smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccco1)c1cc(Cl)c(Cl)cc1[O-]	ZINC000008048296	170316261	/nfs/dbraw/zinc/31/62/61/170316261.db2.gz	FQGCROLZDPMSSX-ONEGZZNKSA-N	-1	0	283.110	4.188	50	30		CIEARM
CC(C)C1=C([O-])c2ccc3c(c2C(=O)C1=O)CCCC3(C)C	ZINC000072111477	176317548	/nfs/dbraw/zinc/31/75/48/176317548.db2.gz	BIDSIGUBHQOWEC-UHFFFAOYSA-N	-1	0	298.382	4.148	50	30		CIEARM
CCCCC#CC#CCCCCCCCCC(=O)[O-]	ZINC000002512188	566903561	/nfs/dbraw/zinc/90/35/61/566903561.db2.gz	CLTRJQSBWDSZHN-UHFFFAOYSA-N	-1	0	262.393	4.389	50	30		CIEARM
CCCCCCCCCCCCOC(=O)CCC(=O)[O-]	ZINC000059909457	566915529	/nfs/dbraw/zinc/91/55/29/566915529.db2.gz	LWYAUHJRUCQFCX-UHFFFAOYSA-N	-1	0	286.412	4.315	50	30		CIEARM
CC(C)(C)c1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1	ZINC000003909570	567181744	/nfs/dbraw/zinc/18/17/44/567181744.db2.gz	GAUVTANYBPNLLZ-XDHOZWIPSA-N	-1	0	296.370	4.128	50	30		CIEARM
C=C(C[C@@H](Cc1ccccc1)C(=O)[O-])c1ccccc1	ZINC000004029160	567185757	/nfs/dbraw/zinc/18/57/57/567185757.db2.gz	XXOHUPMQAJBCRI-KRWDZBQOSA-N	-1	0	266.340	4.033	50	30		CIEARM
N#Cc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000000046259	567816979	/nfs/dbraw/zinc/81/69/79/567816979.db2.gz	LUOVJHHSWSYMDD-QGMBQPNBSA-N	-1	0	291.137	4.321	50	30		CIEARM
C#C[C@H]1CCCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000004390416	567857470	/nfs/dbraw/zinc/85/74/70/567857470.db2.gz	ANXUIZRHXOAZJA-GHEVOSPTSA-N	-1	0	296.197	4.310	50	30		CIEARM
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])nc1	ZINC000013126364	567865381	/nfs/dbraw/zinc/86/53/81/567865381.db2.gz	YUVOFHUAXDLFBA-REZTVBANSA-N	-1	0	281.142	4.153	50	30		CIEARM
[O-]/N=C(\CSc1ccc(Cl)cc1)c1ccccc1	ZINC000100467704	567927230	/nfs/dbraw/zinc/92/72/30/567927230.db2.gz	UCXOPFQTWGQGFY-JQIJEIRASA-N	-1	0	277.776	4.311	50	30		CIEARM
CCCCCCCCCCC(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000095686736	567136608	/nfs/dbraw/zinc/13/66/08/567136608.db2.gz	FNODQQCNTXLJIR-UHFFFAOYSA-N	-1	0	279.380	4.426	50	30		CIEARM
C=C(C[C@H](Cc1ccccc1)C(=O)[O-])c1ccccc1	ZINC000004029161	567183927	/nfs/dbraw/zinc/18/39/27/567183927.db2.gz	XXOHUPMQAJBCRI-QGZVFWFLSA-N	-1	0	266.340	4.033	50	30		CIEARM
Cc1c(Cl)cccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000000273937	567823586	/nfs/dbraw/zinc/82/35/86/567823586.db2.gz	YPXQQBAIYPQZNZ-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM
CN(N=Cc1sc2ccccc2c1[O-])c1ccccc1	ZINC000004154943	567856000	/nfs/dbraw/zinc/85/60/00/567856000.db2.gz	IJDRJSKUVBLQOG-GZTJUZNOSA-N	-1	0	282.368	4.077	50	30		CIEARM
CCCCCCCCCCCCCC(=O)N[C@H](C)C(=O)[O-]	ZINC000100047394	567910406	/nfs/dbraw/zinc/91/04/06/567910406.db2.gz	XDOBXTLSTUFRRP-OAHLLOKOSA-N	-1	0	299.455	4.277	50	30		CIEARM
O=C([O-])c1ccc(/C=N/c2cccc3ccccc32)cc1	ZINC000000325279	567926713	/nfs/dbraw/zinc/92/67/13/567926713.db2.gz	UCDJEHKAYIOQKQ-XDHOZWIPSA-N	-1	0	275.307	4.289	50	30		CIEARM
O=C(C=Cc1c[nH]c2ccccc12)C=C([O-])c1ccccc1	ZINC000100795811	567928936	/nfs/dbraw/zinc/92/89/36/567928936.db2.gz	JHVGLDQLTODGLI-XXGYVPGJSA-N	-1	0	289.334	4.349	50	30		CIEARM
C#Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000095626607	185015867	/nfs/dbraw/zinc/01/58/67/185015867.db2.gz	NFCUIGOZOMHBSW-GIJQJNRQSA-N	-1	0	290.149	4.431	50	30		CIEARM
Cc1ccsc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000007141242	170268679	/nfs/dbraw/zinc/26/86/79/170268679.db2.gz	ZNVODTZZGHSAGN-SNAWJCMRSA-N	-1	0	278.760	4.312	50	30		CIEARM
CCCCCCCCCCSc1nnc(C)c(=O)[n-]1	ZINC000097957240	528126359	/nfs/dbraw/zinc/12/63/59/528126359.db2.gz	UXHWSFZAOFGFBB-UHFFFAOYSA-N	-1	0	283.441	4.118	50	30		CIEARM
CCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-]	ZINC000100051646	566877793	/nfs/dbraw/zinc/87/77/93/566877793.db2.gz	NGOZDSMNMIRDFP-UHFFFAOYSA-N	-1	0	299.455	4.231	50	30		CIEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2cccc3ccccc32)c1	ZINC000000061583	567817462	/nfs/dbraw/zinc/81/74/62/567817462.db2.gz	QDWCXYVLYFJRSK-WOJGMQOQSA-N	-1	0	292.294	4.204	50	30		CIEARM
CCCCCCCCCCCCCS(=O)(=O)[O-]	ZINC000001625794	567839702	/nfs/dbraw/zinc/83/97/02/567839702.db2.gz	GTSMGKYOGFOSAR-UHFFFAOYSA-N	-1	0	264.431	4.185	50	30		CIEARM
Cc1cc([O-])c(C(=O)/C=C/c2ccccc2)cc1Cl	ZINC000004252522	567856292	/nfs/dbraw/zinc/85/62/92/567856292.db2.gz	LXIAAMCDAHDXEY-BQYQJAHWSA-N	-1	0	272.731	4.250	50	30		CIEARM
O=[N+]([O-])c1cccc(/C=N/c2ccc3ccccc3c2)c1[O-]	ZINC000004689412	567859317	/nfs/dbraw/zinc/85/93/17/567859317.db2.gz	MHATXZSFCIEHCR-WOJGMQOQSA-N	-1	0	292.294	4.204	50	30		CIEARM
C#Cc1cccc(/N=C/c2cc(Cl)cc(C)c2O)c1	ZINC000017129763	567875069	/nfs/dbraw/zinc/87/50/69/567875069.db2.gz	UDDLQWZLZVOSHE-VCHYOVAHSA-N	-1	0	269.731	4.086	50	30		CIEARM
CSc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000028713570	567884047	/nfs/dbraw/zinc/88/40/47/567884047.db2.gz	ILBUFDBWHFQAKZ-DHZHZOJOSA-N	-1	0	270.353	4.010	50	30		CIEARM
CCCCCCCCCCc1c(C)nc(C)[nH]c1=O	ZINC000059729422	567896607	/nfs/dbraw/zinc/89/66/07/567896607.db2.gz	NSWAMROVEOOFGX-UHFFFAOYSA-N	-1	0	264.413	4.070	50	30		CIEARM
Cc1cc(C)c(O)c(/N=C/c2cc(Cl)ccc2O)c1	ZINC000000272666	567926246	/nfs/dbraw/zinc/92/62/46/567926246.db2.gz	WAQLEZKKPPHTQB-CAOOACKPSA-N	-1	0	275.735	4.119	50	30		CIEARM
CCC1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000005417502	170096667	/nfs/dbraw/zinc/09/66/67/170096667.db2.gz	JWOMWHBCYRDBPN-UHFFFAOYSA-N	-1	0	294.782	4.406	50	30		CIEARM
O=C1C(=O)C(CCC[C@@H]2CC=CCC2)=C([O-])c2ccccc21	ZINC000000402471	567055913	/nfs/dbraw/zinc/05/59/13/567055913.db2.gz	OUZGKDMYPJCZEZ-CYBMUJFWSA-N	-1	0	296.366	4.404	50	30		CIEARM
O=C([O-])c1ccc(C=Nc2cccc3ccccc32)cc1	ZINC000252629249	567069637	/nfs/dbraw/zinc/06/96/37/567069637.db2.gz	UCDJEHKAYIOQKQ-UHFFFAOYSA-N	-1	0	275.307	4.289	50	30		CIEARM
O=C(/C=C/c1ccccc1Cl)c1cc(F)ccc1[O-]	ZINC000004279011	567191890	/nfs/dbraw/zinc/19/18/90/567191890.db2.gz	STLSPFHJUYEIBD-FNORWQNLSA-N	-1	0	276.694	4.081	50	30		CIEARM
Cc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1[O-]	ZINC000072333042	567894839	/nfs/dbraw/zinc/89/48/39/567894839.db2.gz	PZVFIOMYGOGDRQ-SOFGYWHQSA-N	-1	0	272.731	4.250	50	30		CIEARM
[O-]/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	ZINC000100893783	567914188	/nfs/dbraw/zinc/91/41/88/567914188.db2.gz	WTJCHZPEHFPZBV-CAOOACKPSA-N	-1	0	296.153	4.381	50	30		CIEARM
O=C(/C=C/c1cc2ccccc2o1)c1ccccc1[O-]	ZINC000003898706	567945784	/nfs/dbraw/zinc/94/57/84/567945784.db2.gz	UAXZOPMIDQFURM-MDZDMXLPSA-N	-1	0	264.280	4.035	50	30		CIEARM
[O-]N=C1C[C@H](c2ccc(Cl)cc2)Oc2ccccc21	ZINC000254763940	570301056	/nfs/dbraw/zinc/30/10/56/570301056.db2.gz	LNIUSMGRSBSFKY-OAHLLOKOSA-N	-1	0	273.719	4.042	50	30		CIEARM
CC(C)c1ccc(/C=N/c2cccc(C(=O)[O-])c2)cc1	ZINC000000492987	169655503	/nfs/dbraw/zinc/65/55/03/169655503.db2.gz	IABGPYIRUZFPGV-WOJGMQOQSA-N	-1	0	267.328	4.259	50	30		CIEARM
O=C([O-])c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1	ZINC000004794941	170018564	/nfs/dbraw/zinc/01/85/64/170018564.db2.gz	FFSUIMOLMFMASL-CAOOACKPSA-N	-1	0	294.137	4.442	50	30		CIEARM
O=C(/C=C/c1ccccc1)c1ccc2ccccc2c1[O-]	ZINC000004836747	170026615	/nfs/dbraw/zinc/02/66/15/170026615.db2.gz	SDJKQYUTPDOVQI-JLHYYAGUSA-N	-1	0	274.319	4.442	50	30		CIEARM
[O-]/N=C1\C[C@H](c2ccccc2)Oc2ccc(Cl)cc21	ZINC000006061977	170173195	/nfs/dbraw/zinc/17/31/95/170173195.db2.gz	BXFSXGPNJNTWDP-OVGFGYAMSA-N	-1	0	273.719	4.042	50	30		CIEARM
CCCCCCCCOc1ccc(C(=O)[O-])cc1	ZINC000001726631	520042740	/nfs/dbraw/zinc/04/27/40/520042740.db2.gz	IALWCYFULVHLEC-UHFFFAOYSA-N	-1	0	250.338	4.124	50	30		CIEARM
CCCCCCCC[P@@](=O)(CC(=O)[O-])c1ccccc1	ZINC000003099518	520047571	/nfs/dbraw/zinc/04/75/71/520047571.db2.gz	FLUXWPQBGCCZTL-HXUWFJFHSA-N	-1	0	296.347	4.120	50	30		CIEARM
CCCCCCCCOc1ccc(C(=O)[O-])cc1F	ZINC000001898645	528132939	/nfs/dbraw/zinc/13/29/39/528132939.db2.gz	SQVFTDZEUGEJTQ-UHFFFAOYSA-N	-1	0	268.328	4.263	50	30		CIEARM
Oc1ccc(Br)cc1/C=N/c1ccc(F)cc1	ZINC000000094623	567817934	/nfs/dbraw/zinc/81/79/34/567817934.db2.gz	GSSURLNEDJAYKV-LZYBPNLTSA-N	-1	0	294.123	4.044	50	30		CIEARM
C=CCCCCCCCOc1ccc(C(=O)[O-])cc1	ZINC000002383805	566901877	/nfs/dbraw/zinc/90/18/77/566901877.db2.gz	MSNHHYMRHTVIPZ-UHFFFAOYSA-N	-1	0	262.349	4.290	50	30		CIEARM
O=C([O-])c1cccc(/N=C/c2ccc(Cl)cc2Cl)c1	ZINC000000484972	566910317	/nfs/dbraw/zinc/91/03/17/566910317.db2.gz	FYKYJJPOXXPSCD-CAOOACKPSA-N	-1	0	294.137	4.442	50	30		CIEARM
CC(C)c1ccc(/C=C/C(=O)c2ccccc2[O-])cc1	ZINC000004280575	567856539	/nfs/dbraw/zinc/85/65/39/567856539.db2.gz	SONSBCPVVSAMDY-FMIVXFBMSA-N	-1	0	266.340	4.412	50	30		CIEARM
Cc1ccccc1N=NC(=N[N-]c1ccccc1C)[N+](=O)[O-]	ZINC000254836907	567860376	/nfs/dbraw/zinc/86/03/76/567860376.db2.gz	XVYXOGGMOVXHFY-UHFFFAOYSA-N	-1	0	297.318	4.047	50	30		CIEARM
[O-]/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000100123049	567915781	/nfs/dbraw/zinc/91/57/81/567915781.db2.gz	RYRUJBVKIOISNY-MKMNVTDBSA-N	-1	0	256.088	4.062	50	30		CIEARM
[O-]/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000100615064	567936756	/nfs/dbraw/zinc/93/67/56/567936756.db2.gz	DNKJISDWVCAADD-NSIKDUERSA-N	-1	0	256.088	4.062	50	30		CIEARM
N#Cc1ccccc1N=Cc1c(O)ccc2ccccc12	ZINC000252463086	570270248	/nfs/dbraw/zinc/27/02/48/570270248.db2.gz	YUIYFCPUVIASRH-UHFFFAOYSA-N	-1	0	272.307	4.168	50	30		CIEARM
Cc1ccc([C@H]2C[C@@H]2/C(=N/O)c2ccc(F)cc2)cc1	ZINC000013132587	570360518	/nfs/dbraw/zinc/36/05/18/570360518.db2.gz	NMEWOZJNPFNNIR-WMYGCIETSA-N	-1	0	269.319	4.116	50	30		CIEARM
Cc1csc(C(C#N)=C([O-])c2cc3ccccc3s2)n1	ZINC000041518931	570403979	/nfs/dbraw/zinc/40/39/79/570403979.db2.gz	HONXSKSUMKLWPA-NSHDSACASA-N	-1	0	298.392	4.156	50	30		CIEARM
CCCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000002080302	260008106	/nfs/dbraw/zinc/00/81/06/260008106.db2.gz	YLVIBFPYEJFLTO-ZDUSSCGKSA-N	-1	0	292.375	4.291	50	30		CIEARM
O=C([O-])c1ccc(N=Cc2c(Cl)cccc2Cl)cc1	ZINC000254814367	526375101	/nfs/dbraw/zinc/37/51/01/526375101.db2.gz	BCCLSFSWWHQEFO-UHFFFAOYSA-N	-1	0	294.137	4.442	50	30		CIEARM
CCCCCCCc1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000002022832	566906678	/nfs/dbraw/zinc/90/66/78/566906678.db2.gz	LRAJLMGRXDVQNP-UHFFFAOYSA-N	-1	0	276.376	4.247	50	30		CIEARM
[O-]N=C1C[C@@H](c2ccc(Cl)cc2)Oc2ccccc21	ZINC000254763938	567158897	/nfs/dbraw/zinc/15/88/97/567158897.db2.gz	LNIUSMGRSBSFKY-HNNXBMFYSA-N	-1	0	273.719	4.042	50	30		CIEARM
Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000004252520	567191394	/nfs/dbraw/zinc/19/13/94/567191394.db2.gz	WJDZYSGZLCUOCA-SOFGYWHQSA-N	-1	0	272.731	4.250	50	30		CIEARM
O=C([O-])c1ccccc1/N=C/c1cccc2ccccc12	ZINC000000100265	567818221	/nfs/dbraw/zinc/81/82/21/567818221.db2.gz	GBIOLTWJVPOZEV-XDHOZWIPSA-N	-1	0	275.307	4.289	50	30		CIEARM
Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2[O-])cc1	ZINC000004252516	567856115	/nfs/dbraw/zinc/85/61/15/567856115.db2.gz	GXISIVVTKRLVGC-MDZDMXLPSA-N	-1	0	272.731	4.250	50	30		CIEARM
C#C[C@@H]1CCCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000004390415	567857416	/nfs/dbraw/zinc/85/74/16/567857416.db2.gz	ANXUIZRHXOAZJA-UHAPALRBSA-N	-1	0	296.197	4.310	50	30		CIEARM
C/C(=N\c1ccc(Br)cc1)c1ccccc1O	ZINC000004567319	567858098	/nfs/dbraw/zinc/85/80/98/567858098.db2.gz	FWESZTWIGWLWBB-MHWRWJLKSA-N	-1	0	290.160	4.295	50	30		CIEARM
Cc1cc([N+](=O)[O-])cc(/N=C/c2ccc(Cl)cc2)c1[O-]	ZINC000095482075	567909418	/nfs/dbraw/zinc/90/94/18/567909418.db2.gz	WECWVGAFTYYPKN-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM
N#Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000100003589	567911647	/nfs/dbraw/zinc/91/16/47/567911647.db2.gz	MOFKJBNJSRNGLK-QGMBQPNBSA-N	-1	0	291.137	4.321	50	30		CIEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccccc1	ZINC000100034082	567911970	/nfs/dbraw/zinc/91/19/70/567911970.db2.gz	KPZGIZUDIQQRIK-LZYBPNLTSA-N	-1	0	266.127	4.450	50	30		CIEARM
N#Cc1c(=O)[n-]c(-c2ccc(Cl)cc2)cc1-c1ccco1	ZINC000000130549	570386806	/nfs/dbraw/zinc/38/68/06/570386806.db2.gz	SMCWCABWZCTFEL-UHFFFAOYSA-N	-1	0	296.713	4.239	50	30		CIEARM
N#Cc1c(=O)[n-]c(-c2ccc(F)cc2)cc1-c1cccs1	ZINC000000131415	570386820	/nfs/dbraw/zinc/38/68/20/570386820.db2.gz	RVHGXNSHNZXNLF-UHFFFAOYSA-N	-1	0	296.326	4.193	50	30		CIEARM
CCCCCCCCCOc1ccc(C#CC(=O)[O-])cc1	ZINC000002066340	260008181	/nfs/dbraw/zinc/00/81/81/260008181.db2.gz	KATDYHPULPASCS-UHFFFAOYSA-N	-1	0	288.387	4.252	50	30		CIEARM
CCCCCCCCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000002147696	519973743	/nfs/dbraw/zinc/97/37/43/519973743.db2.gz	FDGYDHRKGHQSMR-UHFFFAOYSA-N	-1	0	277.364	4.074	50	30		CIEARM
CSc1ccccc1[N-]C(=S)NC1CCCCC1	ZINC000013684950	567893909	/nfs/dbraw/zinc/89/39/09/567893909.db2.gz	OMGWTYQQOSNJHG-UHFFFAOYSA-N	-1	0	280.462	4.439	50	30		CIEARM
Cc1nc2cc(N=Cc3ccccc3O)ccc2s1	ZINC000257346497	566839452	/nfs/dbraw/zinc/83/94/52/566839452.db2.gz	LQQMJKWUGOYNKX-UHFFFAOYSA-N	-1	0	268.341	4.061	50	30		CIEARM
CN(N=Cc1sc2ccccc2c1[O-])c1ccccc1	ZINC000242522149	566967937	/nfs/dbraw/zinc/96/79/37/566967937.db2.gz	IJDRJSKUVBLQOG-UHFFFAOYSA-N	-1	0	282.368	4.077	50	30		CIEARM
CCCCc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000001882307	566970072	/nfs/dbraw/zinc/97/00/72/566970072.db2.gz	QLWXQKBNSDUZNI-LDADJPATSA-N	-1	0	298.342	4.394	50	30		CIEARM
CC(C)(C)c1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1	ZINC000003909573	567182648	/nfs/dbraw/zinc/18/26/48/567182648.db2.gz	LMOJKIYTTKVIHC-XDHOZWIPSA-N	-1	0	296.370	4.128	50	30		CIEARM
CC(C)CCCCC1=C([O-])c2ccccc2C(=O)C1=O	ZINC000004552426	567858007	/nfs/dbraw/zinc/85/80/07/567858007.db2.gz	APAMNDYGHJWMQU-UHFFFAOYSA-N	-1	0	272.344	4.094	50	30		CIEARM
CC(=NNc1ccccc1)c1ccc2ccccc2c1O	ZINC000012362629	567862693	/nfs/dbraw/zinc/86/26/93/567862693.db2.gz	RJJCETRZNMIMOF-CPNJWEJPSA-N	-1	0	276.339	4.382	50	30		CIEARM
CCCCCCCCCCCCCOS(=O)(=O)[O-]	ZINC000043079016	567892132	/nfs/dbraw/zinc/89/21/32/567892132.db2.gz	QTUIJRIDZOSXHJ-UHFFFAOYSA-N	-1	0	280.430	4.117	50	30		CIEARM
CCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)[O-]	ZINC000100047388	570257514	/nfs/dbraw/zinc/25/75/14/570257514.db2.gz	XDOBXTLSTUFRRP-HNNXBMFYSA-N	-1	0	299.455	4.277	50	30		CIEARM
CCSc1sc(C(=O)[O-])c(-c2cccs2)c1C#N	ZINC000000095851	570386515	/nfs/dbraw/zinc/38/65/15/570386515.db2.gz	MLFPLZGGOYOQQM-UHFFFAOYSA-N	-1	0	295.410	4.158	50	30		CIEARM
CC(C)c1ccc(/C=N/c2ccc(CC(=O)[O-])cc2)cc1	ZINC000002546381	169806568	/nfs/dbraw/zinc/80/65/68/169806568.db2.gz	SMCANMPDXCHZEE-XDHOZWIPSA-N	-1	0	281.355	4.188	50	30		CIEARM
O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)ccc1[O-]	ZINC000004865542	170032581	/nfs/dbraw/zinc/03/25/81/170032581.db2.gz	LVBAJUXKSAGDDR-XVNBXDOJSA-N	-1	0	276.694	4.081	50	30		CIEARM
CCCCCCCCCc1ccc(OCC(=O)[O-])cc1	ZINC000095696872	260556214	/nfs/dbraw/zinc/55/62/14/260556214.db2.gz	NISAHDHKGPWBEM-UHFFFAOYSA-N	-1	0	278.392	4.443	50	30		CIEARM
O=C1C(=O)C(CCC[C@H]2CC=CCC2)=C([O-])c2ccccc21	ZINC000000402472	567055383	/nfs/dbraw/zinc/05/53/83/567055383.db2.gz	OUZGKDMYPJCZEZ-ZDUSSCGKSA-N	-1	0	296.366	4.404	50	30		CIEARM
Cc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c([O-])c1	ZINC000004025033	567185800	/nfs/dbraw/zinc/18/58/00/567185800.db2.gz	BLTRGCUHBWMPKC-VQHVLOKHSA-N	-1	0	278.307	4.343	50	30		CIEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(O)c1	ZINC000000125065	567819140	/nfs/dbraw/zinc/81/91/40/567819140.db2.gz	UAVXWCQMXIYUAE-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM
CCCCCCCCCCCCC#CC#CC(=O)[O-]	ZINC000002528011	567847653	/nfs/dbraw/zinc/84/76/53/567847653.db2.gz	JMRNAAJGQAFZRJ-UHFFFAOYSA-N	-1	0	262.393	4.389	50	30		CIEARM
CCCCCCCCn1c(=O)c2ccccc2[n-]c1=S	ZINC000003299745	567852474	/nfs/dbraw/zinc/85/24/74/567852474.db2.gz	MNBKNTWRJXXYNY-UHFFFAOYSA-N	-1	0	290.432	4.420	50	30		CIEARM
[O-]/N=C/c1c(OCc2ccccc2F)ccc2ccccc21	ZINC000006942387	170257574	/nfs/dbraw/zinc/25/75/74/170257574.db2.gz	NXPREALPZLAHIF-RGVLZGJSSA-N	-1	0	295.313	4.366	50	30		CIEARM
C[C@H](/N=C/c1ccccc1O)C12CC3CC(CC(C3)C1)C2	ZINC000096576791	265373987	/nfs/dbraw/zinc/37/39/87/265373987.db2.gz	VGXYFBFCYMQCEO-QLPBHFQKSA-N	-1	0	283.415	4.416	50	30		CIEARM
CCCCCC#CCC#CCC#CCC#CCCCC(=O)[O-]	ZINC000003871082	560190895	/nfs/dbraw/zinc/19/08/95/560190895.db2.gz	MGLDCXPLYOWQRP-UHFFFAOYSA-N	-1	0	296.410	4.006	50	30	in-vitro	CIEARM
C=C(C)COc1ccc2oc(C(C)(C)C)c(C(=O)[O-])c2c1	ZINC000000308066	566899675	/nfs/dbraw/zinc/89/96/75/566899675.db2.gz	VTRRYSYWWPBOSK-UHFFFAOYSA-N	-1	0	288.343	4.383	50	30		CIEARM
Cc1ccc(O)c(N=Cc2cc(Cl)cc(Cl)c2[O-])c1	ZINC000252462804	567051206	/nfs/dbraw/zinc/05/12/06/567051206.db2.gz	WLPBXPZHIKFYSO-UHFFFAOYSA-N	-1	0	296.153	4.464	50	30		CIEARM
O=C([O-])c1ccc(C=Nc2ccc3ccccc3c2)cc1	ZINC000252609844	567066312	/nfs/dbraw/zinc/06/63/12/567066312.db2.gz	HWEREJPWWAXPBS-UHFFFAOYSA-N	-1	0	275.307	4.289	50	30		CIEARM
N#CCCCCC#CC#CCCCCCCCCC(=O)[O-]	ZINC000003218496	567165127	/nfs/dbraw/zinc/16/51/27/567165127.db2.gz	RKVMFVRZKSUEGL-UHFFFAOYSA-N	-1	0	287.403	4.283	50	30		CIEARM
Cc1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000058440	567817273	/nfs/dbraw/zinc/81/72/73/567817273.db2.gz	WLPBXPZHIKFYSO-REZTVBANSA-N	-1	0	296.153	4.464	50	30		CIEARM
C/C(=N\Cc1ccccc1)c1ccc(Cl)cc1O	ZINC000000130747	567819389	/nfs/dbraw/zinc/81/93/89/567819389.db2.gz	NZYSCUYBAXJJDJ-GZTJUZNOSA-N	-1	0	259.736	4.055	50	30		CIEARM
[O-]c1c(C=Nc2ccccc2O)sc2ccccc12	ZINC000017822307	567937312	/nfs/dbraw/zinc/93/73/12/567937312.db2.gz	QXNFDBJQJCPWBM-CXUHLZMHSA-N	-1	0	269.325	4.063	50	30		CIEARM
CCCCCCCCCCCC[S@@](=O)CCC(=O)[O-]	ZINC000100019020	185701688	/nfs/dbraw/zinc/70/16/88/185701688.db2.gz	CTLRMORKQMVCKP-IBGZPJMESA-N	-1	0	290.469	4.131	50	30		CIEARM
CCCCCCCCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000002163667	519973417	/nfs/dbraw/zinc/97/34/17/519973417.db2.gz	HNJRPXOUYKWVPF-UHFFFAOYSA-N	-1	0	277.364	4.074	50	30		CIEARM
CC(=O)C(N=Nc1ccccc1)=C([O-])c1ccccc1	ZINC000102314888	566919575	/nfs/dbraw/zinc/91/95/75/566919575.db2.gz	RTXNMNLMNBPNMX-GKIXDJALSA-N	-1	0	266.300	4.286	50	30		CIEARM
O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1[O-]	ZINC000004279023	567191968	/nfs/dbraw/zinc/19/19/68/567191968.db2.gz	WUJADWVYJCZWRM-FNORWQNLSA-N	-1	0	276.694	4.081	50	30		CIEARM
[O-]/N=C1\C[C@@H](c2ccc(Cl)cc2)Oc2ccccc21	ZINC000000161809	567924049	/nfs/dbraw/zinc/92/40/49/567924049.db2.gz	LNIUSMGRSBSFKY-XOAFGZPJSA-N	-1	0	273.719	4.042	50	30		CIEARM
[O-]/N=C1\C[C@H](c2ccc(Cl)cc2)Oc2ccccc21	ZINC000000161814	567924133	/nfs/dbraw/zinc/92/41/33/567924133.db2.gz	LNIUSMGRSBSFKY-OVGFGYAMSA-N	-1	0	273.719	4.042	50	30		CIEARM
N#Cc1cc(-c2ccccc2)oc1/N=C/c1ccccc1O	ZINC000084459707	570253188	/nfs/dbraw/zinc/25/31/88/570253188.db2.gz	YGKAPNHRYVQTIE-UDWIEESQSA-N	-1	0	288.306	4.274	50	30		CIEARM
Cc1csc(C(C#N)=C([O-])c2cc3ccccc3s2)n1	ZINC000041518933	570404017	/nfs/dbraw/zinc/40/40/17/570404017.db2.gz	HONXSKSUMKLWPA-LLVKDONJSA-N	-1	0	298.392	4.156	50	30		CIEARM
O=C(/C=C/c1cccs1)c1cc(Cl)ccc1[O-]	ZINC000004804528	170019825	/nfs/dbraw/zinc/01/98/25/170019825.db2.gz	NZCPOWKQXJUSKP-GQCTYLIASA-N	-1	0	264.733	4.003	50	30		CIEARM
[O-]c1c(Cl)cc(Cl)cc1C=NNc1ccccc1	ZINC000004996054	170051513	/nfs/dbraw/zinc/05/15/13/170051513.db2.gz	ZFFFTPFYSKCYOK-LZYBPNLTSA-N	-1	0	281.142	4.145	50	30		CIEARM
O=[N+]([O-])c1ccc([O-])c(/N=C/c2cccc3ccccc23)c1	ZINC000005604983	170118987	/nfs/dbraw/zinc/11/89/87/170118987.db2.gz	YBSAGINZLSKKJL-WOJGMQOQSA-N	-1	0	292.294	4.204	50	30		CIEARM
O=C(/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1[O-]	ZINC000004252511	567193243	/nfs/dbraw/zinc/19/32/43/567193243.db2.gz	TYSGUQCBLZRABZ-XVNBXDOJSA-N	-1	0	276.694	4.081	50	30		CIEARM
C#C[C@H]1CCCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000000111345	567818548	/nfs/dbraw/zinc/81/85/48/567818548.db2.gz	ANXUIZRHXOAZJA-HMCHCSCRSA-N	-1	0	296.197	4.310	50	30		CIEARM
CCCCCCCCCCCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000028539122	567883776	/nfs/dbraw/zinc/88/37/76/567883776.db2.gz	WQHXCNGQDLRDMP-INIZCTEOSA-N	-1	0	299.455	4.133	50	30		CIEARM
CCCCCCCCCCCCN(CCC(=O)[O-])C(C)=O	ZINC000100921977	567939324	/nfs/dbraw/zinc/93/93/24/567939324.db2.gz	CRLQTXVKRNLQFK-UHFFFAOYSA-N	-1	0	299.455	4.231	50	30		CIEARM
Cc1ccc([C@@H]2C[C@@H]2/C(=N/O)c2ccc(F)cc2)cc1	ZINC000013132586	570360793	/nfs/dbraw/zinc/36/07/93/570360793.db2.gz	NMEWOZJNPFNNIR-IMODLIGDSA-N	-1	0	269.319	4.116	50	30		CIEARM
COc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000086040451	179222117	/nfs/dbraw/zinc/22/21/17/179222117.db2.gz	ROJLFBVUUHKXKA-CAOOACKPSA-N	-1	0	296.153	4.458	50	30		CIEARM
O=C(/C=C/c1ccc(F)cc1)c1cccc(Cl)c1[O-]	ZINC000004252720	169949326	/nfs/dbraw/zinc/94/93/26/169949326.db2.gz	XTNBJEABEHTRKE-RMKNXTFCSA-N	-1	0	276.694	4.081	50	30		CIEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3ccccc3c2)c1	ZINC000004990616	170050474	/nfs/dbraw/zinc/05/04/74/170050474.db2.gz	SRRGDGYBSLYXRQ-WOJGMQOQSA-N	-1	0	292.294	4.204	50	30		CIEARM
Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Cl	ZINC000005286794	170083214	/nfs/dbraw/zinc/08/32/14/170083214.db2.gz	XQVRXBHMHAZMFN-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM
CC1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000005444445	170099934	/nfs/dbraw/zinc/09/99/34/170099934.db2.gz	WPQSTIVMJCQJSW-UHFFFAOYSA-N	-1	0	280.755	4.016	50	30		CIEARM
CCCCCCCCOc1ccc(C(=O)[O-])c(F)c1F	ZINC000002049133	260007641	/nfs/dbraw/zinc/00/76/41/260007641.db2.gz	LKLUKBVDNAEEKI-UHFFFAOYSA-N	-1	0	286.318	4.402	50	30		CIEARM
CCCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)[O-]	ZINC000002080301	260008482	/nfs/dbraw/zinc/00/84/82/260008482.db2.gz	YLVIBFPYEJFLTO-CYBMUJFWSA-N	-1	0	292.375	4.291	50	30		CIEARM
CCCCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1	ZINC000003107597	519975267	/nfs/dbraw/zinc/97/52/67/519975267.db2.gz	RPVXVXVYQAUIQJ-UHFFFAOYSA-N	-1	0	278.348	4.041	50	30		CIEARM
CCCCCCCCCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000003153371	519977729	/nfs/dbraw/zinc/97/77/29/519977729.db2.gz	QSYCFTXFKWQPER-UHFFFAOYSA-N	-1	0	291.391	4.464	50	30		CIEARM
CCCCCCCC[P@](=O)(CC(=O)[O-])c1ccccc1	ZINC000003099519	520047128	/nfs/dbraw/zinc/04/71/28/520047128.db2.gz	FLUXWPQBGCCZTL-FQEVSTJZSA-N	-1	0	296.347	4.120	50	30		CIEARM
CCCCCCCCC#CC#Cc1cccc(C(=O)[O-])c1	ZINC000098005229	528120722	/nfs/dbraw/zinc/12/07/22/528120722.db2.gz	XWFNJAKOIGKFPQ-UHFFFAOYSA-N	-1	0	282.383	4.490	50	30		CIEARM
COc1ccc(C(=O)/C=C/c2cc3ccccc3o2)c([O-])c1	ZINC000004026790	566855127	/nfs/dbraw/zinc/85/51/27/566855127.db2.gz	ZILNHPZZDNCXCW-VQHVLOKHSA-N	-1	0	294.306	4.043	50	30		CIEARM
C=CCCCCCCCCCSc1nnc(C)c(=O)[n-]1	ZINC000094993247	567125415	/nfs/dbraw/zinc/12/54/15/567125415.db2.gz	RAKAQEWSMJWYCI-UHFFFAOYSA-N	-1	0	295.452	4.285	50	30		CIEARM
CSc1ccccc1[N-]C(=S)NC1CCCC1	ZINC000013812606	567867976	/nfs/dbraw/zinc/86/79/76/567867976.db2.gz	VLHZIBFEGSXYNR-UHFFFAOYSA-N	-1	0	266.435	4.049	50	30		CIEARM
O=C(/C=C/c1ccc(F)c(Cl)c1)c1ccccc1[O-]	ZINC000072333013	567895392	/nfs/dbraw/zinc/89/53/92/567895392.db2.gz	KYCRKYYJABVGHR-SOFGYWHQSA-N	-1	0	276.694	4.081	50	30		CIEARM
[O-]/N=C(/c1cc2ccccc2o1)c1ccc(Cl)cc1	ZINC000100447702	230391996	/nfs/dbraw/zinc/39/19/96/230391996.db2.gz	ZEOAOTRMQPJDQG-BMRADRMJSA-N	-1	0	271.703	4.313	50	30		CIEARM
C[C@@H](/N=C/c1ccccc1O)C12CC3CC(CC(C3)C1)C2	ZINC000096576792	265373052	/nfs/dbraw/zinc/37/30/52/265373052.db2.gz	VGXYFBFCYMQCEO-BSOPFSIHSA-N	-1	0	283.415	4.416	50	30		CIEARM
CCCCCCCOc1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000003278402	520061532	/nfs/dbraw/zinc/06/15/32/520061532.db2.gz	XDGUJINJMPKTPO-PKNBQFBNSA-N	-1	0	292.375	4.142	50	30		CIEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccccc1	ZINC000000485177	567833110	/nfs/dbraw/zinc/83/31/10/567833110.db2.gz	QNBZAPKOISJIJX-RQZCQDPDSA-N	-1	0	280.154	4.318	50	30		CIEARM
CCCc1ccc(O)c(/N=C/c2cccc(OCC)c2O)c1	ZINC000004551347	567858301	/nfs/dbraw/zinc/85/83/01/567858301.db2.gz	LTECUVJVNFXNKA-XDHOZWIPSA-N	-1	0	299.370	4.200	50	30		CIEARM
CC(C)c1ccc(C2=C([O-])C(=O)c3ccccc3C2=O)cc1	ZINC000018116959	567876427	/nfs/dbraw/zinc/87/64/27/567876427.db2.gz	VFHFCSCHZXKFJE-UHFFFAOYSA-N	-1	0	292.334	4.158	50	30		CIEARM
O=[N+]([O-])c1cccc(/C=N/c2cccc3ccccc32)c1[O-]	ZINC000003117885	567932956	/nfs/dbraw/zinc/93/29/56/567932956.db2.gz	JYLQYZIMSCUZHA-WOJGMQOQSA-N	-1	0	292.294	4.204	50	30		CIEARM
CCCCCCCCC[P@@](=O)([O-])c1ccccc1	ZINC000002485638	260009467	/nfs/dbraw/zinc/00/94/67/260009467.db2.gz	GWNPUAFMXVOTRC-UHFFFAOYSA-N	-1	0	268.337	4.333	50	30		CIEARM
CCCCCCCCCCCC[S@](=O)CCC(=O)[O-]	ZINC000100019023	567911737	/nfs/dbraw/zinc/91/17/37/567911737.db2.gz	CTLRMORKQMVCKP-LJQANCHMSA-N	-1	0	290.469	4.131	50	30		CIEARM
Cc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000252625072	567068447	/nfs/dbraw/zinc/06/84/47/567068447.db2.gz	QCIGBWVPXDBSIX-UHFFFAOYSA-N	-1	0	290.706	4.013	50	30		CIEARM
CC(C)c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000000094551	567818000	/nfs/dbraw/zinc/81/80/00/567818000.db2.gz	ZOEAKFKAMYYVRC-WOJGMQOQSA-N	-1	0	267.328	4.259	50	30		CIEARM
CCCCCCCSc1ccc(C(=O)[O-])cc1	ZINC000001723529	567842296	/nfs/dbraw/zinc/84/22/96/567842296.db2.gz	LFIZZGOLWFBCNM-UHFFFAOYSA-N	-1	0	252.379	4.447	50	30		CIEARM
[O-]/N=C\c1ccccc1Oc1cccc(C(F)(F)F)c1	ZINC000013397351	567865911	/nfs/dbraw/zinc/86/59/11/567865911.db2.gz	UGXDRGXAEGYAMT-NVMNQCDNSA-N	-1	0	281.233	4.306	50	30		CIEARM
Cc1cccc(O)c1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000000059992	570250760	/nfs/dbraw/zinc/25/07/60/570250760.db2.gz	FAXAYJQFTLYFJX-REZTVBANSA-N	-1	0	296.153	4.464	50	30		CIEARM
C=CCc1cccc(/C=N/c2sc(C)c(C)c2C#N)c1O	ZINC000000060434	570251184	/nfs/dbraw/zinc/25/11/84/570251184.db2.gz	BADAGJQYMKMOKG-VXLYETTFSA-N	-1	0	296.395	4.421	50	30		CIEARM
C/C([O-])=N\c1c(=O)oc2ccccc2c1Nc1ccccc1	ZINC000000244322	169585379	/nfs/dbraw/zinc/58/53/79/169585379.db2.gz	CISKFRQDLCWVKU-UHFFFAOYSA-N	-1	0	294.310	4.145	50	30		CIEARM
[O-]/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000020435894	171201512	/nfs/dbraw/zinc/20/15/12/171201512.db2.gz	MDEHSWABEBQZON-MKMNVTDBSA-N	-1	0	256.088	4.062	50	30		CIEARM
N#Cc1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000136723	567819816	/nfs/dbraw/zinc/81/98/16/567819816.db2.gz	DWNXUPMINGGZKV-QGMBQPNBSA-N	-1	0	291.137	4.321	50	30		CIEARM
CCCCCCCCCCCC[P@@](=O)([O-])O	ZINC000001600143	567839458	/nfs/dbraw/zinc/83/94/58/567839458.db2.gz	SVMUEEINWGBIPD-UHFFFAOYSA-N	-1	0	250.319	4.085	50	30	in-vivo	CIEARM
CCCCCCCCCCOc1ccc(C(=O)[O-])cn1	ZINC000002383835	567845892	/nfs/dbraw/zinc/84/58/92/567845892.db2.gz	CDWAGGDIRSABGE-UHFFFAOYSA-N	-1	0	279.380	4.299	50	30		CIEARM
[O-]c1c(C=Nc2ccc(Cl)cn2)sc2ccccc12	ZINC000013126217	567865259	/nfs/dbraw/zinc/86/52/59/567865259.db2.gz	FSNDWBCKMOTDBF-CAOOACKPSA-N	-1	0	288.759	4.406	50	30		CIEARM
COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000100032190	567911725	/nfs/dbraw/zinc/91/17/25/567911725.db2.gz	WZJXBVKMQJQHIC-CAOOACKPSA-N	-1	0	296.153	4.458	50	30		CIEARM
[O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccccc1O	ZINC000100032088	567911764	/nfs/dbraw/zinc/91/17/64/567911764.db2.gz	MTSXJANJUVPBNJ-FRKPEAEDSA-N	-1	0	282.126	4.155	50	30		CIEARM
C=C(CC(=O)OCCCCCCCCCCCC)C(=O)[O-]	ZINC000100080821	567912100	/nfs/dbraw/zinc/91/21/00/567912100.db2.gz	VANYYAXEJNLEOM-UHFFFAOYSA-N	-1	0	298.423	4.481	50	30		CIEARM
[O-]/N=C/c1cc(Br)c(Sc2ccccc2)o1	ZINC000100383466	567913069	/nfs/dbraw/zinc/91/30/69/567913069.db2.gz	PUFAKKPPLJGQKC-NTUHNPAUSA-N	-1	0	298.161	4.001	50	30		CIEARM
Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(O)c1	ZINC000000059960	570250713	/nfs/dbraw/zinc/25/07/13/570250713.db2.gz	VBKIAEPLFTYVIY-REZTVBANSA-N	-1	0	296.153	4.464	50	30		CIEARM
N#Cc1cc(C2CCCCC2)cc(Br)c1[O-]	ZINC000000155464	570386826	/nfs/dbraw/zinc/38/68/26/570386826.db2.gz	IKAZBMPVSDZVEK-UHFFFAOYSA-N	-1	0	280.165	4.074	50	30		CIEARM
[O-]/N=C1\C[C@@H](c2ccccc2)Oc2ccc(Cl)cc21	ZINC000006061857	170173158	/nfs/dbraw/zinc/17/31/58/170173158.db2.gz	BXFSXGPNJNTWDP-XOAFGZPJSA-N	-1	0	273.719	4.042	50	30		CIEARM
Cc1ccccc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000022726648	171396785	/nfs/dbraw/zinc/39/67/85/171396785.db2.gz	WAWGRNAGCZARAX-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM
[O-]/N=C\c1ccccc1Oc1ccc(Cl)c(F)c1	ZINC000100034615	567911707	/nfs/dbraw/zinc/91/17/07/567911707.db2.gz	VGQLDYWJGIQJRP-PXNMLYILSA-N	-1	0	265.671	4.080	50	30		CIEARM
COc1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000000101013	567818269	/nfs/dbraw/zinc/81/82/69/567818269.db2.gz	VFEJJVZFQIPDKG-CAOOACKPSA-N	-1	0	296.153	4.458	50	30		CIEARM
CCCCCCCOc1ccc(C(=O)CCC(=O)[O-])cc1	ZINC000002144860	567844847	/nfs/dbraw/zinc/84/48/47/567844847.db2.gz	GRIATMKAFYNTBG-UHFFFAOYSA-N	-1	0	292.375	4.083	50	30		CIEARM
O=C(/C=C/C=C/c1ccccc1)c1cc(Cl)ccc1[O-]	ZINC000002178994	567845277	/nfs/dbraw/zinc/84/52/77/567845277.db2.gz	XVROCITZRXZVRJ-KBXRYBNXSA-N	-1	0	284.742	4.498	50	30		CIEARM
C#C[C@@H]1CCCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000004390414	567857355	/nfs/dbraw/zinc/85/73/55/567857355.db2.gz	ANXUIZRHXOAZJA-YYOHGUBUSA-N	-1	0	296.197	4.310	50	30		CIEARM
Cc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000012447496	567863456	/nfs/dbraw/zinc/86/34/56/567863456.db2.gz	UFODXBNVDJSWAB-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM
Cc1cccc(N=Cc2sc3ccccc3c2[O-])n1	ZINC000013118958	567864850	/nfs/dbraw/zinc/86/48/50/567864850.db2.gz	YQQBYLAWWRXJMW-CXUHLZMHSA-N	-1	0	268.341	4.061	50	30		CIEARM
Oc1ccccc1/C=N/c1ccc(Cl)c(Cl)c1	ZINC000013469961	567866235	/nfs/dbraw/zinc/86/62/35/567866235.db2.gz	VWMZWOFWWGXAIA-LZYBPNLTSA-N	-1	0	266.127	4.450	50	30		CIEARM
CCCCCCCCCCCCOC(=O)/C=C/C(=O)[O-]	ZINC000059285080	567896206	/nfs/dbraw/zinc/89/62/06/567896206.db2.gz	IIPCXIGUIPAGQB-OUKQBFOZSA-N	-1	0	284.396	4.091	50	30		CIEARM
Cc1cccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000014923131	570300812	/nfs/dbraw/zinc/30/08/12/570300812.db2.gz	QCIGBWVPXDBSIX-LZYBPNLTSA-N	-1	0	290.706	4.013	50	30		CIEARM