smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccc(Br)s1	ZINC000020157681	531580365	/nfs/dbraw/zinc/58/03/65/531580365.db2.gz	AFTRTBFVYKWDRZ-LTCVEOEISA-N	-1	0	376.257	2.297	50	30		GEEARM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)cc1S(C)(=O)=O	ZINC000048459494	531732406	/nfs/dbraw/zinc/73/24/06/531732406.db2.gz	BZEGXQYLBKUNCS-UHFFFAOYSA-N	-1	0	389.401	2.370	50	30		GEEARM
CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C#N)[C@H]1CCOC1	ZINC000594719973	532522053	/nfs/dbraw/zinc/52/20/53/532522053.db2.gz	ALOWNLILTGQULY-FZMZJTMJSA-N	-1	0	389.271	2.114	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccccc2O)N(c2ccc(O)cc2)C1=O	ZINC000005102005	204110562	/nfs/dbraw/zinc/11/05/62/204110562.db2.gz	ZYQFBMNMGDEGFH-ONXGYKHPSA-N	-1	0	385.401	2.411	50	30		GEEARM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000005885282	204155515	/nfs/dbraw/zinc/15/55/15/204155515.db2.gz	PNBXHSYFYMATJM-UHFFFAOYSA-N	-1	0	393.490	2.390	50	30		GEEARM
N#Cc1ccc(CS(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1	ZINC000008183601	204263814	/nfs/dbraw/zinc/26/38/14/204263814.db2.gz	DTBVJFNULNIGHI-KRWDZBQOSA-N	-1	0	399.472	2.409	50	30		GEEARM
COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)cc(Cl)c1OC	ZINC000042307859	205079307	/nfs/dbraw/zinc/07/93/07/205079307.db2.gz	HPVJHVUGYAFZEQ-UHFFFAOYSA-N	-1	0	394.836	2.489	50	30		GEEARM
C=CCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(OCC)cc3)N(C(C)=O)N2)C1=O	ZINC000009331493	518838599	/nfs/dbraw/zinc/83/85/99/518838599.db2.gz	CACPQXOQLOPYIF-SCDSTIRESA-N	-1	0	398.419	2.242	50	30		GEEARM
CCOC(=O)C(C#N)=N[N-]c1sc(C(=O)OCC)c(C)c1C(=O)OCC	ZINC000013476224	520398241	/nfs/dbraw/zinc/39/82/41/520398241.db2.gz	GJABWROVGKWFCI-ZDLGFXPLSA-N	-1	0	381.410	2.265	50	30		GEEARM
COC(=O)[C@@]1(O)C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1	ZINC000100779986	523843399	/nfs/dbraw/zinc/84/33/99/523843399.db2.gz	WOSXGIOYGIYJBX-IBGZPJMESA-N	-1	0	387.775	2.243	50	30		GEEARM
N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3N)c(=O)[n-]2)c1	ZINC000006508270	570461153	/nfs/dbraw/zinc/46/11/53/570461153.db2.gz	ZIXSNERXACHPBG-UHFFFAOYSA-N	-1	0	378.417	2.017	50	30		GEEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000002790591	570515283	/nfs/dbraw/zinc/51/52/83/570515283.db2.gz	OBCHBSIYOWUJAE-UHFFFAOYSA-N	-1	0	377.378	2.441	50	30		GEEARM
CC(C)COC(=O)N1CCC(C(=O)Nc2ccc([O-])c(S(N)(=O)=O)c2)CC1	ZINC000328590534	570642043	/nfs/dbraw/zinc/64/20/43/570642043.db2.gz	WZNVLZPABPJGES-UHFFFAOYSA-N	-1	0	399.469	2.132	50	30		GEEARM
COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O	ZINC000105640107	643213111	/nfs/dbraw/zinc/21/31/11/643213111.db2.gz	QOWRPIIQMGEATP-ABCZVMIZSA-N	-1	0	381.178	2.392	50	30		GEEARM
C#CCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000002192958	531502786	/nfs/dbraw/zinc/50/27/86/531502786.db2.gz	HUSDOCYYGJKCFX-ADVUTCEVSA-N	-1	0	377.443	2.382	50	30		GEEARM
COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O	ZINC000003543717	204012563	/nfs/dbraw/zinc/01/25/63/204012563.db2.gz	UAYIYPULTASYHN-RDFMZFSFSA-N	-1	0	381.178	2.392	50	30		GEEARM
C[C@H](Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2)C(=O)[O-]	ZINC000004786030	204075663	/nfs/dbraw/zinc/07/56/63/204075663.db2.gz	DQGDQFUBRHYBDN-NSHDSACASA-N	-1	0	377.466	2.206	50	30		GEEARM
Cc1cccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)c1C	ZINC000006090325	204163715	/nfs/dbraw/zinc/16/37/15/204163715.db2.gz	HTSOPLVEIWYVCD-PGMHBOJBSA-N	-1	0	396.432	2.470	50	30		GEEARM
Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1[N+](=O)[O-]	ZINC000006088582	204164803	/nfs/dbraw/zinc/16/48/03/204164803.db2.gz	FIJJEUCZBKWQOY-HKWRFOASSA-N	-1	0	382.405	2.161	50	30		GEEARM
O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000005491442	204136161	/nfs/dbraw/zinc/13/61/61/204136161.db2.gz	XYGANJWUXLRIRW-YDJIHCHBSA-N	-1	0	392.455	2.441	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000006448778	204178320	/nfs/dbraw/zinc/17/83/20/204178320.db2.gz	UNOZOLFMBOZGIE-IBOXJLQUSA-N	-1	0	382.328	2.101	50	30		GEEARM
C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)NC1=S	ZINC000002889276	205971353	/nfs/dbraw/zinc/97/13/53/205971353.db2.gz	ZLEPKZCHLSIXPY-GXDHUFHOSA-N	-1	0	382.397	2.458	50	30		GEEARM
C[C@@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000240897292	206127266	/nfs/dbraw/zinc/12/72/66/206127266.db2.gz	IRVUPMOGXQSJAL-NOZJJQNGSA-N	-1	0	399.266	2.131	50	30		GEEARM
C=C(C)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036358183	518605306	/nfs/dbraw/zinc/60/53/06/518605306.db2.gz	RLMRMOABXKHHAT-LJQANCHMSA-N	-1	0	389.427	2.184	50	30		GEEARM
C=C(C)CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036358182	518606019	/nfs/dbraw/zinc/60/60/19/518606019.db2.gz	RLMRMOABXKHHAT-IBGZPJMESA-N	-1	0	389.427	2.184	50	30		GEEARM
C=CCOc1cccc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)c1	ZINC000034764706	519051438	/nfs/dbraw/zinc/05/14/38/519051438.db2.gz	GZNCDWVHKFBUCU-UHFFFAOYSA-N	-1	0	391.431	2.453	50	30		GEEARM
COc1cc(C=NNc2nnc3c4ccccc4nc-3[n-]2)ccc1OCCO	ZINC000004660191	521996931	/nfs/dbraw/zinc/99/69/31/521996931.db2.gz	QSIRTYYWCHEGRU-RGVLZGJSSA-N	-1	0	378.392	2.332	50	30		GEEARM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])ccc1O	ZINC000005489781	522915495	/nfs/dbraw/zinc/91/54/95/522915495.db2.gz	KCCJQDZLTYWHCM-SELCWUDQSA-N	-1	0	397.383	2.297	50	30		GEEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@@H]2c2cccnc2)cc1	ZINC000019553003	523549321	/nfs/dbraw/zinc/54/93/21/523549321.db2.gz	LREBJRYUCMRWDM-QGZVFWFLSA-N	-1	0	382.372	2.143	50	30		GEEARM
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(=O)[O-])c(OC)c1	ZINC000005408771	570585790	/nfs/dbraw/zinc/58/57/90/570585790.db2.gz	RRJPAVDOMKZEGF-GHNGSUTGSA-N	-1	0	397.383	2.210	50	30		GEEARM
COc1ccccc1N1CCN(C2=NC3(CCCCC3)C(C#N)=C([O-])N2)CC1	ZINC000013945691	570807383	/nfs/dbraw/zinc/80/73/83/570807383.db2.gz	WTEBHZVLENBJLB-INIZCTEOSA-N	-1	0	381.480	2.146	50	30		GEEARM
O=S(=O)(N=C1CCCN1)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000016152908	570915514	/nfs/dbraw/zinc/91/55/14/570915514.db2.gz	MJHBDHAYYCJKKT-UHFFFAOYSA-N	-1	0	397.453	2.097	50	30		GEEARM
CCOc1nc(CC)nc(NC(=O)N=S(=O)([O-])c2ccccc2Cl)n1	ZINC000001226895	642320218	/nfs/dbraw/zinc/32/02/18/642320218.db2.gz	JBMMYDPKUAVFDK-UHFFFAOYSA-N	-1	0	385.833	2.201	50	30		GEEARM
CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N\c1ccc(I)cc1	ZINC000002226683	531502882	/nfs/dbraw/zinc/50/28/82/531502882.db2.gz	PNNCYWFFCBOEME-GCOCVTSNSA-N	-1	0	390.202	2.327	50	30		GEEARM
CC1=CC(=O)C(=C([O-])C=Cc2cc3ccccc3nc2N2CCOCC2)C(=O)O1	ZINC000003547012	204012754	/nfs/dbraw/zinc/01/27/54/204012754.db2.gz	LFPSPQYCKBXERX-YJJPMGAVSA-N	-1	0	392.411	2.300	50	30		GEEARM
Nc1nonc1N=NCc1cc(Br)cc(Br)c1[O-]	ZINC000004714583	204067457	/nfs/dbraw/zinc/06/74/57/204067457.db2.gz	RLXVCPWGRGTJRR-QLKAYGNNSA-N	-1	0	376.996	2.328	50	30		GEEARM
O=C([O-])C[C@H]1S/C(=N\N=C/c2ccccc2O)N(c2ccc(O)cc2)C1=O	ZINC000005023200	204103990	/nfs/dbraw/zinc/10/39/90/204103990.db2.gz	ZYQFBMNMGDEGFH-WPTXBGJLSA-N	-1	0	385.401	2.411	50	30		GEEARM
Cc1csc(C(C#N)=C([O-])COC(=O)CCS(=O)(=O)c2ccccc2)n1	ZINC000006606166	204186987	/nfs/dbraw/zinc/18/69/87/204186987.db2.gz	UCSWRXPQGWVFNQ-CQSZACIVSA-N	-1	0	392.458	2.035	50	30		GEEARM
C#CCOc1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000033686331	518319946	/nfs/dbraw/zinc/31/99/46/518319946.db2.gz	HUSDOCYYGJKCFX-RSYJBZMQSA-N	-1	0	377.443	2.382	50	30		GEEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)N1CCOCC1	ZINC000101390725	520897893	/nfs/dbraw/zinc/89/78/93/520897893.db2.gz	YYMYWOKGIOGHDQ-FCDQGJHFSA-N	-1	0	391.431	2.350	50	30		GEEARM
CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cncc(N3CCOCC3)c2)cc1	ZINC000089991185	521183551	/nfs/dbraw/zinc/18/35/51/521183551.db2.gz	WTQHIUHKCIOYFA-UHFFFAOYSA-N	-1	0	391.449	2.010	50	30		GEEARM
Cc1cccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)c1C	ZINC000100538351	524529164	/nfs/dbraw/zinc/52/91/64/524529164.db2.gz	HTSOPLVEIWYVCD-LTGZKZEYSA-N	-1	0	396.432	2.470	50	30		GEEARM
Cc1c(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cccc1[N+](=O)[O-]	ZINC000018137261	525821118	/nfs/dbraw/zinc/82/11/18/525821118.db2.gz	NXZSJWDQLRWLTO-HMMYKYKNSA-N	-1	0	382.405	2.161	50	30		GEEARM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C=Cc2cccc(Cl)c2)CC1	ZINC000052767114	570802960	/nfs/dbraw/zinc/80/29/60/570802960.db2.gz	XBURINBSXOGREU-WAYWQWQTSA-N	-1	0	386.857	2.440	50	30		GEEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CC3)C1=O)O2	ZINC000263584788	570900226	/nfs/dbraw/zinc/90/02/26/570900226.db2.gz	ARLOPIWKOQSOPK-PBAKHKOTSA-N	-1	0	383.400	2.321	50	30		GEEARM
Cc1ccc(S(C)(=O)=O)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1	ZINC000045100337	570987591	/nfs/dbraw/zinc/98/75/91/570987591.db2.gz	HJIBJGZZJSFQPT-UHFFFAOYSA-N	-1	0	385.438	2.372	50	30		GEEARM
CS(=O)(=O)c1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3o2)n1	ZINC000019912981	531579684	/nfs/dbraw/zinc/57/96/84/531579684.db2.gz	NSSAFEXXJPYMFS-MRVPVSSYSA-N	-1	0	376.781	2.165	50	30		GEEARM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2sccc21	ZINC000170627075	531884922	/nfs/dbraw/zinc/88/49/22/531884922.db2.gz	GKRLEBZHUGICME-AWEZNQCLSA-N	-1	0	376.459	2.437	50	30		GEEARM
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C1\NC(=O)[C@@H](CC(=O)[O-])S1	ZINC000006167182	204167811	/nfs/dbraw/zinc/16/78/11/204167811.db2.gz	MYLPBEZLXUHECQ-VGTRTNLYSA-N	-1	0	391.840	2.230	50	30		GEEARM
CN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1ccc(I)cc1	ZINC000020220339	204708938	/nfs/dbraw/zinc/70/89/38/204708938.db2.gz	JYSMTMIBMNQNQZ-USPJWIJHSA-N	-1	0	390.202	2.327	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@H]1COc2ccc(Cl)cc2C1	ZINC000042306559	205079935	/nfs/dbraw/zinc/07/99/35/205079935.db2.gz	HARHWJPGHNPWDI-OAHLLOKOSA-N	-1	0	390.848	2.409	50	30		GEEARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cccc(C#N)c1	ZINC000007505387	221000162	/nfs/dbraw/zinc/00/01/62/221000162.db2.gz	GDLYCQOUWCBXMQ-UHFFFAOYSA-N	-1	0	376.390	2.163	50	30		GEEARM
C=CCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1	ZINC000002975390	518933263	/nfs/dbraw/zinc/93/32/63/518933263.db2.gz	HFEKMGSBRKRHBO-UHFFFAOYSA-N	-1	0	395.440	2.378	50	30		GEEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1ccccc1	ZINC000022468280	527121974	/nfs/dbraw/zinc/12/19/74/527121974.db2.gz	QQYWJMAZTDVBFG-ZHZULCJRSA-N	-1	0	380.444	2.118	50	30		GEEARM
Cc1c(C#N)c(NC(=O)CSc2nnc(C)c(=O)[n-]2)[nH]c1Cc1ccccc1	ZINC000036235011	570577566	/nfs/dbraw/zinc/57/75/66/570577566.db2.gz	YBJWVUYWIPJWKH-UHFFFAOYSA-N	-1	0	394.460	2.303	50	30		GEEARM
C#Cc1cccc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)c1	ZINC000012525887	570830195	/nfs/dbraw/zinc/83/01/95/570830195.db2.gz	QAHVZWBNMBBQCX-UHFFFAOYSA-N	-1	0	393.442	2.412	50	30		GEEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CC[C@]2(C1)CCCN(CC1CCC1)C2=O	ZINC000091807783	570924627	/nfs/dbraw/zinc/92/46/27/570924627.db2.gz	YSFOWKSDGJSKAS-NRFANRHFSA-N	-1	0	382.464	2.222	50	30		GEEARM
COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O	ZINC000025638465	642425584	/nfs/dbraw/zinc/42/55/84/642425584.db2.gz	QOWRPIIQMGEATP-BWPKMQGJSA-N	-1	0	381.178	2.392	50	30		GEEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O	ZINC000004680194	531516101	/nfs/dbraw/zinc/51/61/01/531516101.db2.gz	PYELENKDPBPURB-POHAHGRESA-N	-1	0	395.209	2.201	50	30		GEEARM
O=C([O-])COc1c(I)cc(Br)cc1/C=N/O	ZINC000002761742	531505925	/nfs/dbraw/zinc/50/59/25/531505925.db2.gz	YPEVQDNQCRDEOS-KGVSQERTSA-N	-1	0	399.966	2.325	50	30		GEEARM
N#Cc1ccc(CSCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)cc1	ZINC000170625773	531884805	/nfs/dbraw/zinc/88/48/05/531884805.db2.gz	FRUNEYNYHYHZBH-UHFFFAOYSA-N	-1	0	381.866	2.345	50	30		GEEARM
C=CCN(c1ccccc1C(=O)NCC(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000001046906	203778186	/nfs/dbraw/zinc/77/81/86/203778186.db2.gz	WCRQWDRWDHZXSO-UHFFFAOYSA-N	-1	0	388.445	2.191	50	30		GEEARM
N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nc1N	ZINC000004815251	204078480	/nfs/dbraw/zinc/07/84/80/204078480.db2.gz	LSMIVZIEBTVEFH-UHFFFAOYSA-N	-1	0	387.808	2.490	50	30		GEEARM
COCCCn1cc(C(=O)c2cc(Br)ccc2[O-])cc(C#N)c1=O	ZINC000005863359	204154813	/nfs/dbraw/zinc/15/48/13/204154813.db2.gz	VHVBFTVZEVVGBO-UHFFFAOYSA-N	-1	0	391.221	2.456	50	30		GEEARM
COC(=O)[C@]1([C@@H]2CCCCCCCCCCC2=O)NC(=S)NC([O-])=C1C#N	ZINC000006385071	204176677	/nfs/dbraw/zinc/17/66/77/204176677.db2.gz	JLIUYDYLHQERKV-PJIJBLCYSA-N	-1	0	393.509	2.142	50	30		GEEARM
O=C([O-])c1ccc2c3c1cccc3C(=O)N(OS(=O)(=O)c1ccccc1)C2=O	ZINC000003057001	205721959	/nfs/dbraw/zinc/72/19/59/205721959.db2.gz	NSTLWHSMPLBQQH-UHFFFAOYSA-N	-1	0	397.364	2.455	50	30		GEEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000100150396	520888266	/nfs/dbraw/zinc/88/82/66/520888266.db2.gz	ASIUPUUVNQNFQY-NVNXTCNLSA-N	-1	0	375.197	2.131	50	30		GEEARM
COc1ccccc1C=NNC1=N[C@@H](CC(=O)Nc2ccccc2Cl)C([O-])=N1	ZINC000071281583	524324618	/nfs/dbraw/zinc/32/46/18/524324618.db2.gz	VQLBTBYNVQPQIQ-FPQGOQEYSA-N	-1	0	399.838	2.155	50	30		GEEARM
C=CCOC(=O)NCCCC[C@@H](NC(C)=C1C(=O)CC(C)(C)CC1=O)C(=O)[O-]	ZINC000095495901	526684523	/nfs/dbraw/zinc/68/45/23/526684523.db2.gz	CGMZCJHZQZOPBT-CQSZACIVSA-N	-1	0	394.468	2.344	50	30		GEEARM
O=C([O-])CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(O)c2)cc1	ZINC000013362025	527592203	/nfs/dbraw/zinc/59/22/03/527592203.db2.gz	WFBKLGGITAVZLM-RUDMXATFSA-N	-1	0	375.402	2.041	50	30		GEEARM
O=C(COc1ccc2c(c1)CCC(=O)N2)[N-]S(=O)(=O)c1ccccc1F	ZINC000048588569	570253267	/nfs/dbraw/zinc/25/32/67/570253267.db2.gz	NJYFCIYFAVBKJQ-UHFFFAOYSA-N	-1	0	378.381	2.435	50	30		GEEARM
O=C1CS/C(=N/N=C/c2cc(Br)cc(Br)c2[O-])N1	ZINC000005065632	570409994	/nfs/dbraw/zinc/40/99/94/570409994.db2.gz	XNOWWTBMMKXRCZ-QLKAYGNNSA-N	-1	0	393.060	2.470	50	30		GEEARM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)CC1	ZINC000052766436	570802988	/nfs/dbraw/zinc/80/29/88/570802988.db2.gz	VPQWIFZBCLDDDY-UHFFFAOYSA-N	-1	0	380.466	2.195	50	30		GEEARM
CCCN(CC)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1	ZINC000089958866	570921539	/nfs/dbraw/zinc/92/15/39/570921539.db2.gz	VUKRDPZEALHJJK-UHFFFAOYSA-N	-1	0	392.481	2.054	50	30		GEEARM
O=C(CCOCC(F)(F)F)[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000048536361	642652865	/nfs/dbraw/zinc/65/28/65/642652865.db2.gz	FOISCCGFAPFPLO-UHFFFAOYSA-N	-1	0	383.344	2.462	50	30		GEEARM
COc1ccc(-c2cnnc(N=NCc3ccccc3OCC(=O)[O-])n2)cc1	ZINC000004144845	230833025	/nfs/dbraw/zinc/83/30/25/230833025.db2.gz	VKWBCXTWBIZSAM-KEBDBYFISA-N	-1	0	379.376	2.457	50	30		GEEARM
C#CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1OC	ZINC000017185553	531573308	/nfs/dbraw/zinc/57/33/08/531573308.db2.gz	JYPHXGVXKJFIFP-UVTDQMKNSA-N	-1	0	377.443	2.383	50	30		GEEARM
COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CS3)c1	ZINC000058185300	531827873	/nfs/dbraw/zinc/82/78/73/531827873.db2.gz	ZKNGVNRZKREPLL-UHFFFAOYSA-N	-1	0	378.431	2.433	50	30		GEEARM
COC(=O)C(C(=O)OC)[C@H](C(=C([O-])c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000004860402	204083517	/nfs/dbraw/zinc/08/35/17/204083517.db2.gz	YMLAXZBQLKQDKF-WBVHZDCISA-N	-1	0	385.372	2.261	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005091496	204110543	/nfs/dbraw/zinc/11/05/43/204110543.db2.gz	YPLRCLCSESITFB-INIZCTEOSA-N	-1	0	382.328	2.258	50	30		GEEARM
COc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1	ZINC000004999548	204101356	/nfs/dbraw/zinc/10/13/56/204101356.db2.gz	XBKCDPPTWSQTQB-UHFFFAOYSA-N	-1	0	376.463	2.321	50	30		GEEARM
COc1ccc(/C=N/C(=O)c2cnn(-c3ccccc3)c2N)c(C(=O)[O-])c1OC	ZINC000005478049	204134791	/nfs/dbraw/zinc/13/47/91/204134791.db2.gz	XIADYLUIRPWHSM-LSHDLFTRSA-N	-1	0	394.387	2.429	50	30		GEEARM
COc1cccc(N2CCN(C3=NC4(CCCCC4)C(C#N)=C([O-])N3)CC2)c1	ZINC000008742801	204287940	/nfs/dbraw/zinc/28/79/40/204287940.db2.gz	YQPPJGBKNFIAEH-GOSISDBHSA-N	-1	0	381.480	2.146	50	30		GEEARM
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccccc1C#N	ZINC000012201681	204382092	/nfs/dbraw/zinc/38/20/92/204382092.db2.gz	KDPBEYHYMNNGOG-UHFFFAOYSA-N	-1	0	385.401	2.021	50	30		GEEARM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCO3)cc1C(F)(F)F	ZINC000042315453	205079125	/nfs/dbraw/zinc/07/91/25/205079125.db2.gz	FABJYIFWPHWNPU-UHFFFAOYSA-N	-1	0	398.318	2.424	50	30		GEEARM
C=CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)CC1	ZINC000033274698	518884247	/nfs/dbraw/zinc/88/42/47/518884247.db2.gz	NTVGOFJSOWLQHW-UHFFFAOYSA-N	-1	0	375.450	2.426	50	30		GEEARM
C=CCOC(=O)NCCCC[C@H](NC(C)=C1C(=O)CC(C)(C)CC1=O)C(=O)[O-]	ZINC000074921884	518975954	/nfs/dbraw/zinc/97/59/54/518975954.db2.gz	CGMZCJHZQZOPBT-AWEZNQCLSA-N	-1	0	394.468	2.344	50	30		GEEARM
CCOc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1	ZINC000097127669	520851061	/nfs/dbraw/zinc/85/10/61/520851061.db2.gz	KCLKGHSCGVFUCH-FLIBITNWSA-N	-1	0	399.432	2.420	50	30		GEEARM
COc1ccccc1N=Nc1c(C)[n-]n(S(=O)(=O)Cc2ccccc2)c1=O	ZINC000005433553	524532872	/nfs/dbraw/zinc/53/28/72/524532872.db2.gz	TUMQTCOVLVZRGI-JZJYNLBNSA-N	-1	0	386.433	2.211	50	30		GEEARM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1COc2ccccc2C1	ZINC000071808799	527158901	/nfs/dbraw/zinc/15/89/01/527158901.db2.gz	FICYDBDUPXROFI-CYBMUJFWSA-N	-1	0	375.402	2.354	50	30		GEEARM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1COc2ccccc2C1	ZINC000071808798	527159595	/nfs/dbraw/zinc/15/95/95/527159595.db2.gz	FICYDBDUPXROFI-ZDUSSCGKSA-N	-1	0	375.402	2.354	50	30		GEEARM
Cc1cccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)c1	ZINC000006302246	570366559	/nfs/dbraw/zinc/36/65/59/570366559.db2.gz	XZOAEPAEJHMSIU-HMMYKYKNSA-N	-1	0	382.405	2.161	50	30		GEEARM
COc1ccccc1N1CCN(C2=NC3(CCCCC3)C(C#N)=C([O-])N2)CC1	ZINC000013945690	570807520	/nfs/dbraw/zinc/80/75/20/570807520.db2.gz	WTEBHZVLENBJLB-MRXNPFEDSA-N	-1	0	381.480	2.146	50	30		GEEARM
Cc1ccccc1/C=C1\Oc2c(ccc([O-])c2CN2CCN(CCO)CC2)C1=O	ZINC000022939667	570914488	/nfs/dbraw/zinc/91/44/88/570914488.db2.gz	WUJJWLUMPHSVER-STZFKDTASA-N	-1	0	394.471	2.427	50	30		GEEARM
COCc1cc(C)nc(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1C#N	ZINC000252427081	570955024	/nfs/dbraw/zinc/95/50/24/570955024.db2.gz	VPKDURIMTKHWNP-UHFFFAOYSA-N	-1	0	386.324	2.376	50	30		GEEARM
COC(=O)COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000083891311	570976364	/nfs/dbraw/zinc/97/63/64/570976364.db2.gz	YQFQQLPZJYMPAN-UHFFFAOYSA-N	-1	0	385.344	2.210	50	30		GEEARM
COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O	ZINC000105640102	643213339	/nfs/dbraw/zinc/21/33/39/643213339.db2.gz	QOWRPIIQMGEATP-JZIMQPMSSA-N	-1	0	381.178	2.392	50	30		GEEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)NC1=O	ZINC000004543238	230835864	/nfs/dbraw/zinc/83/58/64/230835864.db2.gz	ZVSWXLSZRQGRLK-PZUDMAOCSA-N	-1	0	397.412	2.302	50	30		GEEARM
O=C([N-]S(=O)(=O)c1cncc(Br)c1)c1ccc2c(c1)CCO2	ZINC000058391286	531832156	/nfs/dbraw/zinc/83/21/56/531832156.db2.gz	KBWJYHPKZYFSGE-UHFFFAOYSA-N	-1	0	383.223	2.473	50	30		GEEARM
N#Cc1cccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1	ZINC000170650455	531885718	/nfs/dbraw/zinc/88/57/18/531885718.db2.gz	RBJTYBNBBZPWJJ-GJZGRUSLSA-N	-1	0	375.837	2.356	50	30		GEEARM
Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(CCO)CC3)C2=O)cc1	ZINC000022468221	203830081	/nfs/dbraw/zinc/83/00/81/203830081.db2.gz	LLCLXVKBLQIFIN-STZFKDTASA-N	-1	0	394.471	2.427	50	30		GEEARM
CCc1ccc(N2C(=O)C(=CNc3ccc(OC)cn3)C(=O)[N-]C2=S)cc1	ZINC000004738583	204071097	/nfs/dbraw/zinc/07/10/97/204071097.db2.gz	QFBNJFWKKYNXSO-UGVMZYNRSA-N	-1	0	382.445	2.419	50	30		GEEARM
O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005595961	204141178	/nfs/dbraw/zinc/14/11/78/204141178.db2.gz	VEEIEOLUWCJBAU-HMNTXPNISA-N	-1	0	396.355	2.491	50	30		GEEARM
O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000005595968	204141700	/nfs/dbraw/zinc/14/17/00/204141700.db2.gz	VEEIEOLUWCJBAU-FXBHHXAOSA-N	-1	0	396.355	2.491	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000007325509	204239157	/nfs/dbraw/zinc/23/91/57/204239157.db2.gz	RYVZHYOFWQLYRM-QGZVFWFLSA-N	-1	0	399.472	2.409	50	30		GEEARM
C[C@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000240897295	206125928	/nfs/dbraw/zinc/12/59/28/206125928.db2.gz	IRVUPMOGXQSJAL-ZANVPECISA-N	-1	0	399.266	2.131	50	30		GEEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCc2ccncc2)c1=O	ZINC000100643344	519260913	/nfs/dbraw/zinc/26/09/13/519260913.db2.gz	WWKCRIVIASJWIF-UHFFFAOYSA-N	-1	0	395.415	2.235	50	30		GEEARM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])ccc1O	ZINC000103980773	522951190	/nfs/dbraw/zinc/95/11/90/522951190.db2.gz	KCCJQDZLTYWHCM-GHNGSUTGSA-N	-1	0	397.383	2.297	50	30		GEEARM
COc1ccc(C=CC(=O)c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)cc1	ZINC000009329894	523398815	/nfs/dbraw/zinc/39/88/15/523398815.db2.gz	BXONBFOQRUWMLT-FMIVXFBMSA-N	-1	0	392.411	2.390	50	30		GEEARM
COc1ccc([C@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)NC(C)=O)cc1	ZINC000040129898	525343007	/nfs/dbraw/zinc/34/30/07/525343007.db2.gz	LNXNYYHBRGWTFH-INIZCTEOSA-N	-1	0	377.422	2.003	50	30		GEEARM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC#N)CC2	ZINC000065563560	525475314	/nfs/dbraw/zinc/47/53/14/525475314.db2.gz	VAKSPFHCUOXJFJ-UHFFFAOYSA-N	-1	0	388.405	2.290	50	30		GEEARM
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3N)c(=O)[n-]2)cc1	ZINC000006508265	570460966	/nfs/dbraw/zinc/46/09/66/570460966.db2.gz	MIRYTYZCXRVVCJ-UHFFFAOYSA-N	-1	0	378.417	2.017	50	30		GEEARM
N=C(NN=Cc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000102115995	570841191	/nfs/dbraw/zinc/84/11/91/570841191.db2.gz	XBUXGNLHTVPZOU-UGVMZYNRSA-N	-1	0	396.428	2.308	50	30		GEEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O	ZINC000091807782	570924323	/nfs/dbraw/zinc/92/43/23/570924323.db2.gz	YSFOWKSDGJSKAS-OAQYLSRUSA-N	-1	0	382.464	2.222	50	30		GEEARM
C[C@@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000084001519	570989848	/nfs/dbraw/zinc/98/98/48/570989848.db2.gz	GQCLUXQAOWVCMQ-CYBMUJFWSA-N	-1	0	377.466	2.430	50	30		GEEARM
CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C#N)[C@@H]1CCOC1	ZINC000594719974	532521842	/nfs/dbraw/zinc/52/18/42/532521842.db2.gz	ALOWNLILTGQULY-RISCZKNCSA-N	-1	0	389.271	2.114	50	30		GEEARM
N#Cc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000007056102	204230787	/nfs/dbraw/zinc/23/07/87/204230787.db2.gz	BTPRKEJPQBSWDQ-UHFFFAOYSA-N	-1	0	391.474	2.144	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000007325508	204238194	/nfs/dbraw/zinc/23/81/94/204238194.db2.gz	RYVZHYOFWQLYRM-KRWDZBQOSA-N	-1	0	399.472	2.409	50	30		GEEARM
C[C@H]1CCc2nc(SCC(=O)NCC(=O)[O-])c(C#N)c(C(F)(F)F)c2C1	ZINC000008382625	204274081	/nfs/dbraw/zinc/27/40/81/204274081.db2.gz	WFZYCKQTMOLOHC-QMMMGPOBSA-N	-1	0	387.383	2.390	50	30		GEEARM
CCS(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000064100178	205188833	/nfs/dbraw/zinc/18/88/33/205188833.db2.gz	SNJNZMNGQZJVRL-UHFFFAOYSA-N	-1	0	378.431	2.045	50	30		GEEARM
COc1ccc(-c2nc(SCC(=O)NCC(F)(F)F)[n-]c(=O)c2C#N)cc1	ZINC000030587771	206075605	/nfs/dbraw/zinc/07/56/05/206075605.db2.gz	WSETXGWTAQPPMQ-UHFFFAOYSA-N	-1	0	398.366	2.088	50	30		GEEARM
C[C@@H]1CC(=O)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000240897293	206126175	/nfs/dbraw/zinc/12/61/75/206126175.db2.gz	IRVUPMOGXQSJAL-RNCFNFMXSA-N	-1	0	399.266	2.131	50	30		GEEARM
C=CCn1c(SCC(=O)[O-])nnc1[C@H](C)NC(=O)c1ccc(OC)cc1	ZINC000072328139	519229313	/nfs/dbraw/zinc/22/93/13/519229313.db2.gz	PQISCVINGDCSET-NSHDSACASA-N	-1	0	376.438	2.140	50	30		GEEARM
CC(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O	ZINC000100227742	520173394	/nfs/dbraw/zinc/17/33/94/520173394.db2.gz	IXNSFHLMNQUIQI-GFCCVEGCSA-N	-1	0	382.457	2.176	50	30		GEEARM
N#Cc1cccc(S(=O)(=O)[N-]C(=O)CCNC(=O)c2ccc(F)cc2F)c1	ZINC000048598908	526729052	/nfs/dbraw/zinc/72/90/52/526729052.db2.gz	OHIRRUVLPQIYBG-UHFFFAOYSA-N	-1	0	393.371	2.302	50	30		GEEARM
O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102525490	527590164	/nfs/dbraw/zinc/59/01/64/527590164.db2.gz	BFWUJHRHFWCTDF-HVESIFNPSA-N	-1	0	396.355	2.491	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102581018	527608476	/nfs/dbraw/zinc/60/84/76/527608476.db2.gz	SJVQTEABOSGTRD-IBOXJLQUSA-N	-1	0	382.328	2.101	50	30		GEEARM
C=CCN1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000016225628	570249323	/nfs/dbraw/zinc/24/93/23/570249323.db2.gz	LEEDAAQGAMPLNL-UVIKPUKZSA-N	-1	0	390.417	2.200	50	30		GEEARM
Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)s1	ZINC000048507880	570252617	/nfs/dbraw/zinc/25/26/17/570252617.db2.gz	GMRQOXDHNOOVFU-UHFFFAOYSA-N	-1	0	377.447	2.145	50	30		GEEARM
Cc1ccc(C(=O)NCC(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)s1	ZINC000048505151	570252631	/nfs/dbraw/zinc/25/26/31/570252631.db2.gz	JBPKOXWKPXAXMF-UHFFFAOYSA-N	-1	0	377.447	2.145	50	30		GEEARM
COc1ccc(Cl)cc1NC(=O)C[C@H]1N=C(NN=Cc2ccccc2)N=C1[O-]	ZINC000061721332	570504459	/nfs/dbraw/zinc/50/44/59/570504459.db2.gz	CJDLHPGFFYIIOT-ZGFXFUDXSA-N	-1	0	399.838	2.155	50	30		GEEARM
N#Cc1ccc(OCc2ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)o2)cc1	ZINC000170646024	570982826	/nfs/dbraw/zinc/98/28/26/570982826.db2.gz	VMTUDQLGKVJIRX-UHFFFAOYSA-N	-1	0	388.323	2.352	50	30		GEEARM
Cc1cc(=O)n2nc(CC(=O)N(CC#Cc3ccccc3)CC(C)C)[n-]c2n1	ZINC000063845148	570997909	/nfs/dbraw/zinc/99/79/09/570997909.db2.gz	SZRUBXDULMHOHG-UHFFFAOYSA-N	-1	0	377.448	2.217	50	30		GEEARM
CCOc1ccc(CC(=O)C2=C(NCC(=O)[O-])CCCC2=O)cc1OCC	ZINC000001421803	570998906	/nfs/dbraw/zinc/99/89/06/570998906.db2.gz	PVNVJPINRLCFFZ-UHFFFAOYSA-N	-1	0	375.421	2.277	50	30		GEEARM
N#Cc1cccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1	ZINC000170650461	531886877	/nfs/dbraw/zinc/88/68/77/531886877.db2.gz	RBJTYBNBBZPWJJ-HUUCEWRRSA-N	-1	0	375.837	2.356	50	30		GEEARM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)cc1C(F)(F)F	ZINC000119785639	531973338	/nfs/dbraw/zinc/97/33/38/531973338.db2.gz	MMQYTHCPAUNCGX-LLVKDONJSA-N	-1	0	376.356	2.341	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000016956944	207080483	/nfs/dbraw/zinc/08/04/83/207080483.db2.gz	ATCLINJZICZQQE-MRXNPFEDSA-N	-1	0	382.328	2.258	50	30		GEEARM
CC(C)n1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000089894088	208111795	/nfs/dbraw/zinc/11/17/95/208111795.db2.gz	FMNDGCRINLPQLM-LBPRGKRZSA-N	-1	0	386.474	2.108	50	30		GEEARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000009154062	221071442	/nfs/dbraw/zinc/07/14/42/221071442.db2.gz	IMUICUYJSDSJSV-UHFFFAOYSA-N	-1	0	376.390	2.163	50	30		GEEARM
COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])/C2=N/[O-]	ZINC000100278447	521915102	/nfs/dbraw/zinc/91/51/02/521915102.db2.gz	SXTVVRDTFBXEHR-JQIJEIRASA-N	-1	0	388.248	2.405	50	30		GEEARM
COc1cccc(CN=Nc2nncc(-c3ccccc3)n2)c1OCC(=O)[O-]	ZINC000015017637	525773643	/nfs/dbraw/zinc/77/36/43/525773643.db2.gz	SDAHPYVVDBWQSK-KEBDBYFISA-N	-1	0	379.376	2.457	50	30		GEEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1ccccc1F	ZINC000022468245	527122432	/nfs/dbraw/zinc/12/24/32/527122432.db2.gz	VPTGWQJVNJKZPY-MOSHPQCFSA-N	-1	0	398.434	2.257	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N\N=C/c2ccccc2O)N(c2ccc(O)cc2)C1=O	ZINC000005023196	570400208	/nfs/dbraw/zinc/40/02/08/570400208.db2.gz	ZYQFBMNMGDEGFH-UJAXPPEISA-N	-1	0	385.401	2.411	50	30		GEEARM
COc1ccc(S(=O)(=O)[N-]NC(=S)NCCc2ccccc2)c(OC)c1	ZINC000005060755	570427288	/nfs/dbraw/zinc/42/72/88/570427288.db2.gz	XYXBSEKIJQTXCQ-UHFFFAOYSA-N	-1	0	395.506	2.015	50	30		GEEARM
Cc1nc(=O)[n-]c(SCC(=O)Nc2cc3c(cc2Cl)OCCO3)c1C#N	ZINC000032858410	570856570	/nfs/dbraw/zinc/85/65/70/570856570.db2.gz	LGEWMLQSZIAPCJ-UHFFFAOYSA-N	-1	0	392.824	2.105	50	30		GEEARM
CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CC2)c1	ZINC000083989906	570988880	/nfs/dbraw/zinc/98/88/80/570988880.db2.gz	QEPXSHQNHQNAMK-UHFFFAOYSA-N	-1	0	379.459	2.467	50	30		GEEARM
COCCn1cc(C(=O)c2cc(Br)ccc2[O-])cc(C#N)c1=O	ZINC000005860887	531521161	/nfs/dbraw/zinc/52/11/61/531521161.db2.gz	YPDOGEYIDPUMMF-UHFFFAOYSA-N	-1	0	377.194	2.065	50	30		GEEARM
C=CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)NC1=S	ZINC000004624642	206227511	/nfs/dbraw/zinc/22/75/11/206227511.db2.gz	BRNARUPOMYTHDQ-RDTXWAMCSA-N	-1	0	386.433	2.376	50	30		GEEARM
COC(=O)c1sc([N-]N=C2C(=O)CC(C)(C)CC2=O)c(C(=O)OC)c1C	ZINC000000945120	206335572	/nfs/dbraw/zinc/33/55/72/206335572.db2.gz	BYXACYUBKPALPW-UHFFFAOYSA-N	-1	0	380.422	2.356	50	30		GEEARM
N#Cc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000096361193	208309869	/nfs/dbraw/zinc/30/98/69/208309869.db2.gz	JUPLDPRFHNGWGY-UHFFFAOYSA-N	-1	0	385.380	2.474	50	30		GEEARM
N#Cc1c2c(sc1NC(=O)Cn1nc(C(=O)[O-])c3ccccc3c1=O)CCC2	ZINC000007785276	208690886	/nfs/dbraw/zinc/69/08/86/208690886.db2.gz	AONVQJBVUUXGOU-UHFFFAOYSA-N	-1	0	394.412	2.155	50	30		GEEARM
COc1ccc(-c2cnnc(N=NCc3ccc(OCC(=O)[O-])cc3)n2)cc1	ZINC000005917852	523157818	/nfs/dbraw/zinc/15/78/18/523157818.db2.gz	WMIMEUWGKFVKNC-KEBDBYFISA-N	-1	0	379.376	2.457	50	30		GEEARM
COC(=O)[C@]1(O)C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1	ZINC000100779983	524017475	/nfs/dbraw/zinc/01/74/75/524017475.db2.gz	WOSXGIOYGIYJBX-LJQANCHMSA-N	-1	0	387.775	2.243	50	30		GEEARM
Cn1cc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1C(N)=O	ZINC000028244131	527291773	/nfs/dbraw/zinc/29/17/73/527291773.db2.gz	NLECTMBYSREBGV-UHFFFAOYSA-N	-1	0	385.470	2.386	50	30		GEEARM
CN(C)C(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1	ZINC000089312117	570445835	/nfs/dbraw/zinc/44/58/35/570445835.db2.gz	RHSUCIKVDWTOCD-UHFFFAOYSA-N	-1	0	395.368	2.129	50	30		GEEARM
O=C([O-])c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1	ZINC000005673016	570798726	/nfs/dbraw/zinc/79/87/26/570798726.db2.gz	GGOGASVIGCGHDI-UHFFFAOYSA-N	-1	0	378.384	2.420	50	30		GEEARM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000012520880	570827594	/nfs/dbraw/zinc/82/75/94/570827594.db2.gz	QSCDQJMUKYJKDI-UHFFFAOYSA-N	-1	0	379.463	2.047	50	30		GEEARM
Cc1cccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(CCO)CC3)C2=O)c1	ZINC000022939893	570914714	/nfs/dbraw/zinc/91/47/14/570914714.db2.gz	SPEXAFORMVJATD-STZFKDTASA-N	-1	0	394.471	2.427	50	30		GEEARM
CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCO3)s1	ZINC000058047949	531825642	/nfs/dbraw/zinc/82/56/42/531825642.db2.gz	MPWCPDDPBRZZQA-UHFFFAOYSA-N	-1	0	380.447	2.013	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2ccsc21	ZINC000170621155	531884628	/nfs/dbraw/zinc/88/46/28/531884628.db2.gz	VIBTVYUWBLVAJN-HNNXBMFYSA-N	-1	0	376.459	2.270	50	30		GEEARM
CNC(=O)c1[nH]cnc1[N-]N=C(C#N)C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000004635197	209121022	/nfs/dbraw/zinc/12/10/22/209121022.db2.gz	GJBFGWXTYIQODJ-VROXFSQNSA-N	-1	0	379.302	2.368	50	30		GEEARM
C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)NC1=S	ZINC000009109452	206246252	/nfs/dbraw/zinc/24/62/52/206246252.db2.gz	NEBBYAXOOGYDDZ-UVTDQMKNSA-N	-1	0	382.397	2.458	50	30		GEEARM
COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc5c(c4)OCO5)c3=O)c2c1	ZINC000002281983	206406620	/nfs/dbraw/zinc/40/66/20/206406620.db2.gz	CXIJDHLHGDBKQC-DNTJNYDQSA-N	-1	0	378.344	2.203	50	30		GEEARM
CC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(Br)ccc1OCC(=O)[O-]	ZINC000004952449	206576102	/nfs/dbraw/zinc/57/61/02/206576102.db2.gz	WFRXJMBTAJIXJC-AWEZNQCLSA-N	-1	0	399.266	2.294	50	30		GEEARM
C[C@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1	ZINC000095957019	208243263	/nfs/dbraw/zinc/24/32/63/208243263.db2.gz	TZHVWDAEFQJTOX-NSHDSACASA-N	-1	0	379.825	2.020	50	30		GEEARM
COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4ccc(O)c(OC)c4)c3=O)c2c1	ZINC000008768198	221056578	/nfs/dbraw/zinc/05/65/78/221056578.db2.gz	RTVXNQGCBUOFOO-AWQFTUOYSA-N	-1	0	380.360	2.188	50	30		GEEARM
COc1ccccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-]	ZINC000071280011	524601059	/nfs/dbraw/zinc/60/10/59/524601059.db2.gz	MJUDPXBUVWRWEM-FPQGOQEYSA-N	-1	0	399.838	2.155	50	30		GEEARM
C[C@@H](NC(=S)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000005042039	526235640	/nfs/dbraw/zinc/23/56/40/526235640.db2.gz	MGDJTRNGWLQROU-LLVKDONJSA-N	-1	0	380.451	2.425	50	30		GEEARM
COC(=O)c1scc(C#N)c1[N-]/N=C(\C#N)S(=O)(=O)c1cccs1	ZINC000003083081	570328056	/nfs/dbraw/zinc/32/80/56/570328056.db2.gz	XRTSQEYCWCLLDE-CXUHLZMHSA-N	-1	0	380.432	2.191	50	30		GEEARM
COC(=O)c1cccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c1C	ZINC000101649272	570828585	/nfs/dbraw/zinc/82/85/85/570828585.db2.gz	CIAUUAMQVJVOHR-LSHDLFTRSA-N	-1	0	397.362	2.216	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1COc2ccc(Cl)cc2C1	ZINC000042306562	570889327	/nfs/dbraw/zinc/88/93/27/570889327.db2.gz	HARHWJPGHNPWDI-HNNXBMFYSA-N	-1	0	390.848	2.409	50	30		GEEARM
O=C([O-])c1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1	ZINC000252596084	571003755	/nfs/dbraw/zinc/00/37/55/571003755.db2.gz	CGXJKCDXAYZXEF-UHFFFAOYSA-N	-1	0	381.440	2.216	50	30		GEEARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000252608115	571008043	/nfs/dbraw/zinc/00/80/43/571008043.db2.gz	HGPUETHOTHAHOE-UHFFFAOYSA-N	-1	0	397.347	2.044	50	30		GEEARM
O=C([O-])c1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1	ZINC000100119752	208372659	/nfs/dbraw/zinc/37/26/59/208372659.db2.gz	RKRRTHBMNDJIQQ-UHFFFAOYSA-N	-1	0	378.384	2.420	50	30		GEEARM
N#Cc1ccc(/C=C/C(=O)c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)cc1	ZINC000012798041	208776615	/nfs/dbraw/zinc/77/66/15/208776615.db2.gz	KZBQMGFPWBBAHV-CMDGGOBGSA-N	-1	0	384.413	2.207	50	30		GEEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCc2cccnc2)c1=O	ZINC000100643342	519261015	/nfs/dbraw/zinc/26/10/15/519261015.db2.gz	HYZNBYOLCBTEMM-UHFFFAOYSA-N	-1	0	395.415	2.235	50	30		GEEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1	ZINC000103867061	523788981	/nfs/dbraw/zinc/78/89/81/523788981.db2.gz	PCDIRTGCMNVOHB-SELCWUDQSA-N	-1	0	383.400	2.469	50	30		GEEARM
COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1	ZINC000103867069	523789639	/nfs/dbraw/zinc/78/96/39/523789639.db2.gz	PCDIRTGCMNVOHB-GHNGSUTGSA-N	-1	0	383.400	2.469	50	30		GEEARM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102619863	525943341	/nfs/dbraw/zinc/94/33/41/525943341.db2.gz	UHKSXECUZKIXPK-GROYHEBESA-N	-1	0	396.355	2.410	50	30		GEEARM
Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1[N+](=O)[O-]	ZINC000040129934	526081313	/nfs/dbraw/zinc/08/13/13/526081313.db2.gz	SPZNYWPMDMYUIH-UHFFFAOYSA-N	-1	0	375.362	2.091	50	30		GEEARM
Cc1nnc(/N=C(\[O-])c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)s1	ZINC000020356165	526322963	/nfs/dbraw/zinc/32/29/63/526322963.db2.gz	OVYKXYUTTCIKQT-UHFFFAOYSA-N	-1	0	387.377	2.182	50	30		GEEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1cccs1	ZINC000020503488	527122841	/nfs/dbraw/zinc/12/28/41/527122841.db2.gz	JCEFSEZRZWZUPI-PDGQHHTCSA-N	-1	0	386.473	2.180	50	30		GEEARM
CCOC(=O)NC([O-])=C(C#N)C=NOCCOc1cccc(C(F)(F)F)c1	ZINC000005196104	570431106	/nfs/dbraw/zinc/43/11/06/570431106.db2.gz	NNQDNAXLALNNHC-GVHCZZSVSA-N	-1	0	387.314	2.499	50	30		GEEARM
CCc1ccc2[n-]c(C(C#N)=C3NS(=O)(=O)c4ccccc43)nc(=O)c2c1	ZINC000005266713	570533812	/nfs/dbraw/zinc/53/38/12/570533812.db2.gz	SBJFGLRZORNJAJ-CQSZACIVSA-N	-1	0	378.413	2.284	50	30		GEEARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC#N	ZINC000004614879	570671103	/nfs/dbraw/zinc/67/11/03/570671103.db2.gz	PLJJMXSSKZSDLL-XNTDXEJSSA-N	-1	0	395.346	2.403	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N\N=C\c2ccccc2O)N(c2ccc(O)cc2)C1=O	ZINC000001206008	570793762	/nfs/dbraw/zinc/79/37/62/570793762.db2.gz	ZYQFBMNMGDEGFH-ZUDFPBEBSA-N	-1	0	385.401	2.411	50	30		GEEARM
COC(=O)c1sc(S(=O)(=O)[N-]C(=O)C=C(C)C)c(C(=O)OC)c1C	ZINC000042346534	570889738	/nfs/dbraw/zinc/88/97/38/570889738.db2.gz	WDIHENHYJPJQAQ-UHFFFAOYSA-N	-1	0	375.424	2.241	50	30		GEEARM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1	ZINC000046927134	570937569	/nfs/dbraw/zinc/93/75/69/570937569.db2.gz	XBDRRAFOBHJWFT-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
C/C(=N\N=C1/NC(=O)C[C@H](C(=O)[O-])S1)c1ccc(Br)s1	ZINC000004535382	531515435	/nfs/dbraw/zinc/51/54/35/531515435.db2.gz	YKHPTWYVACCXKF-LTCVEOEISA-N	-1	0	376.257	2.297	50	30		GEEARM
C=CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)NC1=S	ZINC000004624645	206227542	/nfs/dbraw/zinc/22/75/42/206227542.db2.gz	BRNARUPOMYTHDQ-KDOFPFPSSA-N	-1	0	386.433	2.376	50	30		GEEARM
CC(C)n1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1	ZINC000089894087	208112352	/nfs/dbraw/zinc/11/23/52/208112352.db2.gz	FMNDGCRINLPQLM-GFCCVEGCSA-N	-1	0	386.474	2.108	50	30		GEEARM
COc1cc(/C=N/n2c([O-])nc3c4cc(C)ccc4[nH]c3c2=O)cc(OC)c1O	ZINC000008767549	221056765	/nfs/dbraw/zinc/05/67/65/221056765.db2.gz	JVIBQMKNSMZCBA-ZVBGSRNCSA-N	-1	0	394.387	2.497	50	30		GEEARM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000005764264	518943792	/nfs/dbraw/zinc/94/37/92/518943792.db2.gz	CBRXUGKPZYICKC-UHFFFAOYSA-N	-1	0	376.434	2.420	50	30		GEEARM
C=CCOc1cccc(-c2nnc(CCC(=O)NC[C@@H]3CCCO3)c(=O)[n-]2)c1	ZINC000034764713	519051814	/nfs/dbraw/zinc/05/18/14/519051814.db2.gz	XWEYJPQIJVSCTB-INIZCTEOSA-N	-1	0	384.436	2.037	50	30		GEEARM
C=CCn1c(=O)[nH]c([O-])c(C(=O)C=Cc2ccc(Br)cc2)c1=O	ZINC000016972294	519153248	/nfs/dbraw/zinc/15/32/48/519153248.db2.gz	HFYNMPHRFCGYLT-VMPITWQZSA-N	-1	0	377.194	2.087	50	30		GEEARM
CCOc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1	ZINC000040129807	520847627	/nfs/dbraw/zinc/84/76/27/520847627.db2.gz	KCLKGHSCGVFUCH-DHZHZOJOSA-N	-1	0	399.432	2.420	50	30		GEEARM
COc1ccc(S(=O)(=O)N/N=C(/C)c2ccccc2C(=O)[O-])c(OC)c1	ZINC000017077348	525016710	/nfs/dbraw/zinc/01/67/10/525016710.db2.gz	AHJVQKRKCFKDDR-WQRHYEAKSA-N	-1	0	378.406	2.105	50	30		GEEARM
C[C@H](NC(=S)N[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000005042038	525916748	/nfs/dbraw/zinc/91/67/48/525916748.db2.gz	MGDJTRNGWLQROU-NSHDSACASA-N	-1	0	380.451	2.425	50	30		GEEARM
Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)[O-])[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102619856	525940960	/nfs/dbraw/zinc/94/09/60/525940960.db2.gz	UHKSXECUZKIXPK-HVESIFNPSA-N	-1	0	396.355	2.410	50	30		GEEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1ccc(F)cc1	ZINC000022468227	527123505	/nfs/dbraw/zinc/12/35/05/527123505.db2.gz	IJJYJIAFHOIAMF-MOSHPQCFSA-N	-1	0	398.434	2.257	50	30		GEEARM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3COc4ccccc4O3)c2)cc1	ZINC000206847952	570755885	/nfs/dbraw/zinc/75/58/85/570755885.db2.gz	ODHTXHWJGBUOOS-INIZCTEOSA-N	-1	0	396.428	2.396	50	30		GEEARM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1	ZINC000042308501	570889278	/nfs/dbraw/zinc/88/92/78/570889278.db2.gz	AJBLOEQSGOKBCL-HNNXBMFYSA-N	-1	0	390.848	2.409	50	30		GEEARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1[N+](=O)[O-]	ZINC000024578448	570912901	/nfs/dbraw/zinc/91/29/01/570912901.db2.gz	UZRQCVRXKNYHBQ-UHFFFAOYSA-N	-1	0	398.404	2.344	50	30		GEEARM
COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)c1	ZINC000046930342	570937622	/nfs/dbraw/zinc/93/76/22/570937622.db2.gz	ZCOJALFCZLBQPU-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000005883945	531520765	/nfs/dbraw/zinc/52/07/65/531520765.db2.gz	LBUGWHPXMVZEHR-RYUDHWBXSA-N	-1	0	393.292	2.247	50	30		GEEARM
N#Cc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1	ZINC000170650457	531887007	/nfs/dbraw/zinc/88/70/07/531887007.db2.gz	RBJTYBNBBZPWJJ-CABCVRRESA-N	-1	0	375.837	2.356	50	30		GEEARM
CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)ccc(F)c2F)cc1	ZINC000095944156	208239477	/nfs/dbraw/zinc/23/94/77/208239477.db2.gz	DOVLMCZEKXKPQZ-UHFFFAOYSA-N	-1	0	386.401	2.431	50	30		GEEARM
Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1	ZINC000151729724	208514974	/nfs/dbraw/zinc/51/49/74/208514974.db2.gz	ODBDSFHUGSHHFA-UHFFFAOYSA-N	-1	0	380.223	2.143	50	30		GEEARM
COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O	ZINC000034771088	521981426	/nfs/dbraw/zinc/98/14/26/521981426.db2.gz	UAYIYPULTASYHN-VQTKUKTRSA-N	-1	0	381.178	2.392	50	30		GEEARM
Cn1c(=O)c(-c2[n-][nH]c(=O)c2N=Nc2ccccc2Cl)c(O)c2ccccc21	ZINC000100353801	534667915	/nfs/dbraw/zinc/66/79/15/534667915.db2.gz	QJRMZHVHEKNYIB-UHFFFAOYSA-N	-1	0	395.806	2.200	50	30		GEEARM
COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4cccc(OC)c4O)c3=O)c2c1	ZINC000017044615	525485461	/nfs/dbraw/zinc/48/54/61/525485461.db2.gz	KRNFCYBVRRRETM-AWQFTUOYSA-N	-1	0	380.360	2.188	50	30		GEEARM
O=[N+]([O-])c1cc(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1[O-]	ZINC000036032853	527325745	/nfs/dbraw/zinc/32/57/45/527325745.db2.gz	HYNSROFRFNQYRU-XDHOZWIPSA-N	-1	0	398.427	2.132	50	30		GEEARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000004738592	570400011	/nfs/dbraw/zinc/40/00/11/570400011.db2.gz	NUOKYAZGDWFGOE-RPJLVFAOSA-N	-1	0	382.332	2.205	50	30		GEEARM
COc1cc(/C=N/n2c([O-])nc3c4ccccc4[nH]c3c2=O)cc(OC)c1O	ZINC000008742566	570539078	/nfs/dbraw/zinc/53/90/78/570539078.db2.gz	VMAWCMPUCCJURC-AWQFTUOYSA-N	-1	0	380.360	2.188	50	30		GEEARM
C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000005574079	570656661	/nfs/dbraw/zinc/65/66/61/570656661.db2.gz	RDHGBWLSSKODNP-LBPRGKRZSA-N	-1	0	387.417	2.114	50	30		GEEARM
COc1ccc(-c2nc(SCC(=O)NCc3ccco3)[n-]c(=O)c2C#N)cc1	ZINC000005634342	570676838	/nfs/dbraw/zinc/67/68/38/570676838.db2.gz	ODXPGFOXAMEXTN-UHFFFAOYSA-N	-1	0	396.428	2.319	50	30		GEEARM
COc1ccc(Br)cc1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000101735976	570831845	/nfs/dbraw/zinc/83/18/45/570831845.db2.gz	JUWNEGCQBFVECL-GFCCVEGCSA-N	-1	0	376.210	2.325	50	30		GEEARM
COc1ccc(C(=O)[N-]S(=O)(=O)c2cc(NC(C)=O)ccc2OC)cc1	ZINC000046930324	570937549	/nfs/dbraw/zinc/93/75/49/570937549.db2.gz	VOBHLKDCMGWKIC-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)/C=C/c2ccncc2)c1	ZINC000151721547	643951886	/nfs/dbraw/zinc/95/18/86/643951886.db2.gz	YCJGPOYXSQNKMV-OWOJBTEDSA-N	-1	0	392.234	2.234	50	30		GEEARM
C=CCN(CC=C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000170598642	206259173	/nfs/dbraw/zinc/25/91/73/206259173.db2.gz	XMARXJHSBUKWMG-UHFFFAOYSA-N	-1	0	399.519	2.307	50	30		GEEARM
O=c1c(C=NN2CCOCC2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1	ZINC000000998628	206341407	/nfs/dbraw/zinc/34/14/07/206341407.db2.gz	RZWCAOZSIPHCOT-AWQFTUOYSA-N	-1	0	397.382	2.460	50	30		GEEARM
COc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)cc(Cl)c1OC	ZINC000042304744	207624750	/nfs/dbraw/zinc/62/47/50/207624750.db2.gz	QEWMNZCZPRVFNH-UHFFFAOYSA-N	-1	0	380.809	2.348	50	30		GEEARM
C=CCSc1ccccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000007709695	221006670	/nfs/dbraw/zinc/00/66/70/221006670.db2.gz	IWXIDLZTPLOYRG-UHFFFAOYSA-N	-1	0	384.504	2.413	50	30		GEEARM
C=CCOc1ccc(-c2nnc(CCC(=O)N3CCCC3)c(=O)[n-]2)cc1OC	ZINC000034766158	519009557	/nfs/dbraw/zinc/00/95/57/519009557.db2.gz	CLRAQDZRUVWHMM-UHFFFAOYSA-N	-1	0	384.436	2.373	50	30		GEEARM
COC(=O)c1cc(N=Cc2c([O-])c3ccccc3oc2=O)cc(C(=O)OC)c1	ZINC000100642446	521875706	/nfs/dbraw/zinc/87/57/06/521875706.db2.gz	XOFZCSLOGSHDFH-GDNBJRDFSA-N	-1	0	381.340	2.358	50	30		GEEARM
COc1cc([N-]S(=O)(=O)c2ccc(N=Cc3ccccc3OC)cc2)ncn1	ZINC000005896045	521882463	/nfs/dbraw/zinc/88/24/63/521882463.db2.gz	XRXMOJXZFGHHDS-UDWIEESQSA-N	-1	0	398.444	2.467	50	30		GEEARM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1S(=O)(=O)NC1CC1	ZINC000040089615	523778604	/nfs/dbraw/zinc/77/86/04/523778604.db2.gz	QICDNUDTOSKVKK-ZDUSSCGKSA-N	-1	0	391.474	2.391	50	30		GEEARM
C[C@@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000095367713	525067652	/nfs/dbraw/zinc/06/76/52/525067652.db2.gz	MQUAUPPQXFFCON-CYBMUJFWSA-N	-1	0	377.466	2.430	50	30		GEEARM
O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1c[nH]c(=O)c(Cl)c1	ZINC000054422363	527446209	/nfs/dbraw/zinc/44/62/09/527446209.db2.gz	YVJXTDZTPDHSCS-UHFFFAOYSA-N	-1	0	391.630	2.484	50	30		GEEARM
COc1ccc(CCNC(=O)N=S(=O)([O-])c2ccc(C)cc2)cc1OC	ZINC000001148085	570248817	/nfs/dbraw/zinc/24/88/17/570248817.db2.gz	JAIKZWMGNPIKII-UHFFFAOYSA-N	-1	0	378.450	2.447	50	30		GEEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000001794773	570268671	/nfs/dbraw/zinc/26/86/71/570268671.db2.gz	SWVBUNAKACUKAT-UHFFFAOYSA-N	-1	0	393.377	2.277	50	30		GEEARM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(Br)ccc2C)c(=O)[nH]1	ZINC000062674301	570796384	/nfs/dbraw/zinc/79/63/84/570796384.db2.gz	QKSQDZUUTOVLND-UHFFFAOYSA-N	-1	0	385.239	2.448	50	30		GEEARM
CCOC(=O)c1cccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)c1	ZINC000101580938	570826802	/nfs/dbraw/zinc/82/68/02/570826802.db2.gz	BDVKOHWQDJXIJM-SSDVNMTOSA-N	-1	0	397.362	2.298	50	30		GEEARM
CCOC(=O)c1ccc(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1	ZINC000101649163	570828727	/nfs/dbraw/zinc/82/87/27/570828727.db2.gz	DTBLQXRPLFCGBB-SSDVNMTOSA-N	-1	0	397.362	2.298	50	30		GEEARM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1	ZINC000003458888	570870302	/nfs/dbraw/zinc/87/03/02/570870302.db2.gz	BPZFVWBGCYMIGG-UHFFFAOYSA-N	-1	0	393.490	2.390	50	30		GEEARM
N#CCCn1c(=O)c(C(=O)NCc2ccc3c(c2)OCO3)c([O-])c2ccccc21	ZINC000170624786	231028440	/nfs/dbraw/zinc/02/84/40/231028440.db2.gz	KEPOEBKPPAQNEP-UHFFFAOYSA-N	-1	0	391.383	2.279	50	30		GEEARM
CCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)[n-]c(=O)c1C#N	ZINC000005238982	531518737	/nfs/dbraw/zinc/51/87/37/531518737.db2.gz	BTSHQCBJVBNQCO-UHFFFAOYSA-N	-1	0	375.479	2.270	50	30		GEEARM
O=C(CCS(=O)(=O)C1CCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000048459237	531732842	/nfs/dbraw/zinc/73/28/42/531732842.db2.gz	ZAVMITJXDBGCLK-UHFFFAOYSA-N	-1	0	381.422	2.358	50	30		GEEARM
C=CCN(CC=C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1	ZINC000170600988	206259024	/nfs/dbraw/zinc/25/90/24/206259024.db2.gz	OZIDQEXWWYZZRG-UHFFFAOYSA-N	-1	0	393.490	2.245	50	30		GEEARM
Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1OCC(N)=O	ZINC000001110487	206353542	/nfs/dbraw/zinc/35/35/42/206353542.db2.gz	HBIKGCPLDIBAJH-UHFFFAOYSA-N	-1	0	379.825	2.185	50	30		GEEARM
COC(=O)C(C(=O)OC)[C@H](C(=C([O-])c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000002287966	206407692	/nfs/dbraw/zinc/40/76/92/206407692.db2.gz	YMLAXZBQLKQDKF-NVXWUHKLSA-N	-1	0	385.372	2.261	50	30		GEEARM
N#Cc1ccccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCO2)c1	ZINC000071748864	207948316	/nfs/dbraw/zinc/94/83/16/207948316.db2.gz	YGZUSSLZLCBAJP-MRXNPFEDSA-N	-1	0	386.429	2.381	50	30		GEEARM
CNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Br)c2C#N)c1	ZINC000253630123	209043978	/nfs/dbraw/zinc/04/39/78/209043978.db2.gz	ILIPIKLSFUKMMM-UHFFFAOYSA-N	-1	0	394.250	2.481	50	30		GEEARM
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000006316857	518937981	/nfs/dbraw/zinc/93/79/81/518937981.db2.gz	VCMUOKYWTOUKPZ-UHFFFAOYSA-N	-1	0	391.405	2.320	50	30		GEEARM
Cn1c(=O)c(C2=NNC(=O)C2=NNc2cccc(Cl)c2)c([O-])c2ccccc21	ZINC000100353798	534668092	/nfs/dbraw/zinc/66/80/92/534668092.db2.gz	ZCFJUZVJKPXZOU-UHFFFAOYSA-N	-1	0	395.806	2.200	50	30		GEEARM
C=CCN1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)C(=O)NC1=S	ZINC000016225630	570249311	/nfs/dbraw/zinc/24/93/11/570249311.db2.gz	LEEDAAQGAMPLNL-BKLZJWBFSA-N	-1	0	390.417	2.200	50	30		GEEARM
CN1C(=O)C[C@H](C(=O)[O-])S/C1=N\c1ccc(I)cc1	ZINC000004690462	570835464	/nfs/dbraw/zinc/83/54/64/570835464.db2.gz	PNNCYWFFCBOEME-USPJWIJHSA-N	-1	0	390.202	2.327	50	30		GEEARM
COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1OC	ZINC000046927133	570937356	/nfs/dbraw/zinc/93/73/56/570937356.db2.gz	JRZDGJXXAYJWAB-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
C/C(=N\N=C1/NC(=O)C[C@@H](C(=O)[O-])S1)c1ccc(Br)s1	ZINC000004535383	531516648	/nfs/dbraw/zinc/51/66/48/531516648.db2.gz	YKHPTWYVACCXKF-ZKHZFVRRSA-N	-1	0	376.257	2.297	50	30		GEEARM
C#CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OC	ZINC000002192968	531503756	/nfs/dbraw/zinc/50/37/56/531503756.db2.gz	JYPHXGVXKJFIFP-GXDHUFHOSA-N	-1	0	377.443	2.383	50	30		GEEARM
COC(=O)C(C(=O)OC)[C@@H](C(=C([O-])c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000004860403	209535318	/nfs/dbraw/zinc/53/53/18/209535318.db2.gz	YMLAXZBQLKQDKF-RDJZCZTQSA-N	-1	0	385.372	2.261	50	30		GEEARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)Oc2ccccc2C1=O	ZINC000003656351	209452572	/nfs/dbraw/zinc/45/25/72/209452572.db2.gz	UHDVBTPSXLAXAC-JBXOJTMHSA-N	-1	0	376.368	2.439	50	30		GEEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1	ZINC000072172796	211082109	/nfs/dbraw/zinc/08/21/09/211082109.db2.gz	CUZSEXMCDPSGLI-HNNXBMFYSA-N	-1	0	380.404	2.000	50	30		GEEARM
CC(=O)NCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000101478513	519663127	/nfs/dbraw/zinc/66/31/27/519663127.db2.gz	WZEODUWPSMPPDX-GHNGSUTGSA-N	-1	0	382.391	2.384	50	30		GEEARM
COc1cc(Br)c(S(=O)(=O)[N-]C(=O)[C@H](C)OC)cc1OC	ZINC000084001558	522023609	/nfs/dbraw/zinc/02/36/09/522023609.db2.gz	HZNFPMIVYKKGCH-ZETCQYMHSA-N	-1	0	382.232	2.146	50	30		GEEARM
COc1ccc(Cl)cc1CC(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000095351153	524198749	/nfs/dbraw/zinc/19/87/49/524198749.db2.gz	OBPKWHJWUMBCAI-UHFFFAOYSA-N	-1	0	382.825	2.335	50	30		GEEARM
COc1ccccc1/C=C/C(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1	ZINC000013264621	524316619	/nfs/dbraw/zinc/31/66/19/524316619.db2.gz	QGINNOZYRFMBAC-MDZDMXLPSA-N	-1	0	389.429	2.344	50	30		GEEARM
C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000095367711	524908937	/nfs/dbraw/zinc/90/89/37/524908937.db2.gz	MQUAUPPQXFFCON-ZDUSSCGKSA-N	-1	0	377.466	2.430	50	30		GEEARM
COc1ccc(S(=O)(=O)N/N=C(/CCC(=O)[O-])c2ccccc2)c(OC)c1	ZINC000017080111	525015938	/nfs/dbraw/zinc/01/59/38/525015938.db2.gz	NPWBGVVRVVTUIZ-CYVLTUHYSA-N	-1	0	392.433	2.251	50	30		GEEARM
C[S@@](=O)Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1	ZINC000058151761	525369377	/nfs/dbraw/zinc/36/93/77/525369377.db2.gz	SPIXPSMUGRHNOL-QHCPKHFHSA-N	-1	0	386.882	2.448	50	30		GEEARM
C=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2N2CCC(=O)NC2=O)C1	ZINC000091724336	527227647	/nfs/dbraw/zinc/22/76/47/527227647.db2.gz	JZQUFAZMTSARHY-FQEVSTJZSA-N	-1	0	385.420	2.016	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000102543741	527607273	/nfs/dbraw/zinc/60/72/73/527607273.db2.gz	DIIACTOCFUCGQO-SCDSTIRESA-N	-1	0	382.328	2.101	50	30		GEEARM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)NC(=O)CS3)cc1	ZINC000048580852	570253197	/nfs/dbraw/zinc/25/31/97/570253197.db2.gz	XOTOCGDWGYEDFQ-UHFFFAOYSA-N	-1	0	378.431	2.433	50	30		GEEARM
N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1	ZINC000158902150	570305838	/nfs/dbraw/zinc/30/58/38/570305838.db2.gz	PWOQGZQAQSIJOR-UHFFFAOYSA-N	-1	0	383.351	2.410	50	30		GEEARM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000004590577	570385985	/nfs/dbraw/zinc/38/59/85/570385985.db2.gz	FZPKRLVAYCWBDT-LDADJPATSA-N	-1	0	391.405	2.072	50	30		GEEARM
CCc1ccc(N2C(=O)C(=CNc3ccc(OC)cn3)C(=O)[N-]C2=S)cc1	ZINC000004738584	570399982	/nfs/dbraw/zinc/39/99/82/570399982.db2.gz	QFBNJFWKKYNXSO-FPQGOQEYSA-N	-1	0	382.445	2.419	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000006448804	570424260	/nfs/dbraw/zinc/42/42/60/570424260.db2.gz	UNOZOLFMBOZGIE-UYTDBDHRSA-N	-1	0	382.328	2.101	50	30		GEEARM
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1O	ZINC000008671549	570536880	/nfs/dbraw/zinc/53/68/80/570536880.db2.gz	MFOZQRIVAZORBG-TVYFDWKESA-N	-1	0	388.361	2.251	50	30		GEEARM
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC(=O)[O-])c(OC)c1	ZINC000005408770	570585975	/nfs/dbraw/zinc/58/59/75/570585975.db2.gz	RRJPAVDOMKZEGF-SELCWUDQSA-N	-1	0	397.383	2.210	50	30		GEEARM
C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000160009642	570899801	/nfs/dbraw/zinc/89/98/01/570899801.db2.gz	LBMLLEASKCXPNL-VIFPVBQESA-N	-1	0	384.335	2.248	50	30		GEEARM
COc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC	ZINC000046930305	570937370	/nfs/dbraw/zinc/93/73/70/570937370.db2.gz	RVTNADSGYZKECF-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
COc1cc(OC)cc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000046927135	570937488	/nfs/dbraw/zinc/93/74/88/570937488.db2.gz	RZPJBDGGABMEMP-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1cccc(C#N)c1	ZINC000012201687	570963031	/nfs/dbraw/zinc/96/30/31/570963031.db2.gz	LUWCISOWNLGMEH-UHFFFAOYSA-N	-1	0	385.401	2.021	50	30		GEEARM
CC(C)(C)OC(=O)N=C([N-]S(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C	ZINC000006145892	531523111	/nfs/dbraw/zinc/52/31/11/531523111.db2.gz	GOQZIPJCBUYLIR-UHFFFAOYSA-N	-1	0	391.368	2.241	50	30		GEEARM
COC(=O)C(C(=O)OC)[C@@H](C(=C([O-])c1ccccc1)[N+](=O)[O-])c1ccccc1	ZINC000002287967	209354989	/nfs/dbraw/zinc/35/49/89/209354989.db2.gz	YMLAXZBQLKQDKF-DOTOQJQBSA-N	-1	0	385.372	2.261	50	30		GEEARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1C#N	ZINC000001100287	209298975	/nfs/dbraw/zinc/29/89/75/209298975.db2.gz	UMKVLMDKZBEHAK-UHFFFAOYSA-N	-1	0	391.383	2.285	50	30		GEEARM
CCOC(=O)c1sc([N-]N=C2C(=O)CCCC2=O)c(C(=O)OCC)c1C	ZINC000000942366	209280265	/nfs/dbraw/zinc/28/02/65/209280265.db2.gz	LGSVJSPEAHMKHC-UHFFFAOYSA-N	-1	0	380.422	2.500	50	30		GEEARM
Cn1[n-]c(=O)c(N=Nc2ccc(Cl)cc2Cl)c1NC(=O)C(F)(F)F	ZINC000006056720	212067863	/nfs/dbraw/zinc/06/78/63/212067863.db2.gz	HVVUYDSOFPOIFA-JLYKHSOTSA-N	-1	0	382.129	2.225	50	30		GEEARM
C=CCn1c(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S	ZINC000002439439	209170847	/nfs/dbraw/zinc/17/08/47/209170847.db2.gz	ZHKZDKAIBMZBNN-GFCCVEGCSA-N	-1	0	376.390	2.487	50	30		GEEARM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2cc(OCC)c(O)cc2Br)C1=O	ZINC000004689793	209139011	/nfs/dbraw/zinc/13/90/11/209139011.db2.gz	MJAGBAFLLYFMRE-UXBLZVDNSA-N	-1	0	395.209	2.201	50	30		GEEARM
Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(C(N)=S)c2=O)cc1[N+](=O)[O-]	ZINC000100512780	524914663	/nfs/dbraw/zinc/91/46/63/524914663.db2.gz	FIJJEUCZBKWQOY-HMMYKYKNSA-N	-1	0	382.405	2.161	50	30		GEEARM
COc1ccc2c(c1)[nH]c1c2nc([O-])n(/N=C/c2ccc(OC)c(OC)c2)c1=O	ZINC000017196427	525597190	/nfs/dbraw/zinc/59/71/90/525597190.db2.gz	GATKCLNNWZAXMD-UFFVCSGVSA-N	-1	0	394.387	2.491	50	30		GEEARM
O=C([N-]S(=O)(=O)c1ccccc1Br)c1c[nH]c(=O)c(Cl)c1	ZINC000054429106	527446189	/nfs/dbraw/zinc/44/61/89/527446189.db2.gz	JFWINLPLVXFESS-UHFFFAOYSA-N	-1	0	391.630	2.484	50	30		GEEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC1=O	ZINC000033499109	527637686	/nfs/dbraw/zinc/63/76/86/527637686.db2.gz	IEMFLEAWJJINOK-QOSBVPTNSA-N	-1	0	388.361	2.251	50	30		GEEARM
COc1ccc(-c2[n-]n(CCO)c(=O)c2N=Nc2cccc3ncccc23)cc1	ZINC000012346166	570366240	/nfs/dbraw/zinc/36/62/40/570366240.db2.gz	WLGNKIKVSHQUBE-GFMRDNFCSA-N	-1	0	389.415	2.250	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000005091495	570428680	/nfs/dbraw/zinc/42/86/80/570428680.db2.gz	YPLRCLCSESITFB-MRXNPFEDSA-N	-1	0	382.328	2.258	50	30		GEEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2ccccc2O)N(c2ccc(O)cc2)C1=O	ZINC000005102007	570429343	/nfs/dbraw/zinc/42/93/43/570429343.db2.gz	ZYQFBMNMGDEGFH-FXFXPHPQSA-N	-1	0	385.401	2.411	50	30		GEEARM
CCC(=O)Nc1ccc2nc(N3CCN(CCC#N)CC3)cc(C(=O)[O-])c2c1	ZINC000033010383	570622138	/nfs/dbraw/zinc/62/21/38/570622138.db2.gz	QYVRDIJBJIVRMW-UHFFFAOYSA-N	-1	0	381.436	2.317	50	30		GEEARM
O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(F)cc2)c1	ZINC000012798037	570814172	/nfs/dbraw/zinc/81/41/72/570814172.db2.gz	PJVCOAUWZSPYHA-RMKNXTFCSA-N	-1	0	377.393	2.475	50	30		GEEARM
COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O	ZINC000003543719	531508086	/nfs/dbraw/zinc/50/80/86/531508086.db2.gz	UAYIYPULTASYHN-XGACYXMMSA-N	-1	0	381.178	2.392	50	30		GEEARM
COC(=O)[C@]1([C@@H]2CCCCCCCCCCC2=O)NC(=S)NC([O-])=C1C#N	ZINC000006385105	209646807	/nfs/dbraw/zinc/64/68/07/209646807.db2.gz	JLIUYDYLHQERKV-BIENJYKASA-N	-1	0	393.509	2.142	50	30		GEEARM
[O-]c1c(I)cc(Br)cc1/C=N/n1cnnc1	ZINC000001092690	209299914	/nfs/dbraw/zinc/29/99/14/209299914.db2.gz	IXBSEBLHOXMATO-LZWSPWQCSA-N	-1	0	392.982	2.233	50	30		GEEARM
CN1C(=O)[C@H](CC(=O)[O-])S/C1=N\c1ccc(I)cc1	ZINC000020220340	210324127	/nfs/dbraw/zinc/32/41/27/210324127.db2.gz	JYSMTMIBMNQNQZ-GCOCVTSNSA-N	-1	0	390.202	2.327	50	30		GEEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1	ZINC000001127388	518478084	/nfs/dbraw/zinc/47/80/84/518478084.db2.gz	NBIUAHWEDLAZNR-UHFFFAOYSA-N	-1	0	391.474	2.407	50	30		GEEARM
CC(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O	ZINC000100228171	520174575	/nfs/dbraw/zinc/17/45/75/520174575.db2.gz	IXNSFHLMNQUIQI-LBPRGKRZSA-N	-1	0	382.457	2.176	50	30		GEEARM
COc1cc2nc(C)n(/N=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)c2cc1OC	ZINC000036223815	523064693	/nfs/dbraw/zinc/06/46/93/523064693.db2.gz	HCSIVCWABKEGEL-DJKKODMXSA-N	-1	0	384.348	2.218	50	30		GEEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)[O-])[C@H]2c2cccnc2)cc1	ZINC000019553006	523550733	/nfs/dbraw/zinc/55/07/33/523550733.db2.gz	LREBJRYUCMRWDM-KRWDZBQOSA-N	-1	0	382.372	2.143	50	30		GEEARM
COCCN(CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2	ZINC000020503727	523718052	/nfs/dbraw/zinc/71/80/52/523718052.db2.gz	ABZCFPSSCUDTCI-UNOMPAQXSA-N	-1	0	384.432	2.498	50	30		GEEARM
O=C(COc1ccc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000100846609	526946215	/nfs/dbraw/zinc/94/62/15/526946215.db2.gz	CLWREQJWJFJADK-NDENLUEZSA-N	-1	0	385.376	2.289	50	30		GEEARM
O=C(COc1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000013564543	526947125	/nfs/dbraw/zinc/94/71/25/526947125.db2.gz	CLWREQJWJFJADK-UDWIEESQSA-N	-1	0	385.376	2.289	50	30		GEEARM
O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102863051	527590821	/nfs/dbraw/zinc/59/08/21/527590821.db2.gz	URSWRELBESLTHJ-HVESIFNPSA-N	-1	0	396.355	2.491	50	30		GEEARM
C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000012343709	570237206	/nfs/dbraw/zinc/23/72/06/570237206.db2.gz	XGKVVIPCBCRECJ-UVTDQMKNSA-N	-1	0	382.397	2.458	50	30		GEEARM
COC(=O)[C@]1([C@H]2CCCCCCCCCCC2=O)NC(=S)NC([O-])=C1C#N	ZINC000105422067	570305090	/nfs/dbraw/zinc/30/50/90/570305090.db2.gz	JLIUYDYLHQERKV-IQUTYRLHSA-N	-1	0	393.509	2.142	50	30		GEEARM
O=C([O-])C[C@H]1S/C(=N/N=C/c2cccc(OC(F)(F)C(F)F)c2)NC1=O	ZINC000006241226	570347906	/nfs/dbraw/zinc/34/79/06/570347906.db2.gz	RFAGTWMNHFZCNL-SJGICYCKSA-N	-1	0	393.318	2.320	50	30		GEEARM
COCc1cc(=O)[n-]c(N=C(NC(=O)c2ccccc2)Nc2ccccc2)n1	ZINC000003771598	570350644	/nfs/dbraw/zinc/35/06/44/570350644.db2.gz	PSOOANYPABXWSK-UHFFFAOYSA-N	-1	0	377.404	2.446	50	30		GEEARM
O=[N+]([O-])c1ccc([O-])c(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1	ZINC000033837090	570529660	/nfs/dbraw/zinc/52/96/60/570529660.db2.gz	NTMHWEZRQMPWGC-XDHOZWIPSA-N	-1	0	398.427	2.132	50	30		GEEARM
N#Cc1ccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1	ZINC000206847998	570755966	/nfs/dbraw/zinc/75/59/66/570755966.db2.gz	ODHTXHWJGBUOOS-MRXNPFEDSA-N	-1	0	396.428	2.396	50	30		GEEARM
COc1cc(C#N)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC	ZINC000004689998	570835282	/nfs/dbraw/zinc/83/52/82/570835282.db2.gz	QLQMAJSHKCIUTO-UHFFFAOYSA-N	-1	0	391.430	2.279	50	30		GEEARM
N#Cc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cc1Cl	ZINC000225512480	645388895	/nfs/dbraw/zinc/38/88/95/645388895.db2.gz	CTWAVBYJOOCPNH-UHFFFAOYSA-N	-1	0	380.765	2.439	50	30		GEEARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)Oc2ccccc2C1=O	ZINC000003656349	209453004	/nfs/dbraw/zinc/45/30/04/209453004.db2.gz	UHDVBTPSXLAXAC-HKBKRHGFSA-N	-1	0	376.368	2.439	50	30		GEEARM
C=CCN1C(=O)/C(=C\c2ccn(-c3ccc([N+](=O)[O-])cc3)c2)C(=O)NC1=S	ZINC000005101633	209140729	/nfs/dbraw/zinc/14/07/29/209140729.db2.gz	NFTWLYKSDHBKFF-GDNBJRDFSA-N	-1	0	382.401	2.198	50	30		GEEARM
C=CCn1c(SCC(=O)NC(=O)OCC)nc2sc3c(c2c1=O)CCC3	ZINC000005212687	209139853	/nfs/dbraw/zinc/13/98/53/209139853.db2.gz	FDCFYDBGVQOHBX-UHFFFAOYSA-N	-1	0	393.490	2.498	50	30		GEEARM
COc1cccc(-n2cc(CN(C)C(=O)c3c[n-]c(=O)c(C#N)c3C)cn2)c1	ZINC000072436589	211119912	/nfs/dbraw/zinc/11/99/12/211119912.db2.gz	NFXNWSKCBJKDQF-UHFFFAOYSA-N	-1	0	377.404	2.434	50	30		GEEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1	ZINC000072172797	211081556	/nfs/dbraw/zinc/08/15/56/211081556.db2.gz	CUZSEXMCDPSGLI-OAHLLOKOSA-N	-1	0	380.404	2.000	50	30		GEEARM
CCCCCC(=O)OCCc1c(C(=O)OC)[n-]n(-c2ccc(C#N)cc2)c1=O	ZINC000062683381	210934765	/nfs/dbraw/zinc/93/47/65/210934765.db2.gz	IEHHSGBOKMPNKS-UHFFFAOYSA-N	-1	0	385.420	2.490	50	30		GEEARM
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC	ZINC000005126524	518942788	/nfs/dbraw/zinc/94/27/88/518942788.db2.gz	DRHVYJOYKPLTAT-UHFFFAOYSA-N	-1	0	376.434	2.420	50	30		GEEARM
CC/C(=N\c1ccc(Cc2ccncc2)cc1)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000102442976	520180160	/nfs/dbraw/zinc/18/01/60/520180160.db2.gz	IRHASLOKJTZWAV-HAVVHWLPSA-N	-1	0	378.432	2.306	50	30		GEEARM
COc1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc(Br)c1O	ZINC000034771087	521981458	/nfs/dbraw/zinc/98/14/58/521981458.db2.gz	UAYIYPULTASYHN-NQHOJNORSA-N	-1	0	381.178	2.392	50	30		GEEARM
COCCN(CCOC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2	ZINC000020504030	523718696	/nfs/dbraw/zinc/71/86/96/523718696.db2.gz	YSFAKQMTMISJTD-UYRXBGFRSA-N	-1	0	384.432	2.498	50	30		GEEARM
COc1ccccc1-c1cnnc(N=NCc2ccc(OCC(=O)[O-])cc2)n1	ZINC000005662191	524277703	/nfs/dbraw/zinc/27/77/03/524277703.db2.gz	XKSCCWUNTDNWCD-KEBDBYFISA-N	-1	0	379.376	2.457	50	30		GEEARM
C[S@](=O)Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1	ZINC000095389948	525388684	/nfs/dbraw/zinc/38/86/84/525388684.db2.gz	SPIXPSMUGRHNOL-HSZRJFAPSA-N	-1	0	386.882	2.448	50	30		GEEARM
O=C([O-])Cc1sc(NN=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1O	ZINC000006974986	527637085	/nfs/dbraw/zinc/63/70/85/527637085.db2.gz	FPVSTMRVJMXSIN-QOSBVPTNSA-N	-1	0	388.361	2.251	50	30		GEEARM
CCOC(=O)c1c[n-]n(C2CCN(C(=O)Nc3cccc(C#N)c3)CC2)c1=N	ZINC000101396133	570821630	/nfs/dbraw/zinc/82/16/30/570821630.db2.gz	MWVVOSKNVZEQLB-UHFFFAOYSA-N	-1	0	382.424	2.213	50	30		GEEARM
COc1ccc(Br)cc1CC(=O)C(C#N)=C([O-])c1nccn1C	ZINC000101735972	570831634	/nfs/dbraw/zinc/83/16/34/570831634.db2.gz	JUWNEGCQBFVECL-LBPRGKRZSA-N	-1	0	376.210	2.325	50	30		GEEARM
COc1ccc2[nH]c3c(nc([O-])n(/N=C/c4cc(OC)ccc4OC)c3=O)c2c1	ZINC000008738631	209797799	/nfs/dbraw/zinc/79/77/99/209797799.db2.gz	YDNFOGZISJSAIK-UFFVCSGVSA-N	-1	0	394.387	2.491	50	30		GEEARM
C=CCn1c(SCC(=O)Nc2ccccc2OC)nc([O-])c(CC)c1=O	ZINC000008579676	209160978	/nfs/dbraw/zinc/16/09/78/209160978.db2.gz	AGKUSQDZCGUZSB-UHFFFAOYSA-N	-1	0	375.450	2.437	50	30		GEEARM
Cc1nn(CCC(=O)[O-])c(C)c1-c1cc(-c2cc(C#N)n(C)c2)c(C#N)c(N)n1	ZINC000071639226	211052083	/nfs/dbraw/zinc/05/20/83/211052083.db2.gz	QUAQVLUGQPAXGM-UHFFFAOYSA-N	-1	0	389.419	2.368	50	30		GEEARM
N#Cc1nccnc1N1CCC(Oc2ccc3ncccc3c2)(C(=O)[O-])CC1	ZINC000065370287	136163637	/nfs/dbraw/zinc/16/36/37/136163637.db2.gz	VBZPZBFWDYOVGG-UHFFFAOYSA-N	-1	0	375.388	2.399	50	30		GEEARM
CCOc1c(Cl)cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1OC	ZINC000004755547	570403439	/nfs/dbraw/zinc/40/34/39/570403439.db2.gz	GZGXXRNOSLVUGB-MIUNIBSDSA-N	-1	0	385.829	2.144	50	30		GEEARM
O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1	ZINC000005491454	570613363	/nfs/dbraw/zinc/61/33/63/570613363.db2.gz	XYGANJWUXLRIRW-NHFXJNLRSA-N	-1	0	392.455	2.441	50	30		GEEARM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(OC)c2OC)c1	ZINC000058189242	570717389	/nfs/dbraw/zinc/71/73/89/570717389.db2.gz	KFCMTZBTWXOQRV-UHFFFAOYSA-N	-1	0	379.390	2.184	50	30		GEEARM
Cc1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(CCO)CC3)C2=O)o1	ZINC000022939623	570914211	/nfs/dbraw/zinc/91/42/11/570914211.db2.gz	GOZZTMUMHPNPIB-UNOMPAQXSA-N	-1	0	384.432	2.020	50	30		GEEARM
O=C([O-])C[C@H]1S/C(=N\N=C\c2ccccc2O)N(c2ccc(O)cc2)C1=O	ZINC000004159200	570965686	/nfs/dbraw/zinc/96/56/86/570965686.db2.gz	ZYQFBMNMGDEGFH-LBWDYHQASA-N	-1	0	385.401	2.411	50	30		GEEARM
N#Cc1cccc(OCc2ccoc2C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1	ZINC000170646018	570982878	/nfs/dbraw/zinc/98/28/78/570982878.db2.gz	UJZHHHDJMKFZHD-UHFFFAOYSA-N	-1	0	388.323	2.352	50	30		GEEARM
C[C@@H](Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2)C(=O)[O-]	ZINC000004786031	570989796	/nfs/dbraw/zinc/98/97/96/570989796.db2.gz	DQGDQFUBRHYBDN-LLVKDONJSA-N	-1	0	377.466	2.206	50	30		GEEARM
O=[N+]([O-])c1cc(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1[O-]	ZINC000252610056	571009517	/nfs/dbraw/zinc/00/95/17/571009517.db2.gz	HYNSROFRFNQYRU-UHFFFAOYSA-N	-1	0	398.427	2.132	50	30		GEEARM
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3N(C(=O)CCC(=O)[O-])CC2	ZINC000000908839	209277211	/nfs/dbraw/zinc/27/72/11/209277211.db2.gz	QOCWNMNPHQHQTM-HNNXBMFYSA-N	-1	0	397.427	2.331	50	30		GEEARM
C=CCOC(=O)[C@@H]1[C@H](c2ccc(O)c(OCC)c2)c2c([nH][nH]c2=O)C[C@]1(C)O	ZINC000004908852	209141154	/nfs/dbraw/zinc/14/11/54/209141154.db2.gz	COPILRVWRJGMFN-SYNHAJSKSA-N	-1	0	388.420	2.004	50	30		GEEARM
Cc1[n-]c(=O)c(C#N)cc1C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1	ZINC000091708223	211202464	/nfs/dbraw/zinc/20/24/64/211202464.db2.gz	VLQXHAAIMNQQOE-UHFFFAOYSA-N	-1	0	396.491	2.342	50	30		GEEARM
Cn1c(=O)c(C2=NNC(=O)C2=NNc2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000100353794	534667788	/nfs/dbraw/zinc/66/77/88/534667788.db2.gz	LIRGXTNFENASGU-UHFFFAOYSA-N	-1	0	395.806	2.200	50	30		GEEARM
COC(=O)[C@]1([C@H]2CCCCCCCCCCC2=O)NC(=S)NC([O-])=C1C#N	ZINC000017142100	524017501	/nfs/dbraw/zinc/01/75/01/524017501.db2.gz	JLIUYDYLHQERKV-CKFHNAJUSA-N	-1	0	393.509	2.142	50	30		GEEARM
COc1ccccc1C=NNC1=N[C@H](CC(=O)Nc2ccccc2Cl)C([O-])=N1	ZINC000071281582	524324490	/nfs/dbraw/zinc/32/44/90/524324490.db2.gz	VQLBTBYNVQPQIQ-UGVMZYNRSA-N	-1	0	399.838	2.155	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102597480	527607490	/nfs/dbraw/zinc/60/74/90/527607490.db2.gz	HTKFZGAOUVPIBR-UYTDBDHRSA-N	-1	0	382.328	2.101	50	30		GEEARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C(C)=O)c3)C2=O)cc1	ZINC000004738598	570400151	/nfs/dbraw/zinc/40/01/51/570400151.db2.gz	LDMKPKWXAJZDHT-RYFGYPJOSA-N	-1	0	379.372	2.499	50	30		GEEARM
COc1ccc(-c2[n-]n(CCO)c(=O)c2N=Nc2ccc3ncccc3c2)cc1	ZINC000102033635	570840697	/nfs/dbraw/zinc/84/06/97/570840697.db2.gz	PIDZSACKLABDTH-HIXSDJFHSA-N	-1	0	389.415	2.250	50	30		GEEARM
CN(C)C(=O)c1ccc(-n2cc(C(=O)c3ccccc3[O-])cc(C#N)c2=O)cc1	ZINC000014165398	210105617	/nfs/dbraw/zinc/10/56/17/210105617.db2.gz	JTXWCBXURCZYFX-UHFFFAOYSA-N	-1	0	387.395	2.348	50	30		GEEARM
CCOc1c(Cl)cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1OC	ZINC000006498090	531526089	/nfs/dbraw/zinc/52/60/89/531526089.db2.gz	GZGXXRNOSLVUGB-RGOWCBCBSA-N	-1	0	385.829	2.144	50	30		GEEARM
C=CCN(c1ccccc1C(=O)NCC(=O)[O-])S(=O)(=O)c1ccccc1C	ZINC000001046943	209168163	/nfs/dbraw/zinc/16/81/63/209168163.db2.gz	KAXZPELNCBQCAD-UHFFFAOYSA-N	-1	0	388.445	2.191	50	30		GEEARM
C=CCn1c(SCC(=O)[O-])nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1	ZINC000072328140	519228327	/nfs/dbraw/zinc/22/83/27/519228327.db2.gz	PQISCVINGDCSET-LLVKDONJSA-N	-1	0	376.438	2.140	50	30		GEEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCc2ccco2)c1=O	ZINC000100643339	519260834	/nfs/dbraw/zinc/26/08/34/519260834.db2.gz	KZZQZPOMHROTGV-UHFFFAOYSA-N	-1	0	384.388	2.433	50	30		GEEARM
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])ccc1O	ZINC000019794585	522919809	/nfs/dbraw/zinc/91/98/09/522919809.db2.gz	KBWZHIZPCMSVGD-GOSISDBHSA-N	-1	0	397.383	2.454	50	30		GEEARM
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)[O-])ccc1O	ZINC000019794584	522954247	/nfs/dbraw/zinc/95/42/47/522954247.db2.gz	KBWZHIZPCMSVGD-SFHVURJKSA-N	-1	0	397.383	2.454	50	30		GEEARM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000004738556	570399923	/nfs/dbraw/zinc/39/99/23/570399923.db2.gz	ZSNMNYDUUSEGGT-LKKXKRCMSA-N	-1	0	383.335	2.214	50	30		GEEARM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000004738559	570399959	/nfs/dbraw/zinc/39/99/59/570399959.db2.gz	SYQCKCUEOJAKKX-SBUZPKSBSA-N	-1	0	383.335	2.214	50	30		GEEARM
Cc1csc(C(C#N)=C([O-])COC(=O)CCS(=O)(=O)c2ccccc2)n1	ZINC000006606162	570497320	/nfs/dbraw/zinc/49/73/20/570497320.db2.gz	UCSWRXPQGWVFNQ-AWEZNQCLSA-N	-1	0	392.458	2.035	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC1=O	ZINC000008722305	570538034	/nfs/dbraw/zinc/53/80/34/570538034.db2.gz	FPVSTMRVJMXSIN-TVYFDWKESA-N	-1	0	388.361	2.251	50	30		GEEARM
COc1ccc(N2C(=O)[N-]C(=O)C(C=Nc3cccc(C(C)=O)c3)C2=O)cc1	ZINC000101585683	570826756	/nfs/dbraw/zinc/82/67/56/570826756.db2.gz	CTRGXWXEBYXSEZ-SRZZPIQSSA-N	-1	0	379.372	2.193	50	30		GEEARM
CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)C(=C([O-])c3cccs3)[C@@]21C#N	ZINC000105106567	570915072	/nfs/dbraw/zinc/91/50/72/570915072.db2.gz	WGCCAMKQQJNVJK-PVAVHDDUSA-N	-1	0	398.448	2.430	50	30		GEEARM
COc1cccc(/C=C\C(=O)c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)c1	ZINC000096792639	231001056	/nfs/dbraw/zinc/00/10/56/231001056.db2.gz	ZGZKQOUASWECQT-HJWRWDBZSA-N	-1	0	389.429	2.344	50	30		GEEARM
COc1ccc(/C=C\C(=O)c2cccc(S(=O)(=O)NCCC(=O)[O-])c2)cc1	ZINC000096792638	231001271	/nfs/dbraw/zinc/00/12/71/231001271.db2.gz	BGBGZJRYSNFSHS-YFHOEESVSA-N	-1	0	389.429	2.344	50	30		GEEARM
CS(=O)(=O)c1ncc(Cl)c(C([O-])=C(C#N)c2nc3ccccc3o2)n1	ZINC000019912983	531580276	/nfs/dbraw/zinc/58/02/76/531580276.db2.gz	NSSAFEXXJPYMFS-QMMMGPOBSA-N	-1	0	376.781	2.165	50	30		GEEARM
Cc1cc(C)cc(CN2CCN(C(=O)c3cc(C#N)c(=O)[n-]c3C)CC2=O)c1	ZINC000072423177	211116714	/nfs/dbraw/zinc/11/67/14/211116714.db2.gz	RREMKZADRJVTDA-UHFFFAOYSA-N	-1	0	378.432	2.069	50	30		GEEARM
C=CCOc1ccc(-c2nnc(CCC(=O)NCC3CC3)c(=O)[n-]2)cc1OC	ZINC000034766244	519009022	/nfs/dbraw/zinc/00/90/22/519009022.db2.gz	CACRBGKWFFLGSI-UHFFFAOYSA-N	-1	0	384.436	2.276	50	30		GEEARM
C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000054429007	525917975	/nfs/dbraw/zinc/91/79/75/525917975.db2.gz	NHZHJHMQZXKEMQ-GFCCVEGCSA-N	-1	0	385.438	2.474	50	30		GEEARM
C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	ZINC000054429005	526235224	/nfs/dbraw/zinc/23/52/24/526235224.db2.gz	NHZHJHMQZXKEMQ-LBPRGKRZSA-N	-1	0	385.438	2.474	50	30		GEEARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N=C2CCCN2)c1)c1cccs1	ZINC000023243091	527254155	/nfs/dbraw/zinc/25/41/55/527254155.db2.gz	LOAPEWRHVMVGKG-UHFFFAOYSA-N	-1	0	385.492	2.020	50	30		GEEARM
COC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000004738560	570399866	/nfs/dbraw/zinc/39/98/66/570399866.db2.gz	SYQCKCUEOJAKKX-LKKXKRCMSA-N	-1	0	383.335	2.214	50	30		GEEARM
C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)Nc1cccc(C#N)c1	ZINC000005574089	570656822	/nfs/dbraw/zinc/65/68/22/570656822.db2.gz	RDHGBWLSSKODNP-GFCCVEGCSA-N	-1	0	387.417	2.114	50	30		GEEARM
COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3ccccc3C2)c1	ZINC000058189280	570984197	/nfs/dbraw/zinc/98/41/97/570984197.db2.gz	DXCMGXDNNWGYHW-AWEZNQCLSA-N	-1	0	375.402	2.370	50	30		GEEARM
N#Cc1cccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)c1	ZINC000170650459	531886088	/nfs/dbraw/zinc/88/60/88/531886088.db2.gz	RBJTYBNBBZPWJJ-LSDHHAIUSA-N	-1	0	375.837	2.356	50	30		GEEARM
C#CCNc1nc2cc3c(cc2nc1[N-]S(=O)(=O)c1ccccc1)OCCO3	ZINC000007109532	212082488	/nfs/dbraw/zinc/08/24/88/212082488.db2.gz	RRCBXGSNSBBBCX-UHFFFAOYSA-N	-1	0	396.428	2.247	50	30		GEEARM
Cc1n[n-]c(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)nc1=O	ZINC000017975573	221386602	/nfs/dbraw/zinc/38/66/02/221386602.db2.gz	UDUAPBXPTWYWRW-SECBINFHSA-N	-1	0	375.479	2.405	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102597486	527607800	/nfs/dbraw/zinc/60/78/00/527607800.db2.gz	HTKFZGAOUVPIBR-IBOXJLQUSA-N	-1	0	382.328	2.101	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102581013	527608331	/nfs/dbraw/zinc/60/83/31/527608331.db2.gz	SJVQTEABOSGTRD-UYTDBDHRSA-N	-1	0	382.328	2.101	50	30		GEEARM
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C#N)c(Br)cn1	ZINC000095466345	570295823	/nfs/dbraw/zinc/29/58/23/570295823.db2.gz	JMILAJDECLLQKR-UHFFFAOYSA-N	-1	0	390.650	2.212	50	30		GEEARM
O=C(NCC/N=C/c1ccc([N+](=O)[O-])cc1)c1c(=O)oc2ccccc2c1[O-]	ZINC000002913535	570318027	/nfs/dbraw/zinc/31/80/27/570318027.db2.gz	ZUNGEMOFEDHOLR-RGVLZGJSSA-N	-1	0	381.344	2.256	50	30		GEEARM
O=C([O-])c1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1	ZINC000004658794	570390038	/nfs/dbraw/zinc/39/00/38/570390038.db2.gz	CGXJKCDXAYZXEF-DEDYPNTBSA-N	-1	0	381.440	2.216	50	30		GEEARM
COC(=O)c1sc(S(=O)(=O)[N-]C(=O)CC(C)C)c(C(=O)OC)c1C	ZINC000042346512	570889867	/nfs/dbraw/zinc/88/98/67/570889867.db2.gz	YWNXGOPQNMDJDT-UHFFFAOYSA-N	-1	0	377.440	2.321	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000016974980	221374602	/nfs/dbraw/zinc/37/46/02/221374602.db2.gz	BHLFSKOAFZMPLR-INIZCTEOSA-N	-1	0	382.328	2.258	50	30		GEEARM
N#Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1	ZINC000042308499	221940629	/nfs/dbraw/zinc/94/06/29/221940629.db2.gz	AJBLOEQSGOKBCL-OAHLLOKOSA-N	-1	0	390.848	2.409	50	30		GEEARM
N#Cc1ccccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCO2)c1	ZINC000071748863	222189467	/nfs/dbraw/zinc/18/94/67/222189467.db2.gz	YGZUSSLZLCBAJP-INIZCTEOSA-N	-1	0	386.429	2.381	50	30		GEEARM
N#Cc1nc(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[n-]c1C#N	ZINC000155704505	222529946	/nfs/dbraw/zinc/52/99/46/222529946.db2.gz	OAECXDLVRLQZTP-VIFPVBQESA-N	-1	0	389.202	2.451	50	30		GEEARM
COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1S(=O)(=O)NC1CC1	ZINC000040089616	523775788	/nfs/dbraw/zinc/77/57/88/523775788.db2.gz	QICDNUDTOSKVKK-CYBMUJFWSA-N	-1	0	391.474	2.391	50	30		GEEARM
COc1ccc2c(c1)[nH]c1c2nc([O-])n(/N=C/c2cccc([N+](=O)[O-])c2)c1=O	ZINC000017824727	525598725	/nfs/dbraw/zinc/59/87/25/525598725.db2.gz	MMKBSYVNTIPKKN-DJKKODMXSA-N	-1	0	379.332	2.382	50	30		GEEARM
CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000048461575	570251786	/nfs/dbraw/zinc/25/17/86/570251786.db2.gz	PDTDXBMDIHDXHN-UHFFFAOYSA-N	-1	0	376.390	2.110	50	30		GEEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000100150399	570310287	/nfs/dbraw/zinc/31/02/87/570310287.db2.gz	ASIUPUUVNQNFQY-OVCLIPMQSA-N	-1	0	375.197	2.131	50	30		GEEARM
COc1ccc2c(c1)[nH]c1c2nc([O-])n(/N=C/c2cccc(OC)c2O)c1=O	ZINC000004925890	570370947	/nfs/dbraw/zinc/37/09/47/570370947.db2.gz	NXXJHJCGAXYUBG-AWQFTUOYSA-N	-1	0	380.360	2.188	50	30		GEEARM
O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccccc2F)c1	ZINC000013060194	570390647	/nfs/dbraw/zinc/39/06/47/570390647.db2.gz	ZYORAZGXSCGNCL-CMDGGOBGSA-N	-1	0	377.393	2.475	50	30		GEEARM
CC(C)=NOC1(ON=C(C)C)N=C(N)[C@]2(C#N)C(=C([O-])c3cccs3)[C@@]21C#N	ZINC000105106572	570915169	/nfs/dbraw/zinc/91/51/69/570915169.db2.gz	WGCCAMKQQJNVJK-XIRDDKMYSA-N	-1	0	398.448	2.430	50	30		GEEARM
CC(=O)Nc1ccc(F)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2C#N)c1	ZINC000066002544	571038150	/nfs/dbraw/zinc/03/81/50/571038150.db2.gz	BPXOCSXOIBNGGY-UHFFFAOYSA-N	-1	0	375.381	2.490	50	30		GEEARM
O=C([O-])COc1c(I)cc(Br)cc1C=NO	ZINC000252639995	645566279	/nfs/dbraw/zinc/56/62/79/645566279.db2.gz	YPEVQDNQCRDEOS-UHFFFAOYSA-N	-1	0	399.966	2.325	50	30		GEEARM
Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)C[C@H]1OCCc2sccc21	ZINC000170627074	531884822	/nfs/dbraw/zinc/88/48/22/531884822.db2.gz	GKRLEBZHUGICME-CQSZACIVSA-N	-1	0	376.459	2.437	50	30		GEEARM
CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C#N)[C@@H]1CCOC1	ZINC000594719972	532521569	/nfs/dbraw/zinc/52/15/69/532521569.db2.gz	ALOWNLILTGQULY-BXUZGUMPSA-N	-1	0	389.271	2.114	50	30		GEEARM
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3N(C(=O)CCC(=O)[O-])CC2	ZINC000000908838	212194395	/nfs/dbraw/zinc/19/43/95/212194395.db2.gz	QOCWNMNPHQHQTM-OAHLLOKOSA-N	-1	0	397.427	2.331	50	30		GEEARM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[nH]c(=O)c1[C@H]2c1ccc2c(c1)OCO2	ZINC000018222316	221390433	/nfs/dbraw/zinc/39/04/33/221390433.db2.gz	KFCCBKOVBDWYMH-AWEZNQCLSA-N	-1	0	380.404	2.281	50	30		GEEARM
C=CCOc1cccc(-c2nnc(CCC(=O)NC[C@H]3CCCO3)c(=O)[n-]2)c1	ZINC000034764718	519050629	/nfs/dbraw/zinc/05/06/29/519050629.db2.gz	XWEYJPQIJVSCTB-MRXNPFEDSA-N	-1	0	384.436	2.037	50	30		GEEARM
COc1cc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)cc(OC)c1OC	ZINC000048676858	521923091	/nfs/dbraw/zinc/92/30/91/521923091.db2.gz	CRZZMOYTCRLHOG-UHFFFAOYSA-N	-1	0	394.449	2.394	50	30		GEEARM
O=C(CSCC(=O)N1CCCCC1)[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000040129758	527011599	/nfs/dbraw/zinc/01/15/99/527011599.db2.gz	GXGJVWWPBKIZSU-UHFFFAOYSA-N	-1	0	392.449	2.356	50	30		GEEARM
O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc2c1OCCO2	ZINC000095467916	527322065	/nfs/dbraw/zinc/32/20/65/527322065.db2.gz	ADZQATHKANRZMY-UHFFFAOYSA-N	-1	0	382.325	2.199	50	30		GEEARM
O=[N+]([O-])c1cccc(C=NN=c2nc(N3CCCC3)[nH]c(N3CCCC3)n2)c1[O-]	ZINC000037390738	527384924	/nfs/dbraw/zinc/38/49/24/527384924.db2.gz	LUMIJHFSIDYNQM-XDHOZWIPSA-N	-1	0	398.427	2.132	50	30		GEEARM
O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102525498	527590516	/nfs/dbraw/zinc/59/05/16/527590516.db2.gz	BFWUJHRHFWCTDF-GROYHEBESA-N	-1	0	396.355	2.491	50	30		GEEARM
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCO2	ZINC000048460317	570251807	/nfs/dbraw/zinc/25/18/07/570251807.db2.gz	RLNIRFDWTPXTJA-UHFFFAOYSA-N	-1	0	375.402	2.296	50	30		GEEARM
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1O	ZINC000008671551	570537063	/nfs/dbraw/zinc/53/70/63/570537063.db2.gz	MFOZQRIVAZORBG-QOSBVPTNSA-N	-1	0	388.361	2.251	50	30		GEEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)C1=O	ZINC000004689672	570834791	/nfs/dbraw/zinc/83/47/91/570834791.db2.gz	YXDNRJLLACJARN-POHAHGRESA-N	-1	0	395.209	2.114	50	30		GEEARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccccc3OCC#N)C2=O)cc1	ZINC000003663841	570881786	/nfs/dbraw/zinc/88/17/86/570881786.db2.gz	TVHMTOYVRKGNQU-GHRIWEEISA-N	-1	0	391.383	2.227	50	30		GEEARM
CS(=O)(=O)Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1	ZINC000045099995	570899347	/nfs/dbraw/zinc/89/93/47/570899347.db2.gz	RGTDRSRRMJSDQY-UHFFFAOYSA-N	-1	0	385.438	2.205	50	30		GEEARM
Cc1ccc(S(=O)(=O)NCCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1C	ZINC000084180886	571006017	/nfs/dbraw/zinc/00/60/17/571006017.db2.gz	KVKKWIRPPNKZRD-UHFFFAOYSA-N	-1	0	396.490	2.317	50	30		GEEARM
COc1cc(Br)c(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1O	ZINC000025638471	642425658	/nfs/dbraw/zinc/42/56/58/642425658.db2.gz	QOWRPIIQMGEATP-NHZBNJEXSA-N	-1	0	381.178	2.392	50	30		GEEARM
COCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)o1	ZINC000151729606	531516803	/nfs/dbraw/zinc/51/68/03/531516803.db2.gz	CMJSHOPLLZXFHE-UHFFFAOYSA-N	-1	0	399.222	2.179	50	30		GEEARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N=C3CCCN3)cc2)s1	ZINC000025059421	531610753	/nfs/dbraw/zinc/61/07/53/531610753.db2.gz	RAXOACDTYBWBMH-UHFFFAOYSA-N	-1	0	399.519	2.328	50	30		GEEARM
N#Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCCO2)cc1C(F)(F)F	ZINC000119785509	531972886	/nfs/dbraw/zinc/97/28/86/531972886.db2.gz	MMQYTHCPAUNCGX-NSHDSACASA-N	-1	0	376.356	2.341	50	30		GEEARM
C#CCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000002192960	212101497	/nfs/dbraw/zinc/10/14/97/212101497.db2.gz	HUSDOCYYGJKCFX-AHEVQNHNSA-N	-1	0	377.443	2.382	50	30		GEEARM
C=CCCOc1ccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)cc1	ZINC000034764279	518708670	/nfs/dbraw/zinc/70/86/70/518708670.db2.gz	ZCPPVXZJFYHVKY-UHFFFAOYSA-N	-1	0	386.452	2.284	50	30		GEEARM
C=CCn1c2cc(OC)c(OC)cc2c([O-])c(C(=O)NCc2ccccn2)c1=O	ZINC000100643341	519260732	/nfs/dbraw/zinc/26/07/32/519260732.db2.gz	ILTIYDFQDQLNKI-UHFFFAOYSA-N	-1	0	395.415	2.235	50	30		GEEARM
COc1ccccc1NC(=O)C[C@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-]	ZINC000071280010	524602464	/nfs/dbraw/zinc/60/24/64/524602464.db2.gz	MJUDPXBUVWRWEM-UGVMZYNRSA-N	-1	0	399.838	2.155	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000102543750	527608277	/nfs/dbraw/zinc/60/82/77/527608277.db2.gz	DIIACTOCFUCGQO-CFBLSMTOSA-N	-1	0	382.328	2.101	50	30		GEEARM
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C1\NC(=O)[C@H](CC(=O)[O-])S1	ZINC000005023389	570400247	/nfs/dbraw/zinc/40/02/47/570400247.db2.gz	MYLPBEZLXUHECQ-MEBUONCMSA-N	-1	0	391.840	2.230	50	30		GEEARM
CC(=O)Nc1ccc([C@@H](O)/C(=N\[O-])c2nc3ccc(Cl)cc3[nH]c2=O)cc1	ZINC000005398681	570437463	/nfs/dbraw/zinc/43/74/63/570437463.db2.gz	DEZXINXLFNIFQL-XMSCMFJESA-N	-1	0	386.795	2.447	50	30		GEEARM
COc1ccc(Cl)cc1NC(=O)C[C@@H]1N=C(NN=Cc2ccccc2)N=C1[O-]	ZINC000061721333	570504434	/nfs/dbraw/zinc/50/44/34/570504434.db2.gz	CJDLHPGFFYIIOT-SYZMQFJCSA-N	-1	0	399.838	2.155	50	30		GEEARM
COC(=O)C1CCN(S(=O)(=O)[N-]C(=O)C=Cc2cccc(Cl)c2)CC1	ZINC000052767115	570803196	/nfs/dbraw/zinc/80/31/96/570803196.db2.gz	XBURINBSXOGREU-AATRIKPKSA-N	-1	0	386.857	2.440	50	30		GEEARM
O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(S(=O)(=O)[O-])o1	ZINC000001818507	212257379	/nfs/dbraw/zinc/25/73/79/212257379.db2.gz	NPIUKOGEFWLCHZ-NGYBGAFCSA-N	-1	0	392.780	2.253	50	30		GEEARM
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC(C(=O)[O-])CC2)c1C#N	ZINC000008735234	221054388	/nfs/dbraw/zinc/05/43/88/221054388.db2.gz	HUGLRWDGYBKTKU-UHFFFAOYSA-N	-1	0	384.436	2.353	50	30		GEEARM
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1	ZINC000057279552	222029344	/nfs/dbraw/zinc/02/93/44/222029344.db2.gz	OWKBOCCAFWHPQH-UHFFFAOYSA-N	-1	0	384.421	2.041	50	30		GEEARM
C#CCOc1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1OC	ZINC000033686332	518322144	/nfs/dbraw/zinc/32/21/44/518322144.db2.gz	HUSDOCYYGJKCFX-GMROUXNLSA-N	-1	0	377.443	2.382	50	30		GEEARM
C=CCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(OCC)cc3)N(C(C)=O)N2)C1=O	ZINC000009331494	518838307	/nfs/dbraw/zinc/83/83/07/518838307.db2.gz	CACPQXOQLOPYIF-CFBLSMTOSA-N	-1	0	398.419	2.242	50	30		GEEARM
COc1cc(Br)c(S(=O)(=O)[N-]C(=O)[C@@H](C)OC)cc1OC	ZINC000084001561	522023115	/nfs/dbraw/zinc/02/31/15/522023115.db2.gz	HZNFPMIVYKKGCH-SSDOTTSWSA-N	-1	0	382.232	2.146	50	30		GEEARM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccnc(Cl)c2)c(OC)c1OC	ZINC000095467926	523378336	/nfs/dbraw/zinc/37/83/36/523378336.db2.gz	SHSYVLCANKUUAJ-UHFFFAOYSA-N	-1	0	386.813	2.454	50	30		GEEARM
CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1	ZINC000048470675	570252189	/nfs/dbraw/zinc/25/21/89/570252189.db2.gz	MXPPDQDBNSVXIL-UHFFFAOYSA-N	-1	0	378.406	2.334	50	30		GEEARM
CC(=O)Nc1ccc([C@H](O)/C(=N\[O-])c2nc3ccc(Cl)cc3[nH]c2=O)cc1	ZINC000005398676	570437492	/nfs/dbraw/zinc/43/74/92/570437492.db2.gz	DEZXINXLFNIFQL-XYLCRUHJSA-N	-1	0	386.795	2.447	50	30		GEEARM
Cc1[n-]n(-c2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(=O)c1C=NCCO	ZINC000003140148	570709064	/nfs/dbraw/zinc/70/90/64/570709064.db2.gz	GRWBPLUKNXSQNC-LKNXVUQUSA-N	-1	0	385.239	2.460	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc(Cl)c2c(c1)OCCO2	ZINC000042306302	570889246	/nfs/dbraw/zinc/88/92/46/570889246.db2.gz	DWZXXCVJNNZIDI-UHFFFAOYSA-N	-1	0	392.820	2.243	50	30		GEEARM
C=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2N2CCC(=O)NC2=O)C1	ZINC000091724338	570984674	/nfs/dbraw/zinc/98/46/74/570984674.db2.gz	JZQUFAZMTSARHY-HXUWFJFHSA-N	-1	0	385.420	2.016	50	30		GEEARM
O=c1[nH]cc(N=Cc2cc(Br)cc(Br)c2[O-])c(=O)[nH]1	ZINC000004589514	531515465	/nfs/dbraw/zinc/51/54/65/531515465.db2.gz	RIGAWSKNVGDBSJ-LZWSPWQCSA-N	-1	0	389.003	2.044	50	30		GEEARM
C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C(=O)OCC)=C(N)O2	ZINC000006589232	212081275	/nfs/dbraw/zinc/08/12/75/212081275.db2.gz	GCPIIIRZSSXXIB-GFCCVEGCSA-N	-1	0	385.445	2.306	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000016956943	221374390	/nfs/dbraw/zinc/37/43/90/221374390.db2.gz	ATCLINJZICZQQE-INIZCTEOSA-N	-1	0	382.328	2.258	50	30		GEEARM
Cc1n[n-]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)nc1=O	ZINC000017975576	221386308	/nfs/dbraw/zinc/38/63/08/221386308.db2.gz	UDUAPBXPTWYWRW-VIFPVBQESA-N	-1	0	375.479	2.405	50	30		GEEARM
CC(=O)NCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000101478510	519662887	/nfs/dbraw/zinc/66/28/87/519662887.db2.gz	WZEODUWPSMPPDX-SELCWUDQSA-N	-1	0	382.391	2.384	50	30		GEEARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C(=O)N1CCOCC1	ZINC000100427979	520896331	/nfs/dbraw/zinc/89/63/31/520896331.db2.gz	YYMYWOKGIOGHDQ-NMWGTECJSA-N	-1	0	391.431	2.350	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC1=O	ZINC000033499106	527632447	/nfs/dbraw/zinc/63/24/47/527632447.db2.gz	IEMFLEAWJJINOK-TVYFDWKESA-N	-1	0	388.361	2.251	50	30		GEEARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000004738591	570399800	/nfs/dbraw/zinc/39/98/00/570399800.db2.gz	NUOKYAZGDWFGOE-GDXCHIGESA-N	-1	0	382.332	2.205	50	30		GEEARM
CCCCCCCCCn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000001797199	570425477	/nfs/dbraw/zinc/42/54/77/570425477.db2.gz	GHBALAKSWCPRIX-UHFFFAOYSA-N	-1	0	396.513	2.361	50	30		GEEARM
CCc1ccc2[n-]c(C(C#N)=C3NS(=O)(=O)c4ccccc43)nc(=O)c2c1	ZINC000005266711	570533858	/nfs/dbraw/zinc/53/38/58/570533858.db2.gz	SBJFGLRZORNJAJ-AWEZNQCLSA-N	-1	0	378.413	2.284	50	30		GEEARM
N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)C1=Cc2cc(F)ccc2OC1	ZINC000159944229	570790479	/nfs/dbraw/zinc/79/04/79/570790479.db2.gz	CKCNUWFEOCIDJF-UHFFFAOYSA-N	-1	0	376.340	2.117	50	30		GEEARM
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC#N	ZINC000004691143	570840005	/nfs/dbraw/zinc/84/00/05/570840005.db2.gz	QJJKJKZWQOLDQK-MDWZMJQESA-N	-1	0	378.431	2.273	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)NC1=O	ZINC000004543237	570854588	/nfs/dbraw/zinc/85/45/88/570854588.db2.gz	ZVSWXLSZRQGRLK-BBJIBYMTSA-N	-1	0	397.412	2.302	50	30		GEEARM
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N	ZINC000160009776	570899785	/nfs/dbraw/zinc/89/97/85/570899785.db2.gz	LBMLLEASKCXPNL-SECBINFHSA-N	-1	0	384.335	2.248	50	30		GEEARM
C[C@H](NC(=O)C1CCCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N	ZINC000084001514	570989970	/nfs/dbraw/zinc/98/99/70/570989970.db2.gz	GQCLUXQAOWVCMQ-ZDUSSCGKSA-N	-1	0	377.466	2.430	50	30		GEEARM
C/C(=N\N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccc(Br)s1	ZINC000020157684	531580422	/nfs/dbraw/zinc/58/04/22/531580422.db2.gz	AFTRTBFVYKWDRZ-ZKHZFVRRSA-N	-1	0	376.257	2.297	50	30		GEEARM
C[C@H]1CC(=O)CC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000240897294	532518372	/nfs/dbraw/zinc/51/83/72/532518372.db2.gz	IRVUPMOGXQSJAL-TVQRCGJNSA-N	-1	0	399.266	2.131	50	30		GEEARM
CCOC(=O)C(C#N)=N[N-]c1sc(C(=O)OCC)c(C)c1C(=O)OCC	ZINC000001786796	212257913	/nfs/dbraw/zinc/25/79/13/212257913.db2.gz	GJABWROVGKWFCI-VCHYOVAHSA-N	-1	0	381.410	2.265	50	30		GEEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O	ZINC000013543277	212097665	/nfs/dbraw/zinc/09/76/65/212097665.db2.gz	FUNJESBLGUTDHN-FLIBITNWSA-N	-1	0	378.226	2.163	50	30		GEEARM
C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)NC1=S	ZINC000001202918	212101008	/nfs/dbraw/zinc/10/10/08/212101008.db2.gz	XGKVVIPCBCRECJ-GXDHUFHOSA-N	-1	0	382.397	2.458	50	30		GEEARM
CCOc1ccccc1/C=C/C(=O)c1cccc(S(=O)(=O)NCC(=O)[O-])c1	ZINC000012747326	221223571	/nfs/dbraw/zinc/22/35/71/221223571.db2.gz	RLHZAKLLPLXADW-ZHACJKMWSA-N	-1	0	389.429	2.344	50	30		GEEARM
O=C([O-])CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000016974986	221374503	/nfs/dbraw/zinc/37/45/03/221374503.db2.gz	BHLFSKOAFZMPLR-MRXNPFEDSA-N	-1	0	382.328	2.258	50	30		GEEARM
N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2cccc3nsnc32)c1N	ZINC000019079982	221397000	/nfs/dbraw/zinc/39/70/00/221397000.db2.gz	BGRFJRWWKZUXOW-UHFFFAOYSA-N	-1	0	397.445	2.132	50	30		GEEARM
COc1ccccc1/C=C\C(=O)c1cccc(S(=O)(=O)NCCC(=O)[O-])c1	ZINC000096792640	533956047	/nfs/dbraw/zinc/95/60/47/533956047.db2.gz	QGINNOZYRFMBAC-KTKRTIGZSA-N	-1	0	389.429	2.344	50	30		GEEARM
C/C(=N\c1ncn(Cc2ccc(F)cc2Cl)n1)c1c([O-])[nH]c(=O)sc1=O	ZINC000101406658	518473232	/nfs/dbraw/zinc/47/32/32/518473232.db2.gz	VNHBZVCVSXOUNF-FBCYGCLPSA-N	-1	0	395.803	2.075	50	30		GEEARM
COc1ccc([C@@H](CC(=O)[N-]S(=O)(=O)c2cccnc2)NC(C)=O)cc1	ZINC000040129900	525170835	/nfs/dbraw/zinc/17/08/35/525170835.db2.gz	LNXNYYHBRGWTFH-MRXNPFEDSA-N	-1	0	377.422	2.003	50	30		GEEARM
Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cc1S(C)(=O)=O	ZINC000048573873	525948016	/nfs/dbraw/zinc/94/80/16/525948016.db2.gz	KCAPSKKGSJKEBY-UHFFFAOYSA-N	-1	0	385.438	2.372	50	30		GEEARM
N=C(NN=Cc1ccccc1)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000022611992	526826149	/nfs/dbraw/zinc/82/61/49/526826149.db2.gz	XBUXGNLHTVPZOU-FPQGOQEYSA-N	-1	0	396.428	2.308	50	30		GEEARM
COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000004738555	570399907	/nfs/dbraw/zinc/39/99/07/570399907.db2.gz	ZSNMNYDUUSEGGT-SBUZPKSBSA-N	-1	0	383.335	2.214	50	30		GEEARM
N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccsc21	ZINC000170621154	531883951	/nfs/dbraw/zinc/88/39/51/531883951.db2.gz	VIBTVYUWBLVAJN-OAHLLOKOSA-N	-1	0	376.459	2.270	50	30		GEEARM
CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1C#N)[C@H]1CCOC1	ZINC000594719975	532521534	/nfs/dbraw/zinc/52/15/34/532521534.db2.gz	ALOWNLILTGQULY-SMDDNHRTSA-N	-1	0	389.271	2.114	50	30		GEEARM
C=CCN(c1ccccc1C(=O)NCC(=O)[O-])S(=O)(=O)c1cccc(C)c1	ZINC000001046908	212099974	/nfs/dbraw/zinc/09/99/74/212099974.db2.gz	MKHDFDPTASOLNI-UHFFFAOYSA-N	-1	0	388.445	2.191	50	30		GEEARM
COc1cccc(N2CCN(C3=NC4(CCCCC4)C(C#N)=C([O-])N3)CC2)c1	ZINC000008742802	221054536	/nfs/dbraw/zinc/05/45/36/221054536.db2.gz	YQPPJGBKNFIAEH-SFHVURJKSA-N	-1	0	381.480	2.146	50	30		GEEARM
C=CCN1C(=O)[C@@H](CC(=O)NCC(=O)[O-])S/C1=N/c1ccc(Cl)cc1	ZINC000016737619	221369637	/nfs/dbraw/zinc/36/96/37/221369637.db2.gz	VGYQCPOHBCPCDX-OHEASWGXSA-N	-1	0	381.841	2.048	50	30		GEEARM
C=CCN1C(=O)[C@H](CC(=O)NCC(=O)[O-])S/C1=N/c1ccc(Cl)cc1	ZINC000016737617	221369671	/nfs/dbraw/zinc/36/96/71/221369671.db2.gz	VGYQCPOHBCPCDX-NWLJZCLZSA-N	-1	0	381.841	2.048	50	30		GEEARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000013118879	136200953	/nfs/dbraw/zinc/20/09/53/136200953.db2.gz	HGPUETHOTHAHOE-QNGOZBTKSA-N	-1	0	397.347	2.044	50	30		GEEARM
O=S(=O)([N-]CC#CCN1CCc2ccccc2C1)c1c(F)cccc1F	ZINC000077197676	222275395	/nfs/dbraw/zinc/27/53/95/222275395.db2.gz	XDEDPPDUTXLNEE-UHFFFAOYSA-N	-1	0	376.428	2.305	50	30		GEEARM
COCCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1	ZINC000079020035	222299737	/nfs/dbraw/zinc/29/97/37/222299737.db2.gz	LHZQFCOQDVSBNB-UHFFFAOYSA-N	-1	0	378.454	2.336	50	30		GEEARM
COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)o1	ZINC000127477344	222525261	/nfs/dbraw/zinc/52/52/61/222525261.db2.gz	DFQXTUKZWGEDMI-UHFFFAOYSA-N	-1	0	388.323	2.435	50	30		GEEARM
O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102863056	527590373	/nfs/dbraw/zinc/59/03/73/527590373.db2.gz	URSWRELBESLTHJ-GROYHEBESA-N	-1	0	396.355	2.491	50	30		GEEARM
O=C1c2ccc([O-])c(CN3CCN(CCO)CC3)c2O/C1=C\c1cccc(F)c1	ZINC000020533408	570265381	/nfs/dbraw/zinc/26/53/81/570265381.db2.gz	PSZPRCBYKYJZJZ-MOSHPQCFSA-N	-1	0	398.434	2.257	50	30		GEEARM
Cc1c(/N=C2/c3ccccc3N(CC(=O)[O-])C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000002283282	570280958	/nfs/dbraw/zinc/28/09/58/570280958.db2.gz	INSIDNHFTIQBOK-QOCHGBHMSA-N	-1	0	390.399	2.036	50	30		GEEARM
O=C([O-])C[C@@H]1S/C(=N/N=C/c2cccc(OC(F)(F)C(F)F)c2)NC1=O	ZINC000006241224	570347886	/nfs/dbraw/zinc/34/78/86/570347886.db2.gz	RFAGTWMNHFZCNL-JOHFULMTSA-N	-1	0	393.318	2.320	50	30		GEEARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C(C)=O)c3)C2=O)cc1	ZINC000004738597	570400171	/nfs/dbraw/zinc/40/01/71/570400171.db2.gz	LDMKPKWXAJZDHT-LASGFXPTSA-N	-1	0	379.372	2.499	50	30		GEEARM
CC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(Br)ccc1OCC(=O)[O-]	ZINC000004952451	570419610	/nfs/dbraw/zinc/41/96/10/570419610.db2.gz	WFRXJMBTAJIXJC-CQSZACIVSA-N	-1	0	399.266	2.294	50	30		GEEARM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC	ZINC000046927161	570937359	/nfs/dbraw/zinc/93/73/59/570937359.db2.gz	HXZDDPZPSRJPIX-UHFFFAOYSA-N	-1	0	378.406	2.356	50	30		GEEARM
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)[O-]	ZINC000085210632	570975544	/nfs/dbraw/zinc/97/55/44/570975544.db2.gz	QSVBUQTYFQFEHC-FGVNNXKRSA-N	-1	0	396.430	2.367	50	30		GEEARM