	2.348	40	30		BEEBRM
Cc1sc(C#CC(=O)[O-])cc1Br	ZINC000085396968	385162058	/nfs/dbraw/zinc/16/20/58/385162058.db2.gz	HDLIWTQEIKGHPO-UHFFFAOYSA-N	-1	0	245.097	2.255	40	30		BEEBRM
O=[N+]([O-])c1cc(/C=N/c2cccnc2)ccc1[O-]	ZINC000408965200	385413183	/nfs/dbraw/zinc/41/31/83/385413183.db2.gz	UOCRGPZLAJZBQA-VGOFMYFVSA-N	-1	0	243.222	2.446	40	30		BEEBRM
O=C([O-])CCCCCCCCC#CC#CCO	ZINC000001609148	386644888	/nfs/dbraw/zinc/64/48/88/386644888.db2.gz	SKGNQFXLMWJORI-UHFFFAOYSA-N	-1	0	236.311	2.191	40	30		BEEBRM
O=C(/C(=N/[O-])c1ccccc1)N1CCCCCC1	ZINC000102919800	387358581	/nfs/dbraw/zinc/35/85/81/387358581.db2.gz	DKINJABLXBFHNW-FYWRMAATSA-N	-1	0	246.310	2.268	40	30		BEEBRM
O=C1c2ccccc2C(=N[O-])c2ccccc21	ZINC000001561700	387455781	/nfs/dbraw/zinc/45/57/81/387455781.db2.gz	TWXOQHRHGLZKFY-UHFFFAOYSA-N	-1	0	223.231	2.458	40	30		BEEBRM
COc1cc(OC)c(/C(Cl)=N/[O-])c(OC)c1	ZINC000211527015	134239995	/nfs/dbraw/zinc/23/99/95/134239995.db2.gz	WJFOGWONOCLQBD-BENRWUELSA-N	-1	0	245.662	2.087	40	30		BEEBRM
Cc1c(C(=O)[O-])oc2c1/C(=N/O)CC(C)(C)C2	ZINC000101473168	1166613324	/nfs/dbraw/zinc/61/33/24/1166613324.db2.gz	PAZUVWJISNOXFV-NTUHNPAUSA-N	-1	0	237.255	2.437	40	30		BEEBRM
CCCN1C(=O)/C(=N\[O-])c2c1cccc2Cl	ZINC000046085028	1171475059	/nfs/dbraw/zinc/47/50/59/1171475059.db2.gz	BUADYYSGZACTMK-RAXLEYEMSA-N	-1	0	238.674	2.275	40	30		BEEBRM
C[Si](C)(C)C[Si](C)(C)C#CC(=O)[O-]	ZINC000199702369	398201808	/nfs/dbraw/zinc/20/18/08/398201808.db2.gz	UKWVOQZXKLWGMO-UHFFFAOYSA-N	-1	0	214.413	2.199	40	30		BEEBRM
Cc1ccc(C(=O)CC(=O)C(=O)[O-])cc1C	ZINC000100487013	178368966	/nfs/dbraw/zinc/36/89/66/178368966.db2.gz	XBZLXYPKYVRZHW-WDZFZDKYSA-N	-1	0	220.224	2.013	40	30		BEEBRM
O=C([O-])c1ccc(/C=N/N=C\c2ccco2)cc1	ZINC000008637382	342801370	/nfs/dbraw/zinc/80/13/70/342801370.db2.gz	JBSXGDWEDYXFMP-YVKOIJOCSA-N	-1	0	242.234	2.431	40	30		BEEBRM
N#CC(C#N)=C([O-])c1ccc(Cl)cc1	ZINC000034514393	343273874	/nfs/dbraw/zinc/27/38/74/343273874.db2.gz	JBZXWNWJIIYHGY-UHFFFAOYSA-N	-1	0	204.616	2.186	40	30		BEEBRM
Cc1cc(Br)c([O-])c(C#N)c1	ZINC000036532624	343320026	/nfs/dbraw/zinc/32/00/26/343320026.db2.gz	WCFVTWNNEIQJBM-UHFFFAOYSA-N	-1	0	212.046	2.335	40	30		BEEBRM
Cc1cc(C)c(C[C@H](C#N)C(=O)[O-])c(C)c1	ZINC000585656361	345469203	/nfs/dbraw/zinc/46/92/03/345469203.db2.gz	ZNIIIOFIDRGUMG-LLVKDONJSA-N	-1	0	217.268	2.379	40	30		BEEBRM
C/C(=N\[O-])c1c(O)ccc2c(C)cc(=O)oc21	ZINC000068675226	191002397	/nfs/dbraw/zinc/00/23/97/191002397.db2.gz	NLGZHVWFAWBPMA-NTUHNPAUSA-N	-1	0	233.223	2.005	40	30		BEEBRM
N#Cc1c(C#N)c(=O)[n-]c2c1CCCCCC2	ZINC000035323566	188285185	/nfs/dbraw/zinc/28/51/85/188285185.db2.gz	YPBMBCSZDNLZKE-UHFFFAOYSA-N	-1	0	227.267	2.190	40	30		BEEBRM
N#C[C@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000019730232	181064046	/nfs/dbraw/zinc/06/40/46/181064046.db2.gz	MRSURWCSAGTTSU-QMMMGPOBSA-N	-1	0	209.632	2.107	40	30		BEEBRM
N#Cc1cc(Cl)c(=O)[n-]c1-c1cccnc1	ZINC000096510647	181086165	/nfs/dbraw/zinc/08/61/65/181086165.db2.gz	KSBDESRHGSRQEM-UHFFFAOYSA-N	-1	0	231.642	2.374	40	30		BEEBRM
C#CCOc1ccc(/C=C/C(=O)[O-])cc1Cl	ZINC000048071725	191799581	/nfs/dbraw/zinc/79/95/81/191799581.db2.gz	LTYLQNQDVWUNFL-GQCTYLIASA-N	-1	0	236.654	2.450	40	30		BEEBRM
N#Cc1ccc(C(F)(F)F)c(F)c1[O-]	ZINC000604221663	370006019	/nfs/dbraw/zinc/00/60/19/370006019.db2.gz	PBCABLQFAWWUGF-UHFFFAOYSA-N	-1	0	205.110	2.422	40	30		BEEBRM
O=C(C=C([O-])c1cccnc1)c1ccncc1	ZINC000103568534	181830462	/nfs/dbraw/zinc/83/04/62/181830462.db2.gz	MAGXLBOUXPTRRU-JYRVWZFOSA-N	-1	0	226.235	2.258	40	30		BEEBRM
O=C([O-])CC(F)(F)C(F)(F)C(F)(F)F	ZINC000022011341	182430828	/nfs/dbraw/zinc/43/08/28/182430828.db2.gz	NLAGAXIWWHZGCK-UHFFFAOYSA-N	-1	0	228.063	2.294	40	30		BEEBRM
O=C([O-])c1ccc(/C=N\N=C/c2ccco2)cc1	ZINC000016919177	182563446	/nfs/dbraw/zinc/56/34/46/182563446.db2.gz	JBSXGDWEDYXFMP-SFGFDRCGSA-N	-1	0	242.234	2.431	40	30		BEEBRM
CSCC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000004972296	384091083	/nfs/dbraw/zinc/09/10/83/384091083.db2.gz	GOSNMUPEQJCVPR-UHFFFAOYSA-N	-1	0	234.276	2.241	40	30		BEEBRM
C#CCOc1c(Cl)c(OC)sc1C(=O)[O-]	ZINC000096510978	256645263	/nfs/dbraw/zinc/64/52/63/256645263.db2.gz	IZYZJFMNFSIUMC-UHFFFAOYSA-N	-1	0	246.671	2.120	40	30		BEEBRM
C[C@@H](Sc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000004451123	176010665	/nfs/dbraw/zinc/01/06/65/176010665.db2.gz	LSHLXUATXFAKOS-SSDOTTSWSA-N	-1	0	248.307	2.007	40	30		BEEBRM
COc1cc(OC)c(/C(Cl)=N/[O-])cc1OC	ZINC000228902731	522784350	/nfs/dbraw/zinc/78/43/50/522784350.db2.gz	KJYKPJYPAJOATB-BENRWUELSA-N	-1	0	245.662	2.087	40	30		BEEBRM
O=C(/C=N/[O-])Nc1ccccc1N1CCCCC1	ZINC000095115859	527660649	/nfs/dbraw/zinc/66/06/49/527660649.db2.gz	YUUCNKVDRYUGFT-GXDHUFHOSA-N	-1	0	247.298	2.075	40	30		BEEBRM
O=C([O-])[C@H]1Cc2ccccc2C2=CC(=O)CC[C@@H]21	ZINC000001589402	342704577	/nfs/dbraw/zinc/70/45/77/342704577.db2.gz	GVJYVJPGGDBGQU-JSGCOSHPSA-N	-1	0	242.274	2.306	40	30		BEEBRM
C/C(=N\C(=N)[S-])c1cc2ccccc2oc1=O	ZINC000006691211	342780894	/nfs/dbraw/zinc/78/08/94/342780894.db2.gz	QLHASUQYJGLSEU-VGOFMYFVSA-N	-1	0	246.291	2.467	40	30		BEEBRM
Cc1cc(=O)[n-]c(N=NC2CCCC[C@@H]2C)n1	ZINC000017004032	342919116	/nfs/dbraw/zinc/91/91/16/342919116.db2.gz	ARUSYOXABALNOD-GDKSVXJGSA-N	-1	0	234.303	2.056	40	30		BEEBRM
C#CCOc1c(C)cc(C)cc1C(=O)[O-]	ZINC000225283105	187296931	/nfs/dbraw/zinc/29/69/31/187296931.db2.gz	IENNKMWGOCUEBB-UHFFFAOYSA-N	-1	0	204.225	2.014	40	30		BEEBRM
Cc1cccc(-c2ccc(C#N)c(=O)[n-]2)c1	ZINC000016349848	178993790	/nfs/dbraw/zinc/99/37/90/178993790.db2.gz	ZRJBUXQMNJKDBC-UHFFFAOYSA-N	-1	0	210.236	2.222	40	30		BEEBRM
O=C([O-])C1=CC(=O)CC[C@H]1c1ccccc1	ZINC000001644717	346461205	/nfs/dbraw/zinc/46/12/05/346461205.db2.gz	CNSIIZPEWAVOMI-NSHDSACASA-N	-1	0	216.236	2.144	40	30		BEEBRM
Cc1cc(C(=O)CC(=O)C(=O)[O-])ccc1Cl	ZINC000101504435	188254582	/nfs/dbraw/zinc/25/45/82/188254582.db2.gz	CISRIYDSIUJRFK-YHYXMXQVSA-N	-1	0	240.642	2.358	40	30		BEEBRM
O=C1c2ccccc2CC([O-])=C1c1cnccn1	ZINC000104271139	188324523	/nfs/dbraw/zinc/32/45/23/188324523.db2.gz	BXKMERAGUSGSFJ-UHFFFAOYSA-N	-1	0	238.246	2.185	40	30		BEEBRM
N#C[C@@H](Cc1cccc(Cl)c1)C(=O)[O-]	ZINC000019730233	181055315	/nfs/dbraw/zinc/05/53/15/181055315.db2.gz	MRSURWCSAGTTSU-MRVPVSSYSA-N	-1	0	209.632	2.107	40	30		BEEBRM
N#C[C@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000019730234	181064006	/nfs/dbraw/zinc/06/40/06/181064006.db2.gz	LGWFQRXQEDZFHW-QMMMGPOBSA-N	-1	0	209.632	2.107	40	30		BEEBRM
CC(C)(C)c1ccc(C#CC(=O)[O-])cc1	ZINC000032010054	356696579	/nfs/dbraw/zinc/69/65/79/356696579.db2.gz	ZRZZGGBSKNFGQZ-UHFFFAOYSA-N	-1	0	202.253	2.420	40	30		BEEBRM
O=C([O-])CC(F)(C(F)(F)F)C(F)(F)F	ZINC000044199053	182431032	/nfs/dbraw/zinc/43/10/32/182431032.db2.gz	XOCKVJATRHEEPH-UHFFFAOYSA-N	-1	0	228.063	2.294	40	30		BEEBRM
O=C([O-])c1ccc(C=NNc2ccccn2)cc1	ZINC000033398819	182563977	/nfs/dbraw/zinc/56/39/77/182563977.db2.gz	NOBIWKZBCSRAHG-DHDCSXOGSA-N	-1	0	241.250	2.226	40	30		BEEBRM
O=C(C=C([O-])c1ccccn1)C(F)(F)F	ZINC000100244410	384626318	/nfs/dbraw/zinc/62/63/18/384626318.db2.gz	FVPJCWDPQNYOQL-VMPITWQZSA-N	-1	0	217.146	2.269	40	30		BEEBRM
CCN(/C=C\C(=O)c1ccccc1[O-])CC	ZINC000101651638	384683393	/nfs/dbraw/zinc/68/33/93/384683393.db2.gz	QXYMFGIARLJINM-KTKRTIGZSA-N	-1	0	219.284	2.430	40	30		BEEBRM
Cc1sc(C#CC(=O)[O-])cc1Cl	ZINC000085396970	385161785	/nfs/dbraw/zinc/16/17/85/385161785.db2.gz	QJTGNDYVRRZRQY-UHFFFAOYSA-N	-1	0	200.646	2.146	40	30		BEEBRM
O/N=C/c1cccc2c(/C=N/O)cccc12	ZINC000005553400	385164479	/nfs/dbraw/zinc/16/44/79/385164479.db2.gz	MZOOOXLLYPFEEU-FNCQTZNRSA-N	-1	0	214.224	2.456	40	30		BEEBRM
CC[C@H](Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000062711298	385688526	/nfs/dbraw/zinc/68/85/26/385688526.db2.gz	NWAJJMUIXWLXMC-LLVKDONJSA-N	-1	0	203.241	2.212	40	30		BEEBRM
Cc1cc(C)c(C(=O)/C=C\C(=O)[O-])c(C)c1	ZINC000104359255	177839625	/nfs/dbraw/zinc/83/96/25/177839625.db2.gz	YZAVQWHPGAFDIH-PLNGDYQASA-N	-1	0	218.252	2.435	40	30		BEEBRM
Cc1cc(C)c(C#N)c(SCCC(=O)[O-])n1	ZINC000020396225	177837956	/nfs/dbraw/zinc/83/79/56/177837956.db2.gz	IEHHENMIKFRWBD-UHFFFAOYSA-N	-1	0	236.296	2.137	40	30		BEEBRM
C#C[C@H](/C=C\C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000033364733	166214154	/nfs/dbraw/zinc/21/41/54/166214154.db2.gz	KDTMZPJUCMQOPB-WXGCRTCVSA-N	-1	0	244.246	2.120	40	30		BEEBRM
C=CCOc1cc(OC)sc1C(=O)[O-]	ZINC000096510882	166423205	/nfs/dbraw/zinc/42/32/05/166423205.db2.gz	CPAULLMSNKLGLG-UHFFFAOYSA-N	-1	0	214.242	2.020	40	30		BEEBRM
COc1ccc(OC(F)(F)F)cc1/C=N/[O-]	ZINC000015442409	175162719	/nfs/dbraw/zinc/16/27/19/175162719.db2.gz	JUUIIBQGDYBQIC-WLRTZDKTSA-N	-1	0	235.161	2.402	40	30		BEEBRM
CCCN1C(=O)/C(=N\[O-])c2cccc(Cl)c21	ZINC000046084713	1171475194	/nfs/dbraw/zinc/47/51/94/1171475194.db2.gz	AGHZGVMZAURRND-LCYFTJDESA-N	-1	0	238.674	2.275	40	30		BEEBRM
O=C([O-])[C@@H]1Cc2ccccc2C2=CC(=O)CC[C@@H]21	ZINC000001589400	342704451	/nfs/dbraw/zinc/70/44/51/342704451.db2.gz	GVJYVJPGGDBGQU-GXTWGEPZSA-N	-1	0	242.274	2.306	40	30		BEEBRM
N#C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000585656338	345468415	/nfs/dbraw/zinc/46/84/15/345468415.db2.gz	VRTSYSLZQNRICM-QMMMGPOBSA-N	-1	0	243.184	2.472	40	30		BEEBRM
CC(C)Oc1ccc(C[C@@H](C#N)C(=O)[O-])cc1	ZINC000585656343	345468509	/nfs/dbraw/zinc/46/85/09/345468509.db2.gz	WIYCVOLJHYTLKK-NSHDSACASA-N	-1	0	233.267	2.241	40	30		BEEBRM
CC(C)(C)OC(=O)Nc1s[n-]c(=O)c1C#N	ZINC000045028258	352558147	/nfs/dbraw/zinc/55/81/47/352558147.db2.gz	VGWGEHDKRQPAJJ-UHFFFAOYSA-N	-1	0	241.272	2.067	40	30		BEEBRM
Cc1cc(C)cc(C[C@@H](C#N)C(=O)[O-])c1	ZINC000016697645	188000416	/nfs/dbraw/zinc/00/04/16/188000416.db2.gz	HTUJSWBPVUEMTK-NSHDSACASA-N	-1	0	203.241	2.070	40	30		BEEBRM
CC(=O)Oc1c(C)cc(Cl)cc1/C=N/[O-]	ZINC000216770492	188233155	/nfs/dbraw/zinc/23/31/55/188233155.db2.gz	UKTCXGQMSYGWLD-LFYBBSHMSA-N	-1	0	227.647	2.382	40	30		BEEBRM
Cc1ccc(Cl)c(C(=O)C=C(O)C(=O)[O-])c1	ZINC000106679574	188324743	/nfs/dbraw/zinc/32/47/43/188324743.db2.gz	NCUUXKLFAHDUDJ-YHYXMXQVSA-N	-1	0	240.642	2.358	40	30		BEEBRM
C=C[C@@H](C)OC(=O)C=C([O-])c1ccccc1	ZINC000016929803	188407453	/nfs/dbraw/zinc/40/74/53/188407453.db2.gz	NGRKZOSJHLRNIY-SNVBAGLBSA-N	-1	0	218.252	2.377	40	30		BEEBRM
N#Cc1c([O-])c(C(F)(F)F)ccc1F	ZINC000097447216	181074701	/nfs/dbraw/zinc/07/47/01/181074701.db2.gz	ZPITXCPIKXPVLA-UHFFFAOYSA-N	-1	0	205.110	2.422	40	30		BEEBRM
N#Cc1cccn1-c1cccc(C(=O)[O-])c1	ZINC000144892789	181151366	/nfs/dbraw/zinc/15/13/66/181151366.db2.gz	KUKRUMSKEOLERE-UHFFFAOYSA-N	-1	0	212.208	2.047	40	30		BEEBRM
Cc1ccc(C#CC(=O)[O-])c(Br)c1	ZINC000085396932	259496967	/nfs/dbraw/zinc/49/69/67/259496967.db2.gz	RGQSCKZAPDIYBM-UHFFFAOYSA-N	-1	0	239.068	2.194	40	30		BEEBRM
O=C(C=C([O-])c1ccncc1)c1ccncc1	ZINC000226864616	181830652	/nfs/dbraw/zinc/83/06/52/181830652.db2.gz	KEQVTWUWWKYNAM-XFXZXTDPSA-N	-1	0	226.235	2.258	40	30		BEEBRM
O=C([O-])c1cccc(C#CC2(O)CCCCC2)c1	ZINC000004299334	182576736	/nfs/dbraw/zinc/57/67/36/182576736.db2.gz	AMAIBZFFHTURTF-UHFFFAOYSA-N	-1	0	244.290	2.432	40	30		BEEBRM
O=C([O-])c1ccccc1/C=N\N=C\c1ccco1	ZINC000016919293	182580845	/nfs/dbraw/zinc/58/08/45/182580845.db2.gz	KNUFNKZHRRHAIH-DJJIWSAGSA-N	-1	0	242.234	2.431	40	30		BEEBRM
C#CCOc1c(C)cc(Cl)cc1C(=O)[O-]	ZINC000225278921	384830562	/nfs/dbraw/zinc/83/05/62/384830562.db2.gz	UEGAPNVSRFTCDW-UHFFFAOYSA-N	-1	0	224.643	2.359	40	30		BEEBRM
CO/N=C1\C[C@]2(C(=O)[O-])CC[C@@]1(C)C2(C)C	ZINC000085398686	385164560	/nfs/dbraw/zinc/16/45/60/385164560.db2.gz	YTCOFQCTENDHOM-DQSXNGOJSA-N	-1	0	225.288	2.290	40	30		BEEBRM
CC[C@H](Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000062711265	385689798	/nfs/dbraw/zinc/68/97/98/385689798.db2.gz	VUPWLPLOHSSXOH-LLVKDONJSA-N	-1	0	203.241	2.212	40	30		BEEBRM
COc1cc(Cl)cc(/C=N/[O-])c1OC(C)=O	ZINC000216770967	386798662	/nfs/dbraw/zinc/79/86/62/386798662.db2.gz	SVSVKMMDAKXFPA-LFYBBSHMSA-N	-1	0	243.646	2.082	40	30		BEEBRM
C=CCn1nc(-c2ccc(C(=O)[O-])o2)cc1C	ZINC000085392426	256771365	/nfs/dbraw/zinc/77/13/65/256771365.db2.gz	HJCUJDPVKQZYPC-UHFFFAOYSA-N	-1	0	232.239	2.336	40	30		BEEBRM
N#Cc1ccc(Nc2nc(C(=O)[O-])cs2)cc1	ZINC000155814734	388777390	/nfs/dbraw/zinc/77/73/90/388777390.db2.gz	IFCJDDZPAUJVBX-UHFFFAOYSA-N	-1	0	245.263	2.457	40	30		BEEBRM
N#Cc1c([O-])cc(F)cc1Br	ZINC000258836881	398131421	/nfs/dbraw/zinc/13/14/21/398131421.db2.gz	QCOGDOFOGACQIB-UHFFFAOYSA-N	-1	0	216.009	2.165	40	30		BEEBRM
C=CCNC(=S)Nc1ccc([S-])cc1	ZINC000016138393	166397952	/nfs/dbraw/zinc/39/79/52/166397952.db2.gz	VNNBHDVELOPAPM-UHFFFAOYSA-N	-1	0	224.354	2.448	40	30		BEEBRM
COc1ccc(/C(Cl)=N/[O-])c(OC)c1OC	ZINC000226099351	175046339	/nfs/dbraw/zinc/04/63/39/175046339.db2.gz	WTKAAGIOPPGLBK-BENRWUELSA-N	-1	0	245.662	2.087	40	30		BEEBRM
CC(C)CCN1c2ccccc2/C(=N/[O-])C1=O	ZINC000006459353	491085797	/nfs/dbraw/zinc/08/57/97/491085797.db2.gz	LUQBHVNISNMAKG-OWBHPGMISA-N	-1	0	232.283	2.258	40	30		BEEBRM
Cc1[n-]oc(=O)c1N=Nc1ccccc1Cl	ZINC000254524384	520900606	/nfs/dbraw/zinc/90/06/06/520900606.db2.gz	OOTHTARUZHONSW-UHFFFAOYSA-N	-1	0	237.646	2.041	40	30		BEEBRM
O=[N+]([O-])c1cc(C=N[O-])ccc1Cl	ZINC000252370085	527329265	/nfs/dbraw/zinc/32/92/65/527329265.db2.gz	ONIQTTDQIOTCLD-UHFFFAOYSA-N	-1	0	200.581	2.056	40	30		BEEBRM
C=CCN1C(=O)/C(=N\[O-])c2c1cccc2Cl	ZINC000046085049	1171474663	/nfs/dbraw/zinc/47/46/63/1171474663.db2.gz	AOWCSTXCXHXTRE-RAXLEYEMSA-N	-1	0	236.658	2.051	40	30		BEEBRM
CCCN1C(=O)/C(=N\[O-])c2cc(Cl)ccc21	ZINC000046085209	1171474128	/nfs/dbraw/zinc/47/41/28/1171474128.db2.gz	RZLZHZUCINQOBA-RAXLEYEMSA-N	-1	0	238.674	2.275	40	30		BEEBRM
CCc1n[n-]c(=S)n1N=Cc1ccccc1O	ZINC000005410298	136215009	/nfs/dbraw/zinc/21/50/09/136215009.db2.gz	KZYYFMUNWRAMOV-KPKJPENVSA-N	-1	0	248.311	2.091	40	30		BEEBRM
O=C([O-])c1ccc(N=NCC(F)(F)F)cc1	ZINC000001752386	342711963	/nfs/dbraw/zinc/71/19/63/342711963.db2.gz	VEMVEXLCUQSWPV-WLRTZDKTSA-N	-1	0	232.161	2.345	40	30		BEEBRM
C=CCSc1nc(C)sc1C(=O)[O-]	ZINC000218308210	187226937	/nfs/dbraw/zinc/22/69/37/187226937.db2.gz	CPVQWRMDBDKXKE-UHFFFAOYSA-N	-1	0	215.299	2.428	40	30		BEEBRM
C=CCn1ccc(-c2ccc(C(=O)[O-])o2)n1	ZINC000085392257	187243652	/nfs/dbraw/zinc/24/36/52/187243652.db2.gz	GGYKWSQTODAQLL-UHFFFAOYSA-N	-1	0	218.212	2.027	40	30		BEEBRM
N#Cc1ccc(Oc2ccccc2C(=O)[O-])nc1	ZINC000048802474	187269752	/nfs/dbraw/zinc/26/97/52/187269752.db2.gz	NLGNKCWZJGMMIY-UHFFFAOYSA-N	-1	0	240.218	2.444	40	30		BEEBRM
N#CC(C#N)=C([O-])c1cccc(Br)c1	ZINC000082375446	187281946	/nfs/dbraw/zinc/28/19/46/187281946.db2.gz	UQYOXCDNAIKNRY-UHFFFAOYSA-N	-1	0	249.067	2.295	40	30		BEEBRM
CC(C)Oc1ccc(C[C@H](C#N)C(=O)[O-])cc1	ZINC000585656339	345468514	/nfs/dbraw/zinc/46/85/14/345468514.db2.gz	WIYCVOLJHYTLKK-LLVKDONJSA-N	-1	0	233.267	2.241	40	30		BEEBRM
C/C(=N/[O-])c1ccc(Br)cc1O	ZINC000100190143	187361711	/nfs/dbraw/zinc/36/17/11/187361711.db2.gz	NWRUTNXANKUWOG-YHYXMXQVSA-N	-1	0	230.061	2.353	40	30		BEEBRM
C=CCc1cc(C(=O)OCC)cc(OC)c1O	ZINC000001747266	187364228	/nfs/dbraw/zinc/36/42/28/187364228.db2.gz	VIYOHUMAPDZGNO-UHFFFAOYSA-N	-1	0	236.267	2.306	40	30		BEEBRM
Cc1nc2ccccc2c(C(=O)[O-])c1C#N	ZINC000026506512	180101312	/nfs/dbraw/zinc/10/13/12/180101312.db2.gz	PVRZKUZRUQVJFS-UHFFFAOYSA-N	-1	0	212.208	2.113	40	30		BEEBRM
C=C(C(=O)[O-])[C@@H](CCCCCC)C(=O)OC	ZINC000028567056	187884787	/nfs/dbraw/zinc/88/47/87/187884787.db2.gz	UYWRIHKZMXRQPD-SNVBAGLBSA-N	-1	0	228.288	2.387	40	30	biogenic,in-vitro	BEEBRM
N#Cc1c[n-]c2ccc(OC(F)F)cc2c1=O	ZINC000019502572	188353708	/nfs/dbraw/zinc/35/37/08/188353708.db2.gz	DFBRRKBZVSCYEN-UHFFFAOYSA-N	-1	0	236.177	2.001	40	30		BEEBRM
O=C([O-])C(=O)/C=C\c1ccc(Cl)cc1	ZINC000012416420	182416266	/nfs/dbraw/zinc/41/62/66/182416266.db2.gz	RVSPZCGKZYTJOA-UTCJRWHESA-N	-1	0	210.616	2.007	40	30		BEEBRM
CC[C@@H](Cc1cccc(C#N)c1)C(=O)[O-]	ZINC000062711295	384846320	/nfs/dbraw/zinc/84/63/20/384846320.db2.gz	NWAJJMUIXWLXMC-NSHDSACASA-N	-1	0	203.241	2.212	40	30		BEEBRM
C[C@@]1(CC(=O)[O-])[C@H]2CC[C@]1(C)/C(=N/O)C2	ZINC000072207272	385062554	/nfs/dbraw/zinc/06/25/54/385062554.db2.gz	LHDRQQPBWHWFTJ-SDHPLTIBSA-N	-1	0	211.261	2.118	40	30		BEEBRM
[O-]/N=C/c1cccc(OC(F)(F)F)c1	ZINC000002518617	388840790	/nfs/dbraw/zinc/84/07/90/388840790.db2.gz	WTEIBXWRMZEGIK-LFYBBSHMSA-N	-1	0	205.135	2.393	40	30		BEEBRM
CC(=NC(=N)[S-])c1cc2ccccc2oc1=O	ZINC000254482476	388847256	/nfs/dbraw/zinc/84/72/56/388847256.db2.gz	QLHASUQYJGLSEU-UHFFFAOYSA-N	-1	0	246.291	2.467	40	30		BEEBRM
CN(C)/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000026461577	172350121	/nfs/dbraw/zinc/35/01/21/172350121.db2.gz	HVRGJVQUOZZZAS-AATRIKPKSA-N	-1	0	225.675	2.304	40	30		BEEBRM
O=C([O-])Cc1ccc(/N=C/c2cccnc2)cc1	ZINC000147169082	1167430260	/nfs/dbraw/zinc/43/02/60/1167430260.db2.gz	FEFHCAXIZULBLS-MHWRWJLKSA-N	-1	0	240.262	2.459	40	30		BEEBRM
O=C(/C=C/c1ccccn1)c1ccc(O)cc1[O-]	ZINC000027519999	1170201129	/nfs/dbraw/zinc/20/11/29/1170201129.db2.gz	JWNCPYLEXSREPQ-QPJJXVBHSA-N	-1	0	241.246	2.389	40	30		BEEBRM
CCCCCCCC[C@@H](NC(C)=O)C(=O)[O-]	ZINC000002046420	342715402	/nfs/dbraw/zinc/71/54/02/342715402.db2.gz	IFNBFNVQYOIJJC-LLVKDONJSA-N	-1	0	229.320	2.326	40	30		BEEBRM
CC(=NNc1ccc(Cl)cc1)C(=O)[O-]	ZINC000017149444	342921213	/nfs/dbraw/zinc/92/12/13/342921213.db2.gz	BFRDBVHWNKDMOG-WDZFZDKYSA-N	-1	0	212.636	2.212	40	30		BEEBRM
C#CCSc1cc(C(=O)[O-])ccc1OC	ZINC000218300575	187226962	/nfs/dbraw/zinc/22/69/62/187226962.db2.gz	IUKXLVDBLSSRJO-UHFFFAOYSA-N	-1	0	222.265	2.119	40	30		BEEBRM
CCCCCC=NNc1nc(C)cc(=O)[nH]1	ZINC000008617662	187249059	/nfs/dbraw/zinc/24/90/59/187249059.db2.gz	XQJXFRREHXVMNQ-KPKJPENVSA-N	-1	0	222.292	2.056	40	30		BEEBRM
CS/C(=C\C(=O)c1ccccc1)C(=O)[O-]	ZINC000017025188	187251744	/nfs/dbraw/zinc/25/17/44/187251744.db2.gz	FRKNBINFSSWNCO-YFHOEESVSA-N	-1	0	222.265	2.201	40	30		BEEBRM
C/C(=N\[O-])C(=O)c1cccc(Br)c1	ZINC000104095723	187291482	/nfs/dbraw/zinc/29/14/82/187291482.db2.gz	FIEKWZGCKWZJHQ-IZZDOVSWSA-N	-1	0	242.072	2.482	40	30		BEEBRM
N#Cc1c[n-]c2c(Cl)cc([N+](=O)[O-])cc2c1=O	ZINC000031777169	190984144	/nfs/dbraw/zinc/98/41/44/190984144.db2.gz	RPISMGBJCPUIMP-UHFFFAOYSA-N	-1	0	249.613	2.374	40	30		BEEBRM
CC(C)/C(CC[C@@H](C)CC(=O)[O-])=N\O	ZINC000004701362	191121412	/nfs/dbraw/zinc/12/14/12/191121412.db2.gz	AKRFQXNNUYLRBO-IDTVXWRCSA-N	-1	0	201.266	2.364	40	30		BEEBRM
C=CCn1c(C(C)=O)cc(C(=O)[O-])c1CC	ZINC000078404565	188259019	/nfs/dbraw/zinc/25/90/19/188259019.db2.gz	XVLGWLREQBBRTI-UHFFFAOYSA-N	-1	0	221.256	2.137	40	30		BEEBRM
O=C([O-])/C(Cc1ccc(Cl)cc1Cl)=N\O	ZINC000005031795	188276907	/nfs/dbraw/zinc/27/69/07/188276907.db2.gz	MWFZHPKGSYBDFA-WQLSENKSSA-N	-1	0	248.065	2.451	40	30		BEEBRM
N#CC(CCCC(=O)[O-])=NNc1ccccc1	ZINC000004745157	181025037	/nfs/dbraw/zinc/02/50/37/181025037.db2.gz	BTAFCRYLCVFGIK-PTNGSMBKSA-N	-1	0	231.255	2.233	40	30		BEEBRM
N#Cc1cc(F)c(Br)cc1[O-]	ZINC000148858459	181086672	/nfs/dbraw/zinc/08/66/72/181086672.db2.gz	XBBNMZLXTQRDQA-UHFFFAOYSA-N	-1	0	216.009	2.165	40	30		BEEBRM
N#Cc1ccc(C([O-])=CC(=O)C(F)(F)F)cc1	ZINC000100640045	181096504	/nfs/dbraw/zinc/09/65/04/181096504.db2.gz	AWPZUKQSQVGPHX-UHFFFAOYSA-N	-1	0	241.168	2.262	40	30		BEEBRM
N#Cc1ccc(Nc2cccc(C(=O)[O-])c2)nc1	ZINC000036968746	361583909	/nfs/dbraw/zinc/58/39/09/361583909.db2.gz	HRSXJPPCQVJSLV-UHFFFAOYSA-N	-1	0	239.234	2.395	40	30		BEEBRM
Cc1c(/C=N\O)nc2ccccc2c1C(=O)[O-]	ZINC000104054713	384795149	/nfs/dbraw/zinc/79/51/49/384795149.db2.gz	BAIMCWDOBUSFEC-MLPAPPSSSA-N	-1	0	230.223	2.050	40	30		BEEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\[O-])c1	ZINC000216775609	386800832	/nfs/dbraw/zinc/80/08/32/386800832.db2.gz	XODOQHQHLTUUFV-WTKPLQERSA-N	-1	0	245.032	2.165	40	30		BEEBRM
CC[C@@H](Cc1ccc(C#N)cc1)C(=O)[O-]	ZINC000062711262	388655313	/nfs/dbraw/zinc/65/53/13/388655313.db2.gz	VUPWLPLOHSSXOH-NSHDSACASA-N	-1	0	203.241	2.212	40	30		BEEBRM
COc1cc(Br)c([O-])c(C#N)c1	ZINC000115278211	388693723	/nfs/dbraw/zinc/69/37/23/388693723.db2.gz	NLWUBVIXTNMGIG-UHFFFAOYSA-N	-1	0	228.045	2.035	40	30		BEEBRM
CC/C(=N/OCc1ccccc1)C(=O)[O-]	ZINC000004692506	167819261	/nfs/dbraw/zinc/81/92/61/167819261.db2.gz	XMAAOPAZUBODOG-BENRWUELSA-N	-1	0	207.229	2.054	40	30		BEEBRM
CCOC(=O)c1sc(SC)c(C#N)c1[O-]	ZINC000000481492	170310492	/nfs/dbraw/zinc/31/04/92/170310492.db2.gz	QIDAHTFFTBMWHZ-UHFFFAOYSA-N	-1	0	243.309	2.224	40	30		BEEBRM
N#CC=C([O-])c1ncc(Cl)cc1Cl	ZINC000228944186	526443181	/nfs/dbraw/zinc/44/31/81/526443181.db2.gz	FIMFELNNLBAQRJ-UHFFFAOYSA-N	-1	0	215.039	2.485	40	30		BEEBRM
CC(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1	ZINC000080298698	527542457	/nfs/dbraw/zinc/54/24/57/527542457.db2.gz	KEFPSAVHVGHCGK-UHFFFAOYSA-N	-1	0	247.703	2.314	40	30		BEEBRM
O=C([O-])C#Cc1ccc(Cl)cc1Cl	ZINC000001577721	643088065	/nfs/dbraw/zinc/08/80/65/643088065.db2.gz	OSHXQMWUABGGBV-UHFFFAOYSA-N	-1	0	215.035	2.430	40	30		BEEBRM
[O-]/N=C(\Cl)c1ccc2nccnc2c1	ZINC000514252399	1167523791	/nfs/dbraw/zinc/52/37/91/1167523791.db2.gz	BFWWQDJKTZJVEZ-LCYFTJDESA-N	-1	0	207.620	2.004	40	30		BEEBRM
CCCN1C(=O)/C(=N\[O-])c2ccc(Cl)cc21	ZINC000046084649	1171475660	/nfs/dbraw/zinc/47/56/60/1171475660.db2.gz	CXHKQNBWOPDHAH-RAXLEYEMSA-N	-1	0	238.674	2.275	40	30		BEEBRM
N#Cc1c([O-])cc(C(F)(F)F)cc1F	ZINC000097447214	187289531	/nfs/dbraw/zinc/28/95/31/187289531.db2.gz	GAEWZBJUHIBWLN-UHFFFAOYSA-N	-1	0	205.110	2.422	40	30		BEEBRM
Cc1ccc(C[C@@H](C#N)C(=O)[O-])cc1C	ZINC000585656318	345468661	/nfs/dbraw/zinc/46/86/61/345468661.db2.gz	OYICRZZJIRTBCL-NSHDSACASA-N	-1	0	203.241	2.070	40	30		BEEBRM
CC(=O)C(=C(C)[O-])C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000100988224	191063925	/nfs/dbraw/zinc/06/39/25/191063925.db2.gz	DGEVYEOSOYUMMB-YRNVUSSQSA-N	-1	0	249.222	2.199	40	30		BEEBRM
C=CCSc1nc(C)ccc1C(=O)[O-]	ZINC000002522323	191109239	/nfs/dbraw/zinc/10/92/39/191109239.db2.gz	KUJMECMMIKSIEP-UHFFFAOYSA-N	-1	0	209.270	2.366	40	30		BEEBRM
CC(C)/C(CC[C@H](C)CC(=O)[O-])=N\O	ZINC000004701363	191120983	/nfs/dbraw/zinc/12/09/83/191120983.db2.gz	AKRFQXNNUYLRBO-HXFLENJLSA-N	-1	0	201.266	2.364	40	30		BEEBRM
O=C([O-])C#Cc1ccc(C(F)(F)F)cc1	ZINC000082501894	182415863	/nfs/dbraw/zinc/41/58/63/182415863.db2.gz	XOCLMGDPIQZXDW-UHFFFAOYSA-N	-1	0	214.142	2.142	40	30		BEEBRM
O=C([O-])c1ccccc1C=NNc1ccccn1	ZINC000016051250	182581622	/nfs/dbraw/zinc/58/16/22/182581622.db2.gz	KTLKQLVQCFUCET-OQLLNIDSSA-N	-1	0	241.250	2.226	40	30		BEEBRM
[O-]/N=C/c1snnc1-c1ccccc1	ZINC000013402253	384358009	/nfs/dbraw/zinc/35/80/09/384358009.db2.gz	OOXKLBANBDAIPJ-UXBLZVDNSA-N	-1	0	205.242	2.013	40	30		BEEBRM
C#CCOc1ccc(C(C)(C)CC(=O)[O-])cc1	ZINC000085398505	385165976	/nfs/dbraw/zinc/16/59/76/385165976.db2.gz	OGCRNEHWSGODLN-UHFFFAOYSA-N	-1	0	232.279	2.451	40	30		BEEBRM
CC(C)CC(=O)[N-]S(=O)(=O)c1ccccc1	ZINC000001613248	166743034	/nfs/dbraw/zinc/74/30/34/166743034.db2.gz	FAYBSXAGJKBJMN-UHFFFAOYSA-N	-1	0	241.312	2.378	40	30		BEEBRM
CCC(=N\O)/C(=N/[O-])c1ccc(C)cc1	ZINC000006590991	168197109	/nfs/dbraw/zinc/19/71/09/168197109.db2.gz	QDRPOJFOMIMHHQ-DCIPZJNNSA-N	-1	0	206.245	2.414	40	30		BEEBRM
CCOC(=O)N(Cc1ccccc1)C([O-])=CC#N	ZINC000026475894	170238698	/nfs/dbraw/zinc/23/86/98/170238698.db2.gz	CAAFDYKIGYVNPV-UHFFFAOYSA-N	-1	0	246.266	2.085	40	30		BEEBRM
COc1ccc(C(=O)[O-])cc1-n1cccc1C#N	ZINC000223744358	175064741	/nfs/dbraw/zinc/06/47/41/175064741.db2.gz	PUNCDHUMYFZPHJ-UHFFFAOYSA-N	-1	0	242.234	2.056	40	30		BEEBRM
COc1ccc2c(c1)CCC(C=O)=C2[O-]	ZINC000100515004	175208087	/nfs/dbraw/zinc/20/80/87/175208087.db2.gz	DLZNDSMSFGMMHU-CLFYSBASSA-N	-1	0	204.225	2.266	40	30		BEEBRM
CCCCCN1c2ccccc2/C(=N/[O-])C1=O	ZINC000046085073	1171474398	/nfs/dbraw/zinc/47/43/98/1171474398.db2.gz	AKSCSTZXUMOPMV-OWBHPGMISA-N	-1	0	232.283	2.402	40	30		BEEBRM
C=CCN1c2c(ccc(C)c2C)/C(=N/[O-])C1=O	ZINC000046084769	1171474567	/nfs/dbraw/zinc/47/45/67/1171474567.db2.gz	XDMRBOIBUPVOKQ-KAMYIIQDSA-N	-1	0	230.267	2.014	40	30		BEEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2ccccn2)c1	ZINC000001703619	342710276	/nfs/dbraw/zinc/71/02/76/342710276.db2.gz	OXDZBSPFBVPRHP-RIYZIHGNSA-N	-1	0	243.222	2.446	40	30		BEEBRM
O=C([O-])c1ccccc1/C=N/N=C/c1ccco1	ZINC000001709385	342710374	/nfs/dbraw/zinc/71/03/74/342710374.db2.gz	KNUFNKZHRRHAIH-VOMDNODZSA-N	-1	0	242.234	2.431	40	30		BEEBRM
Cc1cc(=O)[n-]c(N=NC2CCCC[C@@H]2C)n1	ZINC000004876765	342753935	/nfs/dbraw/zinc/75/39/35/342753935.db2.gz	ARUSYOXABALNOD-TWFNCOQOSA-N	-1	0	234.303	2.056	40	30		BEEBRM
O=C([O-])c1ccccc1/N=C/c1ccc[nH]1	ZINC000012403065	342851599	/nfs/dbraw/zinc/85/15/99/342851599.db2.gz	JLWPWTUWPIVQLD-RIYZIHGNSA-N	-1	0	214.224	2.464	40	30		BEEBRM
C#CCOc1c(Cl)cc(OC)cc1C(=O)[O-]	ZINC000225280042	187296962	/nfs/dbraw/zinc/29/69/62/187296962.db2.gz	WWBSEKOSWVLWII-UHFFFAOYSA-N	-1	0	240.642	2.059	40	30		BEEBRM
C#CCOc1ccc(Cl)cc1/C=N\[O-]	ZINC000100250114	191062544	/nfs/dbraw/zinc/06/25/44/191062544.db2.gz	YYSACDVOGXGWEO-GHXNOFRVSA-N	-1	0	209.632	2.160	40	30		BEEBRM
CC(=NNc1ccc(Cl)cc1)C(=O)[O-]	ZINC000004692497	187585318	/nfs/dbraw/zinc/58/53/18/187585318.db2.gz	BFRDBVHWNKDMOG-IZZDOVSWSA-N	-1	0	212.636	2.212	40	30		BEEBRM
CN(CCC#N)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000020527101	363184681	/nfs/dbraw/zinc/18/46/81/363184681.db2.gz	QJHZVLQNKAIRKM-VMPITWQZSA-N	-1	0	230.267	2.134	40	30		BEEBRM
C#CCSc1ccc(OC)c(C(=O)[O-])c1	ZINC000218301065	188252305	/nfs/dbraw/zinc/25/23/05/188252305.db2.gz	ZHTVEEFLSDUHFW-UHFFFAOYSA-N	-1	0	222.265	2.119	40	30		BEEBRM
N#Cc1cc2cc3c(cc2[n-]c1=S)OCCO3	ZINC000013483184	181093867	/nfs/dbraw/zinc/09/38/67/181093867.db2.gz	DHGDMUNNRICMBN-UHFFFAOYSA-N	-1	0	244.275	2.166	40	30		BEEBRM
CCc1cc(C#N)n(Cc2ccc(C(=O)[O-])o2)c1	ZINC000078405023	384153694	/nfs/dbraw/zinc/15/36/94/384153694.db2.gz	SGQAGNZRHLZULQ-UHFFFAOYSA-N	-1	0	244.250	2.262	40	30		BEEBRM
[O-]/N=C1\CC2(CCOCC2)Oc2ccccc21	ZINC000019374530	384518980	/nfs/dbraw/zinc/51/89/80/384518980.db2.gz	PIVUAIYWWMSXAR-SDNWHVSQSA-N	-1	0	233.267	2.197	40	30		BEEBRM
O=C([O-])C#Cc1cccc2nc3ccccc3nc12	ZINC000085392191	385156259	/nfs/dbraw/zinc/15/62/59/385156259.db2.gz	ZYORFIXVRMPVIZ-UHFFFAOYSA-N	-1	0	248.241	2.219	40	30		BEEBRM
Cc1c(C(=O)[O-])cccc1-n1cccc1C#N	ZINC000223742213	387198115	/nfs/dbraw/zinc/19/81/15/387198115.db2.gz	XCLMYYXUNYBQRU-UHFFFAOYSA-N	-1	0	226.235	2.356	40	30		BEEBRM
C=C(C(=O)[O-])[C@H](CCCCCC)C(=O)OC	ZINC000028567058	388347386	/nfs/dbraw/zinc/34/73/86/388347386.db2.gz	UYWRIHKZMXRQPD-JTQLQIEISA-N	-1	0	228.288	2.387	40	30	biogenic,in-vitro	BEEBRM
C[C@@]12CC[C@@H](C/C1=N\O)[C@]2(C)CC(=O)[O-]	ZINC000252505348	388654342	/nfs/dbraw/zinc/65/43/42/388654342.db2.gz	LHDRQQPBWHWFTJ-YUNJESNJSA-N	-1	0	211.261	2.118	40	30		BEEBRM
CC(C)c1ccccc1/C=N/CC(=O)[O-]	ZINC000019453338	167638640	/nfs/dbraw/zinc/63/86/40/167638640.db2.gz	BKZUHGRDUPZJSY-NTUHNPAUSA-N	-1	0	205.257	2.314	40	30		BEEBRM
C=CCN1C(=O)/C(=N\[O-])c2cccc(Cl)c21	ZINC000046084718	1171475412	/nfs/dbraw/zinc/47/54/12/1171475412.db2.gz	YUSMGIIZLAHFRI-LCYFTJDESA-N	-1	0	236.658	2.051	40	30		BEEBRM
CCCN1C(=O)/C(=N\[O-])c2ccc(C)c(C)c21	ZINC000046084770	1171473886	/nfs/dbraw/zinc/47/38/86/1171473886.db2.gz	FKBJQWBADWZYRU-KAMYIIQDSA-N	-1	0	232.283	2.238	40	30		BEEBRM
C=CCN1C(=O)/C(=N\[O-])c2cc(Cl)ccc21	ZINC000046085194	1171475557	/nfs/dbraw/zinc/47/55/57/1171475557.db2.gz	INMUTQCIKHADQF-RAXLEYEMSA-N	-1	0	236.658	2.051	40	30		BEEBRM
C=CCOc1cccc(CCC(=O)[O-])c1	ZINC000072206754	259314462	/nfs/dbraw/zinc/31/44/62/259314462.db2.gz	HOEPYWAVLIISBD-UHFFFAOYSA-N	-1	0	206.241	2.269	40	30		BEEBRM
C=CCOc1ccc2cc(C(=O)[O-])c(=O)oc2c1	ZINC000072219779	259318960	/nfs/dbraw/zinc/31/89/60/259318960.db2.gz	XEAUVTNEDZMVNE-UHFFFAOYSA-N	-1	0	246.218	2.056	40	30		BEEBRM
Cc1cc(=O)[n-]c(N=NC2CCCC[C@H]2C)n1	ZINC000004876766	342753875	/nfs/dbraw/zinc/75/38/75/342753875.db2.gz	ARUSYOXABALNOD-CXDTUUPPSA-N	-1	0	234.303	2.056	40	30		BEEBRM
O=[N+]([O-])c1ccc([O-])c(/N=C\c2ccccn2)c1	ZINC000017425245	342924782	/nfs/dbraw/zinc/92/47/82/342924782.db2.gz	OXDZBSPFBVPRHP-ZSOIEALJSA-N	-1	0	243.222	2.446	40	30		BEEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\C(=O)[O-]	ZINC000011544809	188163538	/nfs/dbraw/zinc/16/35/38/188163538.db2.gz	UVBOLVXQLDACCM-MSPACXIBSA-N	-1	0	208.257	2.023	40	30		BEEBRM
C=CCC(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000005377195	188225527	/nfs/dbraw/zinc/22/55/27/188225527.db2.gz	KVKVMAPRNCYYPI-UHFFFAOYSA-N	-1	0	233.267	2.218	40	30		BEEBRM
N#CC=C([O-])c1c(F)c(F)c(F)c(F)c1F	ZINC000002579791	181033975	/nfs/dbraw/zinc/03/39/75/181033975.db2.gz	LTFOZLMSIJFGKV-UHFFFAOYSA-N	-1	0	235.111	2.478	40	30		BEEBRM
N#Cc1c[n-]c2cc(Cl)ccc2c1=O	ZINC000032151698	372153038	/nfs/dbraw/zinc/15/30/38/372153038.db2.gz	AWSDUPVFXCHALA-UHFFFAOYSA-N	-1	0	204.616	2.465	40	30		BEEBRM
O=C([O-])C1=CC(=O)CC[C@@H]1c1ccccc1	ZINC000005023701	182714241	/nfs/dbraw/zinc/71/42/41/182714241.db2.gz	CNSIIZPEWAVOMI-LLVKDONJSA-N	-1	0	216.236	2.144	40	30		BEEBRM
CCCCCCCCn1nn[n-]c1=S	ZINC000002386368	383961055	/nfs/dbraw/zinc/96/10/55/383961055.db2.gz	MQSDEYQNRWICCX-UHFFFAOYSA-N	-1	0	214.338	2.322	40	30		BEEBRM
CCCCCC=NNc1nc(=O)cc(C)[nH]1	ZINC000008617661	384205912	/nfs/dbraw/zinc/20/59/12/384205912.db2.gz	XQJXFRREHXVMNQ-GHXNOFRVSA-N	-1	0	222.292	2.469	40	30		BEEBRM
Cc1cc(C)cc(C[C@H](C#N)C(=O)[O-])c1	ZINC000016697647	384705576	/nfs/dbraw/zinc/70/55/76/384705576.db2.gz	HTUJSWBPVUEMTK-LLVKDONJSA-N	-1	0	203.241	2.070	40	30		BEEBRM
CCCCCCCC[C@H](O)C#CC(=O)[O-]	ZINC000068562458	385095155	/nfs/dbraw/zinc/09/51/55/385095155.db2.gz	NMNRCZPYMZJJDO-NSHDSACASA-N	-1	0	212.289	2.186	40	30		BEEBRM
CO/N=C1\C[C@@]2(C(=O)[O-])CC[C@]1(C)C2(C)C	ZINC000085398683	385166275	/nfs/dbraw/zinc/16/62/75/385166275.db2.gz	YTCOFQCTENDHOM-ZSEQQEGFSA-N	-1	0	225.288	2.290	40	30		BEEBRM
CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000002689550	385684098	/nfs/dbraw/zinc/68/40/98/385684098.db2.gz	JAELKABXNAKVIJ-UHFFFAOYSA-N	-1	0	227.285	2.050	40	30		BEEBRM
C/C=C/C(=O)c1c([O-])cc(OC)cc1OC	ZINC000014817799	388583862	/nfs/dbraw/zinc/58/38/62/388583862.db2.gz	ZKVIBKWHKHBWPT-SNAWJCMRSA-N	-1	0	222.240	2.168	40	30	biogenic,in-vitro	BEEBRM
N#CCCC/C(=N\[O-])C(=O)OCc1ccccc1	ZINC000017289709	526443270	/nfs/dbraw/zinc/44/32/70/526443270.db2.gz	FLXVDHAITYCIPW-NTCAYCPXSA-N	-1	0	246.266	2.254	40	30		BEEBRM
[O-]N=Cc1ccc(Br)cc1F	ZINC000252369924	527643884	/nfs/dbraw/zinc/64/38/84/527643884.db2.gz	DHBUKMPUUDCJTH-UHFFFAOYSA-N	-1	0	218.025	2.396	40	30		BEEBRM
C=CCN1C(=O)/C(=N\[O-])c2ccc(Cl)cc21	ZINC000046084642	1171473699	/nfs/dbraw/zinc/47/36/99/1171473699.db2.gz	DPSKXFBKBDVNTR-RAXLEYEMSA-N	-1	0	236.658	2.051	40	30		BEEBRM
O=C([O-])c1ccc(/C=N\N=C\c2ccco2)cc1	ZINC000005030349	342756810	/nfs/dbraw/zinc/75/68/10/342756810.db2.gz	JBSXGDWEDYXFMP-DJJIWSAGSA-N	-1	0	242.234	2.431	40	30		BEEBRM
CC(C)c1ccc(C(/C=N/O)=N\[O-])cc1	ZINC000005413328	342763371	/nfs/dbraw/zinc/76/33/71/342763371.db2.gz	ZEZKUWWOUAJWAK-MHUJIAIDSA-N	-1	0	206.245	2.448	40	30		BEEBRM
OC1=CCC=C(O)C1c1nc2ccccc2[nH]1	ZINC000010385514	342835940	/nfs/dbraw/zinc/83/59/40/342835940.db2.gz	CJCVHVMALPRPIL-UHFFFAOYSA-N	-1	0	228.251	2.058	40	30		BEEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/N2CCCCC2)c1	ZINC000035610713	343300506	/nfs/dbraw/zinc/30/05/06/343300506.db2.gz	ONZLJAXIAZKLQL-UKTHLTGXSA-N	-1	0	249.270	2.120	40	30		BEEBRM
CCCc1ccc(C#N)c(SCC(=O)[O-])n1	ZINC000004640925	191119751	/nfs/dbraw/zinc/11/97/51/191119751.db2.gz	VIPARJIBWNNDQS-UHFFFAOYSA-N	-1	0	236.296	2.082	40	30		BEEBRM
C#Cc1cc(C(=O)[O-])ccc1Br	ZINC000604221606	371961952	/nfs/dbraw/zinc/96/19/52/371961952.db2.gz	LVOONLIEWFMYRH-UHFFFAOYSA-N	-1	0	225.041	2.129	40	30		BEEBRM
C/C(=N/[O-])C(=O)c1ccc(Br)cc1	ZINC000100059063	384612391	/nfs/dbraw/zinc/61/23/91/384612391.db2.gz	SSNIXANZPPREMK-WDZFZDKYSA-N	-1	0	242.072	2.482	40	30		BEEBRM
C=CCn1nc(C)cc1-c1ccc(C(=O)[O-])o1	ZINC000085392446	385159826	/nfs/dbraw/zinc/15/98/26/385159826.db2.gz	KCGFWVDNCBHEQF-UHFFFAOYSA-N	-1	0	232.239	2.336	40	30		BEEBRM
CCOc1c(Cl)cc(/C=N\[O-])cc1[N+](=O)[O-]	ZINC000216942869	385875272	/nfs/dbraw/zinc/87/52/72/385875272.db2.gz	NOPJQJWTSRKLSL-WZUFQYTHSA-N	-1	0	244.634	2.455	40	30		BEEBRM
O=C([O-])C#Cc1ccc(Cl)c(Cl)c1	ZINC000047218884	386531760	/nfs/dbraw/zinc/53/17/60/386531760.db2.gz	PKOMUHWZSKQLMP-UHFFFAOYSA-N	-1	0	215.035	2.430	40	30		BEEBRM
O=C(C=C([O-])C(F)(F)F)c1cccnc1	ZINC000100925214	387519954	/nfs/dbraw/zinc/51/99/54/387519954.db2.gz	QKVQUDIPDPLURP-YWEYNIOJSA-N	-1	0	217.146	2.269	40	30		BEEBRM
Cc1noc(/C=N/[O-])c1NC(=O)OC(C)(C)C	ZINC000217888755	388383043	/nfs/dbraw/zinc/38/30/43/388383043.db2.gz	QJVKCZHTNMRPCQ-VZUCSPMQSA-N	-1	0	241.247	2.138	40	30		BEEBRM
CC1(C)[C@@]2(C)CC[C@]1(C(=O)[O-])C/C2=N\O	ZINC000100319164	168014420	/nfs/dbraw/zinc/01/44/20/168014420.db2.gz	NSRBNLPONXTVQG-QHABWNLFSA-N	-1	0	211.261	2.118	40	30		BEEBRM
O=C(C=N[O-])Nc1ccc(Cl)cc1Cl	ZINC000254404798	526319399	/nfs/dbraw/zinc/31/93/99/526319399.db2.gz	SMAMVCPTXWEWAE-UHFFFAOYSA-N	-1	0	233.054	2.392	40	30		BEEBRM
Cc1ccc(C(=O)CC(=O)C(=O)[O-])c(C)c1	ZINC000003605204	178369173	/nfs/dbraw/zinc/36/91/73/178369173.db2.gz	XOAHQXWXJJGSIW-WDZFZDKYSA-N	-1	0	220.224	2.013	40	30		BEEBRM
N#Cc1c(=O)[n-]c(C(F)(F)F)c2c1CCCC2	ZINC000072207591	259315326	/nfs/dbraw/zinc/31/53/26/259315326.db2.gz	UAWYPSWCSFLTLP-UHFFFAOYSA-N	-1	0	242.200	2.144	40	30		BEEBRM
CCCCCCCCOCCS(=O)(=O)[O-]	ZINC000001589373	342704681	/nfs/dbraw/zinc/70/46/81/342704681.db2.gz	QWFCFTJFXBTSRB-UHFFFAOYSA-N	-1	0	238.349	2.251	40	30		BEEBRM
N#Cc1c[n-]c2c(F)cc(F)cc2c1=O	ZINC000019434659	398313603	/nfs/dbraw/zinc/31/36/03/398313603.db2.gz	WKUWDEQTGJCPIY-UHFFFAOYSA-N	-1	0	206.151	2.090	40	30		BEEBRM
O=[N+]([O-])c1ccc2c(c1)/C(=N/[O-])CCC2	ZINC000017003566	343390563	/nfs/dbraw/zinc/39/05/63/343390563.db2.gz	VPBBNFCFLAHMSJ-ZHACJKMWSA-N	-1	0	206.201	2.109	40	30		BEEBRM
N#Cc1ccc(CC(=O)[O-])cc1C(F)(F)F	ZINC000205588285	343634424	/nfs/dbraw/zinc/63/44/24/343634424.db2.gz	IMGQXJRYBROSBO-UHFFFAOYSA-N	-1	0	229.157	2.204	40	30		BEEBRM
C[C@]12CC[C@H](C/C1=N\O)[C@@]2(C)CC(=O)[O-]	ZINC000072207271	344510962	/nfs/dbraw/zinc/51/09/62/344510962.db2.gz	LHDRQQPBWHWFTJ-MHWNVBLKSA-N	-1	0	211.261	2.118	40	30		BEEBRM
Cc1cc(C)c(C[C@@H](C#N)C(=O)[O-])c(C)c1	ZINC000585656363	345469252	/nfs/dbraw/zinc/46/92/52/345469252.db2.gz	ZNIIIOFIDRGUMG-NSHDSACASA-N	-1	0	217.268	2.379	40	30		BEEBRM
N#CCc1coc2ccc(C(=O)[O-])cc12	ZINC000085390126	188142911	/nfs/dbraw/zinc/14/29/11/188142911.db2.gz	LZCGGDZUFHPXIZ-UHFFFAOYSA-N	-1	0	201.181	2.197	40	30		BEEBRM
O=C([O-])c1ccc(N=NCC(F)(F)F)cc1	ZINC000005208169	182568188	/nfs/dbraw/zinc/56/81/88/182568188.db2.gz	VEMVEXLCUQSWPV-ACAGNQJTSA-N	-1	0	232.161	2.345	40	30		BEEBRM
[O-]/N=C/c1ccc(Br)cc1F	ZINC000002512503	383969958	/nfs/dbraw/zinc/96/99/58/383969958.db2.gz	DHBUKMPUUDCJTH-ONNFQVAWSA-N	-1	0	218.025	2.396	40	30		BEEBRM
O=C([O-])C1(c2ccccc2)CCC(=NO)CC1	ZINC000004692449	384076244	/nfs/dbraw/zinc/07/62/44/384076244.db2.gz	DZVGSXYKDOUSPX-UHFFFAOYSA-N	-1	0	233.267	2.413	40	30		BEEBRM
O=C([O-])/C=C\C(F)(F)C(F)(F)C(F)(F)F	ZINC000016159095	384453517	/nfs/dbraw/zinc/45/35/17/384453517.db2.gz	KRBNWYYINLFKND-UPHRSURJSA-N	-1	0	240.074	2.460	40	30		BEEBRM
O=C([O-])Cc1ccc(/N=C/c2ccncc2)cc1	ZINC000101814318	384502337	/nfs/dbraw/zinc/50/23/37/384502337.db2.gz	WKYJDUAGISFZET-MHWRWJLKSA-N	-1	0	240.262	2.459	40	30		BEEBRM
O=[N+]([O-])c1cc(/C=N/[O-])ccc1OC(F)F	ZINC000085397020	385162447	/nfs/dbraw/zinc/16/24/47/385162447.db2.gz	GJVSPGVPKHCZTN-NYYWCZLTSA-N	-1	0	232.142	2.004	40	30		BEEBRM
CC1=C2CCCC[C@@]2(C)C=C(C(=O)[O-])C1=O	ZINC000001714647	168090349	/nfs/dbraw/zinc/09/03/49/168090349.db2.gz	CKCKUYGNNBAVOH-ZDUSSCGKSA-N	-1	0	220.268	2.477	40	30		BEEBRM
O=C(C=N[O-])Nc1cc(Cl)ccc1Cl	ZINC000254398895	526318956	/nfs/dbraw/zinc/31/89/56/526318956.db2.gz	QHQMDDDKRFDIOT-UHFFFAOYSA-N	-1	0	233.054	2.392	40	30		BEEBRM
CN1C(=O)/C(=N\[O-])c2cc(Cl)cc(Cl)c21	ZINC000046084872	1171475156	/nfs/dbraw/zinc/47/51/56/1171475156.db2.gz	QKIRTVVNGDRMHY-GHXNOFRVSA-N	-1	0	245.065	2.148	40	30		BEEBRM
CCCCN1C(=O)/C(=N\[O-])c2cccc(C)c21	ZINC000046084795	1171475220	/nfs/dbraw/zinc/47/52/20/1171475220.db2.gz	JFJGMPADZYDEPJ-KAMYIIQDSA-N	-1	0	232.283	2.320	40	30		BEEBRM
Cc1ccc(C(=O)/C=C/C(=O)[O-])cc1C	ZINC000033513378	178369241	/nfs/dbraw/zinc/36/92/41/178369241.db2.gz	WKLVCCFVWXJZFO-AATRIKPKSA-N	-1	0	204.225	2.127	40	30		BEEBRM
Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])no1	ZINC000036182679	342814474	/nfs/dbraw/zinc/81/44/74/342814474.db2.gz	GHHBANVFFHKWMM-WUXMJOGZSA-N	-1	0	247.210	2.347	40	30		BEEBRM
N#C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-]	ZINC000585656333	345468559	/nfs/dbraw/zinc/46/85/59/345468559.db2.gz	VRTSYSLZQNRICM-MRVPVSSYSA-N	-1	0	243.184	2.472	40	30		BEEBRM
CCCCNC(=S)SCCC(=O)[O-]	ZINC000005782100	346630369	/nfs/dbraw/zinc/63/03/69/346630369.db2.gz	GSZYEBYJVHALQM-UHFFFAOYSA-N	-1	0	221.347	2.280	40	30		BEEBRM
C#C[C@@H](/C=C\C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000033364732	187372419	/nfs/dbraw/zinc/37/24/19/187372419.db2.gz	KDTMZPJUCMQOPB-NXSJDDFASA-N	-1	0	244.246	2.120	40	30		BEEBRM
CC(CCC(=O)[O-])N=Nc1ccccc1	ZINC000004536284	187410777	/nfs/dbraw/zinc/41/07/77/187410777.db2.gz	KBIUZPWRIZWXRB-XFXZXTDPSA-N	-1	0	206.245	2.339	40	30		BEEBRM
CC(=O)C(=C(C)[O-])C(=O)c1cccc([N+](=O)[O-])c1	ZINC000016136421	188105960	/nfs/dbraw/zinc/10/59/60/188105960.db2.gz	JCUJHFOZVNOFGO-YRNVUSSQSA-N	-1	0	249.222	2.199	40	30		BEEBRM
O=[N+]([O-])c1cccc(/C=N/c2ccncc2)c1[O-]	ZINC000005590414	353560893	/nfs/dbraw/zinc/56/08/93/353560893.db2.gz	RCIPTVAZQPHNCX-RIYZIHGNSA-N	-1	0	243.222	2.446	40	30		BEEBRM
N#CCCCOc1ccc(C(=O)[O-])cc1	ZINC000019273834	188531920	/nfs/dbraw/zinc/53/19/20/188531920.db2.gz	IWSHUAKEYWOPMA-UHFFFAOYSA-N	-1	0	205.213	2.067	40	30		BEEBRM
N#Cc1cc(Br)c(=O)[n-]c1C1CC1	ZINC000096510653	181081857	/nfs/dbraw/zinc/08/18/57/181081857.db2.gz	QZIFKMPNYCVHKV-UHFFFAOYSA-N	-1	0	239.072	2.299	40	30		BEEBRM
N#Cc1ccc(NCc2ccc(C(=O)[O-])o2)cc1	ZINC000008702203	181123789	/nfs/dbraw/zinc/12/37/89/181123789.db2.gz	PVPZNHBLTLQOOI-UHFFFAOYSA-N	-1	0	242.234	2.462	40	30		BEEBRM
C=CCn1c(OCC(C)C)n[n-]c1=S	ZINC000026505279	357159567	/nfs/dbraw/zinc/15/95/67/357159567.db2.gz	LRKDKWCBAHPPRT-UHFFFAOYSA-N	-1	0	213.306	2.161	40	30		BEEBRM
CS/C(=C/C(=O)c1ccccc1)C(=O)[O-]	ZINC000001743579	383933145	/nfs/dbraw/zinc/93/31/45/383933145.db2.gz	FRKNBINFSSWNCO-JXMROGBWSA-N	-1	0	222.265	2.201	40	30		BEEBRM
Cc1cc(C)c(C#CC(=O)[O-])c(C)c1C	ZINC000001651961	384431651	/nfs/dbraw/zinc/43/16/51/384431651.db2.gz	YTIHUUBKLCHORS-UHFFFAOYSA-N	-1	0	202.253	2.356	40	30		BEEBRM
COc1cc(Cl)cc(/C=N/[O-])c1OC	ZINC000140877527	384460824	/nfs/dbraw/zinc/46/08/24/384460824.db2.gz	IXTQHQGFBIHEMI-VZUCSPMQSA-N	-1	0	215.636	2.165	40	30		BEEBRM
O=C(/C=N\[O-])Nc1cc(Cl)ccc1Cl	ZINC000100468030	384643401	/nfs/dbraw/zinc/64/34/01/384643401.db2.gz	QHQMDDDKRFDIOT-WCIBSUBMSA-N	-1	0	233.054	2.392	40	30		BEEBRM
N#CCCCOc1cccc(C(=O)[O-])c1	ZINC000019273736	385179845	/nfs/dbraw/zinc/17/98/45/385179845.db2.gz	BASFOVJUGZKPIN-UHFFFAOYSA-N	-1	0	205.213	2.067	40	30		BEEBRM
Cc1cc(/C=N/OCC(=O)[O-])c(C)n1C(C)C	ZINC000226033004	386234702	/nfs/dbraw/zinc/23/47/02/386234702.db2.gz	CSKPVCNTEBFFRH-AWNIVKPZSA-N	-1	0	238.287	2.121	40	30		BEEBRM
O=C(/C=N\[O-])Nc1ccc2ccccc2c1	ZINC000017147524	386588389	/nfs/dbraw/zinc/58/83/89/386588389.db2.gz	ILGLRQPETIIUMV-JYRVWZFOSA-N	-1	0	214.224	2.238	40	30		BEEBRM
C=CCOc1c(C)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000225279531	166422376	/nfs/dbraw/zinc/42/23/76/166422376.db2.gz	OQUOQLSDMBRIBS-UHFFFAOYSA-N	-1	0	237.211	2.166	40	30		BEEBRM
[O-]N=Cc1ccc(OC(F)(F)F)cc1	ZINC000252470046	527643444	/nfs/dbraw/zinc/64/34/44/527643444.db2.gz	SFLMISFBFTUVTD-UHFFFAOYSA-N	-1	0	205.135	2.393	40	30		BEEBRM
CCCN1C(=O)/C(=N\[O-])c2cc(C)cc(C)c21	ZINC000046084943	1171474033	/nfs/dbraw/zinc/47/40/33/1171474033.db2.gz	MZJZUUFKGZZDHE-KAMYIIQDSA-N	-1	0	232.283	2.238	40	30		BEEBRM
CCCCN1c2ccc(C)cc2/C(=N/[O-])C1=O	ZINC000046085159	1171475616	/nfs/dbraw/zinc/47/56/16/1171475616.db2.gz	AWELQOMNYRJISC-OWBHPGMISA-N	-1	0	232.283	2.320	40	30		BEEBRM
O=C([O-])[C@@H]1Cc2ccccc2C2=CC(=O)CC[C@H]21	ZINC000001589401	342704633	/nfs/dbraw/zinc/70/46/33/342704633.db2.gz	GVJYVJPGGDBGQU-TZMCWYRMSA-N	-1	0	242.274	2.306	40	30		BEEBRM
O=C([O-])[C@H]1Cc2ccccc2C2=CC(=O)CC[C@H]21	ZINC000001589403	342704668	/nfs/dbraw/zinc/70/46/68/342704668.db2.gz	GVJYVJPGGDBGQU-OCCSQVGLSA-N	-1	0	242.274	2.306	40	30		BEEBRM
O=C([O-])c1ccc(/C=N/N=C/c2ccco2)cc1	ZINC000001709318	342710461	/nfs/dbraw/zinc/71/04/61/342710461.db2.gz	JBSXGDWEDYXFMP-VOMDNODZSA-N	-1	0	242.234	2.431	40	30		BEEBRM
O=C([O-])c1ccccc1/C=N\N=C/c1ccco1	ZINC000008637411	342801423	/nfs/dbraw/zinc/80/14/23/342801423.db2.gz	KNUFNKZHRRHAIH-SFGFDRCGSA-N	-1	0	242.234	2.431	40	30		BEEBRM
CC(=O)C(=N\[O-])/C(C)=N/C1CCCCC1	ZINC000006561892	342779389	/nfs/dbraw/zinc/77/93/89/342779389.db2.gz	DTLOZWTUVDIQEC-JERBJKNKSA-N	-1	0	210.277	2.199	40	30		BEEBRM
CCCCCCCC[C@@H](O)C#CC(=O)[O-]	ZINC000068562459	168654213	/nfs/dbraw/zinc/65/42/13/168654213.db2.gz	NMNRCZPYMZJJDO-LLVKDONJSA-N	-1	0	212.289	2.186	40	30		BEEBRM
N#CCCC/C(=N/[O-])C(=O)OCc1ccccc1	ZINC000104347388	188151464	/nfs/dbraw/zinc/15/14/64/188151464.db2.gz	FLXVDHAITYCIPW-QINSGFPZSA-N	-1	0	246.266	2.254	40	30		BEEBRM
C#CCSC(=S)[N-]Nc1ccccc1	ZINC000005500452	188225265	/nfs/dbraw/zinc/22/52/65/188225265.db2.gz	FZDUHRMEQYBZKZ-UHFFFAOYSA-N	-1	0	222.338	2.254	40	30		BEEBRM
C#CCOc1c(Cl)cc(F)cc1C(=O)[O-]	ZINC000225277560	188511689	/nfs/dbraw/zinc/51/16/89/188511689.db2.gz	LFUYQLYYNVXPKC-UHFFFAOYSA-N	-1	0	228.606	2.189	40	30		BEEBRM
N#C[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-]	ZINC000019730235	181055853	/nfs/dbraw/zinc/05/58/53/181055853.db2.gz	LGWFQRXQEDZFHW-MRVPVSSYSA-N	-1	0	209.632	2.107	40	30		BEEBRM
N#Cc1cc(C(F)(F)F)c(F)cc1[O-]	ZINC000238695102	181084789	/nfs/dbraw/zinc/08/47/89/181084789.db2.gz	OKZMWYSMLKIURF-UHFFFAOYSA-N	-1	0	205.110	2.422	40	30		BEEBRM
CS[C@H](C)C([O-])=C1C(=O)c2ccccc2C1=O	ZINC000002692939	371632272	/nfs/dbraw/zinc/63/22/72/371632272.db2.gz	WCXLLQDNYXOHJW-SSDOTTSWSA-N	-1	0	248.303	2.473	40	30		BEEBRM
C/C(=N/[O-])C(=O)c1cccc(Br)c1	ZINC000012495367	384323120	/nfs/dbraw/zinc/32/31/20/384323120.db2.gz	FIEKWZGCKWZJHQ-WDZFZDKYSA-N	-1	0	242.072	2.482	40	30		BEEBRM
CC(C)C[C@H](/N=C/c1ccccc1O)C(=O)[O-]	ZINC000022063011	384727421	/nfs/dbraw/zinc/72/74/21/384727421.db2.gz	HATBSGBCPLJYAR-KYJZABPNSA-N	-1	0	235.283	2.310	40	30		BEEBRM
C=C(Cl)COc1ccc(C(=O)[O-])cc1N	ZINC000072226456	385125061	/nfs/dbraw/zinc/12/50/61/385125061.db2.gz	VZIRNVWEPMKKCQ-UHFFFAOYSA-N	-1	0	227.647	2.098	40	30		BEEBRM
CCC(=O)C(C(=O)[O-])=C1SCCCS1	ZINC000062716051	388654821	/nfs/dbraw/zinc/65/48/21/388654821.db2.gz	KPAAVHQZZCBCJP-UHFFFAOYSA-N	-1	0	232.326	2.132	40	30		BEEBRM
C=CCOc1ccc(C(=O)[O-])cc1C(C)=O	ZINC000085390037	166423842	/nfs/dbraw/zinc/42/38/42/166423842.db2.gz	BOHRMFAVPGOUNT-UHFFFAOYSA-N	-1	0	220.224	2.152	40	30		BEEBRM
O=[N+]([O-])c1cccc(C=N[O-])c1Cl	ZINC000256081510	527384265	/nfs/dbraw/zinc/38/42/65/527384265.db2.gz	QYDRUMLZLJQLPX-UHFFFAOYSA-N	-1	0	200.581	2.056	40	30		BEEBRM
C=CCN1c2c(c(C)ccc2C)/C(=N/[O-])C1=O	ZINC000046085254	1171475046	/nfs/dbraw/zinc/47/50/46/1171475046.db2.gz	NFQBNWJALROCRX-KAMYIIQDSA-N	-1	0	230.267	2.014	40	30		BEEBRM
O=[N+]([O-])c1cccc(/C=N/c2cccnc2)c1[O-]	ZINC000005331275	342762252	/nfs/dbraw/zinc/76/22/52/342762252.db2.gz	AMFPSVRWLFXVLL-VGOFMYFVSA-N	-1	0	243.222	2.446	40	30		BEEBRM
O=C([O-])/C(Cc1ccc(Cl)cc1Cl)=N/O	ZINC000016921162	342917231	/nfs/dbraw/zinc/91/72/31/342917231.db2.gz	MWFZHPKGSYBDFA-XYOKQWHBSA-N	-1	0	248.065	2.451	40	30		BEEBRM
N#Cc1ccc([O-])c(Br)c1F	ZINC000258274413	344474757	/nfs/dbraw/zinc/47/47/57/344474757.db2.gz	VIGCVVJYYYCCQN-UHFFFAOYSA-N	-1	0	216.009	2.165	40	30		BEEBRM
Cc1ccc(C[C@H](C#N)C(=O)[O-])cc1C	ZINC000585656316	345468471	/nfs/dbraw/zinc/46/84/71/345468471.db2.gz	OYICRZZJIRTBCL-LLVKDONJSA-N	-1	0	203.241	2.070	40	30		BEEBRM
C=C(C)C(CCC#N)(CCC#N)C(=O)[O-]	ZINC000001609941	346459957	/nfs/dbraw/zinc/45/99/57/346459957.db2.gz	HVUFQXFHLCEARZ-UHFFFAOYSA-N	-1	0	206.245	2.241	40	30		BEEBRM
CCCCCCCC[C@H](NC(C)=O)C(=O)[O-]	ZINC000001570992	168654343	/nfs/dbraw/zinc/65/43/43/168654343.db2.gz	IFNBFNVQYOIJJC-NSHDSACASA-N	-1	0	229.320	2.326	40	30		BEEBRM
S=C([S-])N/N=C/c1ccc(Cl)cc1	ZINC000000097328	183312551	/nfs/dbraw/zinc/31/25/51/183312551.db2.gz	RLXDRDRCRANZRB-BJMVGYQFSA-N	-1	0	230.745	2.478	40	30		BEEBRM
C/C(=N/[O-])c1cccc2c1OC(F)(F)O2	ZINC000036467402	383901212	/nfs/dbraw/zinc/90/12/12/383901212.db2.gz	QRIQHOPKEGXRFX-XGICHPGQSA-N	-1	0	215.155	2.206	40	30		BEEBRM
COc1ccccc1C(=O)C(C(C)=O)=C(C)[O-]	ZINC000016136424	384452649	/nfs/dbraw/zinc/45/26/49/384452649.db2.gz	OZIJYKJLDBFEIQ-XYOKQWHBSA-N	-1	0	234.251	2.299	40	30		BEEBRM
CC(C)(C)S(=O)(=O)c1ccccc1/C=N/[O-]	ZINC000100079265	384616990	/nfs/dbraw/zinc/61/69/90/384616990.db2.gz	QVHKDPFFBKNVMM-XYOKQWHBSA-N	-1	0	241.312	2.067	40	30		BEEBRM
O=[N+]([O-])c1cccc(/C=N\[O-])c1Cl	ZINC000100378203	384638520	/nfs/dbraw/zinc/63/85/20/384638520.db2.gz	QYDRUMLZLJQLPX-WTKPLQERSA-N	-1	0	200.581	2.056	40	30		BEEBRM
CC1=NOC(=O)/C1=C\c1cc(Cl)ccc1O	ZINC000409079837	385470943	/nfs/dbraw/zinc/47/09/43/385470943.db2.gz	BQLKRJMEXJHULZ-UITAMQMPSA-N	-1	0	237.642	2.362	40	30		BEEBRM
Cn1cccc1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000409100001	385478104	/nfs/dbraw/zinc/47/81/04/385478104.db2.gz	PANDBEGGQBDCBR-NTEUORMPSA-N	-1	0	228.251	2.474	40	30		BEEBRM
Cn1cccc1/C=N/c1cccc(C(=O)[O-])c1	ZINC000409107857	385483165	/nfs/dbraw/zinc/48/31/65/385483165.db2.gz	RNSUEDAWFZATAA-NTEUORMPSA-N	-1	0	228.251	2.474	40	30		BEEBRM
N#CCc1cc(C#N)cc(Br)c1[O-]	ZINC000225724497	388843093	/nfs/dbraw/zinc/84/30/93/388843093.db2.gz	SBMQPJZBEIFAPN-UHFFFAOYSA-N	-1	0	237.056	2.092	40	30		BEEBRM
Cn1cccc1/C=N\c1ccc(O)c(C(=O)[O-])c1	ZINC000409103239	134819289	/nfs/dbraw/zinc/81/92/89/134819289.db2.gz	VNHCMVPTUXONHO-ZSOIEALJSA-N	-1	0	244.250	2.180	40	30		BEEBRM
CC1=C2CCCC[C@]2(C)C=C(C(=O)[O-])C1=O	ZINC000005080694	168090348	/nfs/dbraw/zinc/09/03/48/168090348.db2.gz	CKCKUYGNNBAVOH-CYBMUJFWSA-N	-1	0	220.268	2.477	40	30		BEEBRM
C[C@H](Sc1nc2c(cc1C#N)CCC2)C(=O)[O-]	ZINC000004451121	177030271	/nfs/dbraw/zinc/03/02/71/177030271.db2.gz	LSHLXUATXFAKOS-ZETCQYMHSA-N	-1	0	248.307	2.007	40	30		BEEBRM
CC(CCC(=O)[O-])N=Nc1ccccc1	ZINC000254396965	520148653	/nfs/dbraw/zinc/14/86/53/520148653.db2.gz	KBIUZPWRIZWXRB-UHFFFAOYSA-N	-1	0	206.245	2.339	40	30		BEEBRM
C=CCN1c2c(cc(C)cc2C)/C(=N/[O-])C1=O	ZINC000046084942	1171475240	/nfs/dbraw/zinc/47/52/40/1171475240.db2.gz	ZJJHXUDXOZQRJG-KAMYIIQDSA-N	-1	0	230.267	2.014	40	30		BEEBRM
O=C([O-])c1ccccc1/N=C\c1ccc[nH]1	ZINC000008642468	342801433	/nfs/dbraw/zinc/80/14/33/342801433.db2.gz	JLWPWTUWPIVQLD-ZSOIEALJSA-N	-1	0	214.224	2.464	40	30		BEEBRM
N#CC=C([O-])N=Cc1ccc(O)c2ccccc12	ZINC000004412224	181032721	/nfs/dbraw/zinc/03/27/21/181032721.db2.gz	DVGCFJOXZSCBOJ-CXUHLZMHSA-N	-1	0	238.246	2.405	40	30		BEEBRM
N#CCc1cc(Br)c([O-])cc1F	ZINC000097446546	181047500	/nfs/dbraw/zinc/04/75/00/181047500.db2.gz	AKAWNWYHLIPMHV-UHFFFAOYSA-N	-1	0	230.036	2.360	40	30		BEEBRM
N#Cc1cccn1-c1ccccc1C(=O)[O-]	ZINC000123988600	181150755	/nfs/dbraw/zinc/15/07/55/181150755.db2.gz	DQWJLTOXPLOEKL-UHFFFAOYSA-N	-1	0	212.208	2.047	40	30		BEEBRM
O=C(C=C([O-])c1nccs1)C(F)(F)F	ZINC000004277629	181829505	/nfs/dbraw/zinc/82/95/05/181829505.db2.gz	PAXWCDSEDVWDFW-ARJAWSKDSA-N	-1	0	223.175	2.173	40	30		BEEBRM
CC/C(=N\OCc1ccccc1)C(=O)[O-]	ZINC000017149454	384482491	/nfs/dbraw/zinc/48/24/91/384482491.db2.gz	XMAAOPAZUBODOG-ZRDIBKRKSA-N	-1	0	207.229	2.054	40	30		BEEBRM
CC(C)(C)c1cc(C#N)c([O-])c([N+](=O)[O-])c1	ZINC000141074582	384664652	/nfs/dbraw/zinc/66/46/52/384664652.db2.gz	DGANIIOMQVHFAC-UHFFFAOYSA-N	-1	0	220.228	2.470	40	30		BEEBRM
Cc1ccc(C)c(C(=O)CC(=O)C(=O)[O-])c1	ZINC000100487018	384643377	/nfs/dbraw/zinc/64/33/77/384643377.db2.gz	VKYDFGLXUFENSO-WDZFZDKYSA-N	-1	0	220.224	2.013	40	30		BEEBRM
CSC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000104123159	384802701	/nfs/dbraw/zinc/80/27/01/384802701.db2.gz	FYHDHOWZLRTSST-UHFFFAOYSA-N	-1	0	220.249	2.198	40	30		BEEBRM
C=CCOc1c2cccn2ccc1C(=O)[O-]	ZINC000217657479	388378394	/nfs/dbraw/zinc/37/83/94/388378394.db2.gz	BBDHJCRJTKECGT-UHFFFAOYSA-N	-1	0	217.224	2.202	40	30		BEEBRM
CC1=CC(=O)[C@H](CCC(=O)[O-])C(C)(C)C1	ZINC000001737244	168092802	/nfs/dbraw/zinc/09/28/02/168092802.db2.gz	BRVHQZQCFBSCGS-VIFPVBQESA-N	-1	0	210.273	2.413	40	30		BEEBRM
CC1=CC(=O)[C@@H](CCC(=O)[O-])C(C)(C)C1	ZINC000005328568	168092981	/nfs/dbraw/zinc/09/29/81/168092981.db2.gz	BRVHQZQCFBSCGS-SECBINFHSA-N	-1	0	210.273	2.413	40	30		BEEBRM
COc1ccc2c(c1)CCC(C=O)=C2[O-]	ZINC000100515002	175208115	/nfs/dbraw/zinc/20/81/15/175208115.db2.gz	DLZNDSMSFGMMHU-VQHVLOKHSA-N	-1	0	204.225	2.266	40	30		BEEBRM
CCCCN1c2cccc(C)c2/C(=N/[O-])C1=O	ZINC000046085144	1171473535	/nfs/dbraw/zinc/47/35/35/1171473535.db2.gz	WCMXTHMJDOBYNG-OWBHPGMISA-N	-1	0	232.283	2.320	40	30		BEEBRM
Cc1c(/C=N/O)nc2ccccc2c1C(=O)[O-]	ZINC000001736604	342711742	/nfs/dbraw/zinc/71/17/42/342711742.db2.gz	BAIMCWDOBUSFEC-AWNIVKPZSA-N	-1	0	230.223	2.050	40	30		BEEBRM
N#Cc1c(=O)[n-]cc(C=O)c1-c1ccccc1	ZINC000004861727	344746048	/nfs/dbraw/zinc/74/60/48/344746048.db2.gz	AGLZRROCTXXWCI-UHFFFAOYSA-N	-1	0	224.219	2.138	40	30		BEEBRM
CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/C(=O)[O-]	ZINC000039738106	188110445	/nfs/dbraw/zinc/11/04/45/188110445.db2.gz	UVBOLVXQLDACCM-MIQWXCGESA-N	-1	0	208.257	2.023	40	30		BEEBRM
C=C[C@H](C)OC(=O)C=C([O-])c1ccccc1	ZINC000001716733	188226610	/nfs/dbraw/zinc/22/66/10/188226610.db2.gz	NGRKZOSJHLRNIY-JTQLQIEISA-N	-1	0	218.252	2.377	40	30		BEEBRM
N#Cc1cc(C#N)c(-c2ccccc2)[n-]c1=O	ZINC000071254889	181082917	/nfs/dbraw/zinc/08/29/17/181082917.db2.gz	MMGGCMXNKYLWPU-UHFFFAOYSA-N	-1	0	221.219	2.198	40	30		BEEBRM
N#Cc1ccc(Br)c(F)c1[O-]	ZINC000238721394	181096921	/nfs/dbraw/zinc/09/69/21/181096921.db2.gz	PLHIHAKUOQAJFL-UHFFFAOYSA-N	-1	0	216.009	2.165	40	30		BEEBRM
NC1=C([O-])c2cccc3cccc(c32)C1=O	ZINC000100294254	181338347	/nfs/dbraw/zinc/33/83/47/181338347.db2.gz	LFWCWFKXKIEFLZ-UHFFFAOYSA-N	-1	0	211.220	2.221	40	30		BEEBRM
O=C([O-])c1ccccc1/C=N/N=C\c1ccco1	ZINC000016919288	182581454	/nfs/dbraw/zinc/58/14/54/182581454.db2.gz	KNUFNKZHRRHAIH-YVKOIJOCSA-N	-1	0	242.234	2.431	40	30		BEEBRM
CCCCN1c2ccccc2/C(=N/[O-])C1=O	ZINC000100128854	384618729	/nfs/dbraw/zinc/61/87/29/384618729.db2.gz	VTDYYEHUKNYOKE-QBFSEMIESA-N	-1	0	218.256	2.012	40	30		BEEBRM
C=CCSc1ccc(C(=O)[O-])c(C)n1	ZINC000218266312	385895760	/nfs/dbraw/zinc/89/57/60/385895760.db2.gz	CFNHGWKDXFCOGF-UHFFFAOYSA-N	-1	0	209.270	2.366	40	30		BEEBRM
O=C([O-])c1cc(C#Cc2ccccc2)ccn1	ZINC000098175362	386681026	/nfs/dbraw/zinc/68/10/26/386681026.db2.gz	YONZNGCOEJUUNI-UHFFFAOYSA-N	-1	0	223.231	2.180	40	30		BEEBRM
N#CC(C#N)=C([O-])c1ccc(Br)cc1	ZINC000088329579	386965165	/nfs/dbraw/zinc/96/51/65/386965165.db2.gz	CHEOESWYWGVGDX-UHFFFAOYSA-N	-1	0	249.067	2.295	40	30		BEEBRM
Cc1ccc(C(=O)[O-])cc1-n1cccc1C#N	ZINC000223742126	387199163	/nfs/dbraw/zinc/19/91/63/387199163.db2.gz	JKANXCGMFNLPNE-UHFFFAOYSA-N	-1	0	226.235	2.356	40	30		BEEBRM
[O-]/N=C/c1ccc(Br)c(F)c1	ZINC000100475611	387852488	/nfs/dbraw/zinc/85/24/88/387852488.db2.gz	BWRQWJFKAYMQSH-ONNFQVAWSA-N	-1	0	218.025	2.396	40	30		BEEBRM
C#CCOc1ccc(/C=C/C(=O)[O-])cc1OCC	ZINC000006595595	134865819	/nfs/dbraw/zinc/86/58/19/134865819.db2.gz	HPIONSQFGNSPIF-SOFGYWHQSA-N	-1	0	246.262	2.195	40	30		BEEBRM
COc1cccc(/C(Cl)=N/[O-])c1OC	ZINC000226099379	175239886	/nfs/dbraw/zinc/23/98/86/175239886.db2.gz	OSUNXCDPHNBUCZ-LUAWRHEFSA-N	-1	0	215.636	2.078	40	30		BEEBRM