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=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000954190428	1025539058	/nfs/dbraw/zinc/53/90/58/1025539058.db2.gz	YFDFROSCOORKAJ-UHFFFAOYSA-N	-1	3	359.254	2.692	50	30		FFEAHM
Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[n-]3)=C2N)cc1Cl	ZINC000009111119	204353911	/nfs/dbraw/zinc/35/39/11/204353911.db2.gz	REMVXPQFJLDAGQ-UHFFFAOYSA-N	-1	3	366.808	2.602	50	30		FFEAHM
C#CCOc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1OC	ZINC000004699326	506387598	/nfs/dbraw/zinc/38/75/98/506387598.db2.gz	NLIAKAMREVRFNU-XFFZJAGNSA-N	-1	3	368.208	2.794	50	30		FFEAHM
CC/C(=N/NS(=O)(=O)c1cc(OC)ccc1OC)c1ccccc1[O-]	ZINC000017074888	507115089	/nfs/dbraw/zinc/11/50/89/507115089.db2.gz	XFSOVFKFPLIYTJ-JXAWBTAJSA-N	-1	3	364.423	2.502	50	30		FFEAHM
CC(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1	ZINC000330925321	511028941	/nfs/dbraw/zinc/02/89/41/511028941.db2.gz	URABVEBGLJBDCB-NSHDSACASA-N	-1	3	351.653	2.929	50	30		FFEAHM
COc1ccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(OC)c1	ZINC000098052646	523436111	/nfs/dbraw/zinc/43/61/11/523436111.db2.gz	BXGKYNFZJXHZLH-XFFZJAGNSA-N	-1	3	361.419	2.971	50	30		FFEAHM
Cc1ccc(C(=O)Oc2ccc(C=NNc3nc([O-])cs3)cc2)cc1	ZINC000004550117	526238289	/nfs/dbraw/zinc/23/82/89/526238289.db2.gz	FMCFXEXNQBBDHC-VXLYETTFSA-N	-1	3	353.403	2.767	50	30		FFEAHM
Nc1c(-c2nc3ccccc3s2)c(O)cn1-c1cccc(C(=O)[O-])c1	ZINC000003226947	204083259	/nfs/dbraw/zinc/08/32/59/204083259.db2.gz	FDMIMQAYGAASAJ-UHFFFAOYSA-N	-1	3	351.387	2.711	50	30		FFEAHM
CCOC(=O)c1sc([N-]C(=O)c2ccn(C(F)F)n2)c(C#N)c1C	ZINC000002792707	204057919	/nfs/dbraw/zinc/05/79/19/204057919.db2.gz	JDZQXWJKBLQASQ-UHFFFAOYSA-N	-1	3	354.338	2.949	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)C1	ZINC000010288249	204392765	/nfs/dbraw/zinc/39/27/65/204392765.db2.gz	FVKMFXJNYRBNBO-GFCCVEGCSA-N	-1	3	355.360	2.597	50	30		FFEAHM
Cc1ccc(S(=O)(=O)NN=Cc2cc(Br)ccc2[O-])cc1	ZINC000254756940	509910692	/nfs/dbraw/zinc/91/06/92/509910692.db2.gz	PBEIAQYKTXKQGF-UHFFFAOYSA-N	-1	3	369.240	2.776	50	30		FFEAHM
CCn1c2ccccc2nc1-c1c([O-])cn2c1[nH]c(=O)c1cc(C)ccc12	ZINC000102230672	570828999	/nfs/dbraw/zinc/82/89/99/570828999.db2.gz	LACDCJDZNRWSAS-UHFFFAOYSA-N	-1	3	358.401	2.866	50	30		FFEAHM
C=C(Cl)COC(=O)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(C)C	ZINC000097994175	728483881	/nfs/dbraw/zinc/48/38/81/728483881.db2.gz	FQJREPAHCAEGMF-FJVVXJACSA-N	-1	3	357.859	2.897	50	30		FFEAHM
COc1cc(C=NNc2nc([O-])c(Cc3ccccc3)s2)ccc1O	ZINC000018209038	263373307	/nfs/dbraw/zinc/37/33/07/263373307.db2.gz	CSBPGIJGWXMQNB-YDDPGSGASA-N	-1	3	355.419	2.565	50	30		FFEAHM
C=CCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1	ZINC000006177856	506471560	/nfs/dbraw/zinc/47/15/60/506471560.db2.gz	VHTMJGNAHXFPTP-UHFFFAOYSA-N	-1	3	360.435	2.720	50	30		FFEAHM
N#Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1	ZINC000012821893	506906263	/nfs/dbraw/zinc/90/62/63/506906263.db2.gz	LZUBGIFPNAXKID-UHFFFAOYSA-N	-1	3	361.492	2.563	50	30		FFEAHM
C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1OC	ZINC000079063418	507929581	/nfs/dbraw/zinc/92/95/81/507929581.db2.gz	VUMOOFHLFUKQEU-UHFFFAOYSA-N	-1	3	369.450	2.824	50	30		FFEAHM
CCOC(=O)c1c2c(sc1NC(=O)CN(CC)CC)/C(=N/[O-])CCC2	ZINC000004350935	204133903	/nfs/dbraw/zinc/13/39/03/204133903.db2.gz	OLBAOWISRQKCOL-XDHOZWIPSA-N	-1	3	367.471	2.720	50	30		FFEAHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1	ZINC000004866674	204170726	/nfs/dbraw/zinc/17/07/26/204170726.db2.gz	RAUHRSFCKJQRDR-CJNGLKHVSA-N	-1	3	367.327	2.576	50	30		FFEAHM
COc1cc([C@H]2NC(=S)NC(C)=C2C(C)=O)cc(Br)c1[O-]	ZINC000006857150	204277095	/nfs/dbraw/zinc/27/70/95/204277095.db2.gz	GGPNSTXLLFOZLM-GFCCVEGCSA-N	-1	3	371.256	2.545	50	30		FFEAHM
Cc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N/N=C/c3ccco3)S2)cc1	ZINC000009330013	204363243	/nfs/dbraw/zinc/36/32/43/204363243.db2.gz	DNLLHOPMMOFRON-YFEUJDIGSA-N	-1	3	356.407	2.538	50	30		FFEAHM
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2nccs2)c(OC)c1	ZINC000001219442	506256323	/nfs/dbraw/zinc/25/63/23/506256323.db2.gz	YPJJOPVPEPWNBW-AWEZNQCLSA-N	-1	3	360.391	2.649	50	30		FFEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2nccs2)c(OC)c1	ZINC000001219442	506256332	/nfs/dbraw/zinc/25/63/32/506256332.db2.gz	YPJJOPVPEPWNBW-AWEZNQCLSA-N	-1	3	360.391	2.649	50	30		FFEAHM
CCOc1cc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CCC3)ccc1O	ZINC000017821053	507128683	/nfs/dbraw/zinc/12/86/83/507128683.db2.gz	NCEUEJHVLLZFRA-CQSZACIVSA-N	-1	3	369.377	2.557	50	30		FFEAHM
COc1ccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N\c3ccccc3)S2)cc1	ZINC000018006629	507132887	/nfs/dbraw/zinc/13/28/87/507132887.db2.gz	JCYDXVRGNYGRCY-OAHLLOKOSA-N	-1	3	355.419	2.943	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[n-]c(=O)c1[C@H]2c1ccc(F)cc1	ZINC000018211572	507144759	/nfs/dbraw/zinc/14/47/59/507144759.db2.gz	AWLNSRPPNCYRKX-ZDUSSCGKSA-N	-1	3	354.385	2.692	50	30		FFEAHM
NS(=O)(=O)c1ccc(CC/N=C\c2c([O-])ccc3ccccc32)cc1	ZINC000005287638	527309124	/nfs/dbraw/zinc/30/91/24/527309124.db2.gz	WAZJWJNJGKXADQ-BKUYFWCQSA-N	-1	3	354.431	2.854	50	30		FFEAHM
COc1cc(CN=Nc2oc(C)nc2C#N)cc(Br)c1[O-]	ZINC000004276493	204130001	/nfs/dbraw/zinc/13/00/01/204130001.db2.gz	OCHBVXGPJCBFMY-OMCISZLKSA-N	-1	3	351.160	2.777	50	30		FFEAHM
COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2cccnc2)cc1OC	ZINC000000707649	506230292	/nfs/dbraw/zinc/23/02/92/506230292.db2.gz	YNQKNSBQNSTBBE-QGZVFWFLSA-N	-1	3	354.362	2.588	50	30		FFEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2cccnc2)cc1OC	ZINC000000707649	506230295	/nfs/dbraw/zinc/23/02/95/506230295.db2.gz	YNQKNSBQNSTBBE-QGZVFWFLSA-N	-1	3	354.362	2.588	50	30		FFEAHM
COc1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000001252712	506256677	/nfs/dbraw/zinc/25/66/77/506256677.db2.gz	VUOMLWCPJUQBSD-SFHVURJKSA-N	-1	3	369.373	2.898	50	30		FFEAHM
COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000001252712	506256683	/nfs/dbraw/zinc/25/66/83/506256683.db2.gz	VUOMLWCPJUQBSD-SFHVURJKSA-N	-1	3	369.373	2.898	50	30		FFEAHM
C=CCN1C(=O)N/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O	ZINC000004689306	506388441	/nfs/dbraw/zinc/38/84/41/506388441.db2.gz	FREHXPGHMPXHEJ-YRNVUSSQSA-N	-1	3	367.199	2.632	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@H]2c1ccc(O)cc1	ZINC000018209596	507144940	/nfs/dbraw/zinc/14/49/40/507144940.db2.gz	AYYDPOCMDNXSJO-ZDUSSCGKSA-N	-1	3	353.378	2.794	50	30	biogenic	FFEAHM
COc1cc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)ccc1[O-]	ZINC000071735575	507708620	/nfs/dbraw/zinc/70/86/20/507708620.db2.gz	UVSKXHOYGPTVGJ-UHFFFAOYSA-N	-1	3	353.407	2.931	50	30		FFEAHM
CC(C)c1ccn(C2(C(=O)[O-])CCN(Cc3cccc(C#N)c3)CC2)n1	ZINC000072424169	507787772	/nfs/dbraw/zinc/78/77/72/507787772.db2.gz	VSCLKHQZKDDZKD-UHFFFAOYSA-N	-1	3	352.438	2.954	50	30		FFEAHM
COc1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(OC)c1	ZINC000064307894	523402187	/nfs/dbraw/zinc/40/21/87/523402187.db2.gz	BXGKYNFZJXHZLH-YRNVUSSQSA-N	-1	3	361.419	2.971	50	30		FFEAHM
O=C(Nc1ccccc1)[C@@H]1CC(=O)[N-]/C(=N/N=C/c2ccccc2)S1	ZINC000009012874	204351953	/nfs/dbraw/zinc/35/19/53/204351953.db2.gz	UQRRATIWXFGXRQ-UZUMKDMXSA-N	-1	3	352.419	2.637	50	30		FFEAHM
Cc1ncc(CO)c(C=NNC(=S)Nc2cccc(Cl)c2)c1[O-]	ZINC000254635093	509908940	/nfs/dbraw/zinc/90/89/40/509908940.db2.gz	YFJGFVLHZQRZCR-UHFFFAOYSA-N	-1	3	350.831	2.562	50	30		FFEAHM
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)O/N=C\c1ccccc1[O-]	ZINC000008382524	518940034	/nfs/dbraw/zinc/94/00/34/518940034.db2.gz	FBJUIDUTVRSKBK-BXSODOALSA-N	-1	3	367.405	2.686	50	30		FFEAHM
CC(=NCCO)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000106027952	570874929	/nfs/dbraw/zinc/87/49/29/570874929.db2.gz	BPYDVXVKPVFWKE-UWVJOHFNSA-N	-1	3	370.356	2.595	50	30		FFEAHM
N#Cc1ccc(S(=O)(=O)[N-]Cc2[nH]nc3c2CCCCC3)c(Cl)c1	ZINC000670448957	571351838	/nfs/dbraw/zinc/35/18/38/571351838.db2.gz	QDRPVGWSESCSOZ-UHFFFAOYSA-N	-1	3	364.858	2.682	50	30		FFEAHM
[O-]c1cc(O)ccc1C=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1	ZINC000005427388	204208656	/nfs/dbraw/zinc/20/86/56/204208656.db2.gz	BNJWQPOGLDBHOX-DEDYPNTBSA-N	-1	3	368.441	2.534	50	30		FFEAHM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC#N	ZINC000062580470	205291008	/nfs/dbraw/zinc/29/10/08/205291008.db2.gz	DHSGSNJQUBAMIW-ZETCQYMHSA-N	-1	3	367.652	2.692	50	30		FFEAHM
Cc1nc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2o1	ZINC000021703951	507264864	/nfs/dbraw/zinc/26/48/64/507264864.db2.gz	KTXJVHRLGGZAED-UHFFFAOYSA-N	-1	3	350.378	2.884	50	30		FFEAHM
CCC(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC	ZINC000100117012	508238501	/nfs/dbraw/zinc/23/85/01/508238501.db2.gz	FFOIJJALOMHBBR-UHFFFAOYSA-N	-1	3	358.181	2.639	50	30		FFEAHM
O=c1[nH]c2c(-c3nc4ccccc4[nH]3)c([O-])cn2c2ccc(Cl)cc12	ZINC000003171544	204080760	/nfs/dbraw/zinc/08/07/60/204080760.db2.gz	GGLSXTBTNUQWGR-UHFFFAOYSA-N	-1	3	350.765	2.718	50	30		FFEAHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1	ZINC000004866677	204170815	/nfs/dbraw/zinc/17/08/15/204170815.db2.gz	RAUHRSFCKJQRDR-BBRMVZONSA-N	-1	3	367.327	2.576	50	30		FFEAHM
O=C1[N-]/C(=N/N=C/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000018192689	263373323	/nfs/dbraw/zinc/37/33/23/263373323.db2.gz	YDODFSWGFLYADU-LZNAANCOSA-N	-1	3	354.391	2.759	50	30		FFEAHM
O=C1N=C(N/N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccccc1[O-]	ZINC000005636484	527045332	/nfs/dbraw/zinc/04/53/32/527045332.db2.gz	URTAUPQTANSFFX-PFVOVTSXSA-N	-1	3	368.374	2.894	50	30		FFEAHM
Cc1nn(C)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c1[N+](=O)[O-]	ZINC000002782526	506292883	/nfs/dbraw/zinc/29/28/83/506292883.db2.gz	BPPCPJTYTXGHJO-QMMMGPOBSA-N	-1	3	359.411	2.947	50	30		FFEAHM
COc1cc([O-])ccc1-c1c(C#N)c(N)nc2c1CN(CC(C)C)CC2	ZINC000072146544	507758227	/nfs/dbraw/zinc/75/82/27/507758227.db2.gz	FRGWGAKTTDDRIK-UHFFFAOYSA-N	-1	3	352.438	2.931	50	30		FFEAHM
CCCCS(=O)(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000017044912	520942154	/nfs/dbraw/zinc/94/21/54/520942154.db2.gz	KZBRIBCVZCYWFE-UHFFFAOYSA-N	-1	3	370.412	2.656	50	30		FFEAHM
COc1ccc(/C=C2\SC(N/N=C/c3ccccc3[O-])=NC2=O)cc1	ZINC000005558623	207106258	/nfs/dbraw/zinc/10/62/58/207106258.db2.gz	VVBRNCOBMAIGNK-WJEOPBEZSA-N	-1	3	353.403	2.995	50	30		FFEAHM
C/C(=N\N=C1/SC(CC(=O)[O-])C(=O)N1c1ccccc1)c1ccco1	ZINC000039366553	208211189	/nfs/dbraw/zinc/21/11/89/208211189.db2.gz	LPWZTQQUBFICOZ-VQNQYXIMSA-N	-1	3	357.391	2.983	50	30		FFEAHM
O=C(Cn1c(=O)cnc2ccccc21)Nc1nnc(-c2cccs2)[n-]1	ZINC000048310142	208398035	/nfs/dbraw/zinc/39/80/35/208398035.db2.gz	FCWSZZMXSVAFBN-UHFFFAOYSA-N	-1	3	352.379	2.531	50	30		FFEAHM
O=C(Cn1c(=O)cnc2ccccc21)Nc1n[n-]c(-c2cccs2)n1	ZINC000048310142	208398037	/nfs/dbraw/zinc/39/80/37/208398037.db2.gz	FCWSZZMXSVAFBN-UHFFFAOYSA-N	-1	3	352.379	2.531	50	30		FFEAHM
COc1cc(N=C([N-]S(=O)(=O)c2ccccc2)c2ccccc2)ncn1	ZINC000013755420	506955404	/nfs/dbraw/zinc/95/54/04/506955404.db2.gz	MZSJWXZUCNGFOQ-UHFFFAOYSA-N	-1	3	368.418	2.542	50	30		FFEAHM
C#CCN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O	ZINC000013939714	506957788	/nfs/dbraw/zinc/95/77/88/506957788.db2.gz	KTOKWBXTZQXDSB-XFFZJAGNSA-N	-1	3	368.208	2.833	50	30		FFEAHM
CC(C)c1nccn1CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000670447723	571351406	/nfs/dbraw/zinc/35/14/06/571351406.db2.gz	PNPCJKLGPPANEJ-UHFFFAOYSA-N	-1	3	366.874	2.900	50	30		FFEAHM
CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C#N)cc2)N1	ZINC000005064885	207078156	/nfs/dbraw/zinc/07/81/56/207078156.db2.gz	XOPZECPTNFAVCK-MRXNPFEDSA-N	-1	3	369.343	2.822	50	30		FFEAHM
Cc1cccc(OCCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000009317013	207265575	/nfs/dbraw/zinc/26/55/75/207265575.db2.gz	SJEFXAYLTJEUCA-UHFFFAOYSA-N	-1	3	367.449	2.690	50	30		FFEAHM
O=S(=O)(Cc1ccccc1)N/N=C/c1cc(Br)ccc1[O-]	ZINC000004705094	263336340	/nfs/dbraw/zinc/33/63/40/263336340.db2.gz	JJYYQEPUQAUGDM-CXUHLZMHSA-N	-1	3	369.240	2.608	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@@H]2c1ccccc1Cl	ZINC000001431731	506262050	/nfs/dbraw/zinc/26/20/50/506262050.db2.gz	VVYJNZDCVWUHRU-CYBMUJFWSA-N	-1	3	371.824	2.917	50	30		FFEAHM
Cc1c(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C(N)=O	ZINC000002760843	506290118	/nfs/dbraw/zinc/29/01/18/506290118.db2.gz	LCQXFBFLQYHGNN-UHFFFAOYSA-N	-1	3	364.770	2.841	50	30		FFEAHM
Cc1cccc(C(=O)Oc2ccc(C=NNc3nc([O-])cs3)cc2)c1	ZINC000005619499	524225583	/nfs/dbraw/zinc/22/55/83/524225583.db2.gz	BHDGXWYWHJMCEQ-VXLYETTFSA-N	-1	3	353.403	2.767	50	30		FFEAHM
Cc1c(C([O-])=C(C#N)c2ccc(F)cn2)cnn1CCO[C@H]1CCCCO1	ZINC000131145652	525670848	/nfs/dbraw/zinc/67/08/48/525670848.db2.gz	AQPHPVRLHRLJNA-QAPCUYQASA-N	-1	3	372.400	2.759	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@H]2c1cccc(Cl)c1	ZINC000004487891	207022257	/nfs/dbraw/zinc/02/22/57/207022257.db2.gz	HAWAXKNCHUXFON-ZDUSSCGKSA-N	-1	3	371.824	2.917	50	30		FFEAHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1	ZINC000004866673	207056760	/nfs/dbraw/zinc/05/67/60/207056760.db2.gz	RAUHRSFCKJQRDR-CZUORRHYSA-N	-1	3	367.327	2.576	50	30		FFEAHM
Nc1c(-c2nc3ccccc3[nH]2)c([O-])cn1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005009268	207070905	/nfs/dbraw/zinc/07/09/05/207070905.db2.gz	WVOJGTPUWYJKJH-UHFFFAOYSA-N	-1	3	369.768	2.841	50	30		FFEAHM
Cc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N/N=C/c3ccco3)S2)cc1	ZINC000009330012	207267590	/nfs/dbraw/zinc/26/75/90/207267590.db2.gz	DNLLHOPMMOFRON-XKYMITNMSA-N	-1	3	356.407	2.538	50	30		FFEAHM
C=CC[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000036638830	207285282	/nfs/dbraw/zinc/28/52/82/207285282.db2.gz	HEVCUNJRJZAHDC-UHFFFAOYSA-N	-1	3	355.051	2.676	50	30		FFEAHM
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCN(C)CC1	ZINC000036353431	208157607	/nfs/dbraw/zinc/15/76/07/208157607.db2.gz	YAUKWCAFVXQPRX-QGZVFWFLSA-N	-1	3	358.442	2.785	50	30		FFEAHM
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000003100920	506309157	/nfs/dbraw/zinc/30/91/57/506309157.db2.gz	XWLHVWXIULQUQO-CQSZACIVSA-N	-1	3	366.801	2.754	50	30		FFEAHM
COc1cc(OC)c([C@@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc1OC	ZINC000012389745	506858105	/nfs/dbraw/zinc/85/81/05/506858105.db2.gz	AABUAJFNDCALFA-INIZCTEOSA-N	-1	3	372.381	2.681	50	30		FFEAHM
CC1(C)CC(=O)C(=N[N-]c2cc(C(N)=O)c(Cl)cc2Cl)C(=O)C1	ZINC000015660033	507054485	/nfs/dbraw/zinc/05/44/85/507054485.db2.gz	VPEDDDHZGIVQTG-UHFFFAOYSA-N	-1	3	356.209	2.818	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000018168403	507142338	/nfs/dbraw/zinc/14/23/38/507142338.db2.gz	SPRMZDNAEZLFRM-CLXYIWAZSA-N	-1	3	354.391	2.759	50	30		FFEAHM
N#Cc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1	ZINC000004866675	207056533	/nfs/dbraw/zinc/05/65/33/207056533.db2.gz	RAUHRSFCKJQRDR-XJKSGUPXSA-N	-1	3	367.327	2.576	50	30		FFEAHM
COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007025796	207184208	/nfs/dbraw/zinc/18/42/08/207184208.db2.gz	IUMVWGQUVWNCKP-LBPRGKRZSA-N	-1	3	374.418	2.589	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)CCNC(=O)C2CCCC2)n[n-]1	ZINC000040154210	506476357	/nfs/dbraw/zinc/47/63/57/506476357.db2.gz	QXPFUJWECUHSCS-UHFFFAOYSA-N	-1	3	357.414	2.765	50	30		FFEAHM
COc1ccc(CCN2C=C([O-])C(c3nc4ccc(C)cc4[nH]3)C2=N)cc1	ZINC000019820081	507201786	/nfs/dbraw/zinc/20/17/86/507201786.db2.gz	ZUHYYSDFWTVFIL-UHFFFAOYSA-N	-1	3	362.433	2.635	50	30		FFEAHM
COc1cccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1OC	ZINC000058161133	507376185	/nfs/dbraw/zinc/37/61/85/507376185.db2.gz	MLXOSSSZUHYNKL-FMIVXFBMSA-N	-1	3	361.419	2.971	50	30		FFEAHM
C=CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Sc3nncn3C)o2)C1	ZINC000091656630	519109900	/nfs/dbraw/zinc/10/99/00/519109900.db2.gz	IQUZJHZQZZWOBU-QGZVFWFLSA-N	-1	3	362.455	2.802	50	30		FFEAHM
C=C(Cl)COC(=O)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(C)C	ZINC000097994174	728483746	/nfs/dbraw/zinc/48/37/46/728483746.db2.gz	FQJREPAHCAEGMF-KVPUOBJLSA-N	-1	3	357.859	2.897	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(-c2ccco2)s1	ZINC000048260436	208392949	/nfs/dbraw/zinc/39/29/49/208392949.db2.gz	LCGCIPUCRISBAO-UHFFFAOYSA-N	-1	3	369.406	2.546	50	30		FFEAHM
N#Cc1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c(F)c1	ZINC000065538758	136136655	/nfs/dbraw/zinc/13/66/55/136136655.db2.gz	BBTKHRSTNHOLIS-UHFFFAOYSA-N	-1	3	365.455	2.706	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)[C@H](C)NC(=O)c2cccs2)n[n-]1	ZINC000052778885	506249880	/nfs/dbraw/zinc/24/98/80/506249880.db2.gz	XTAHSDVDQGYWMC-JTQLQIEISA-N	-1	3	371.422	2.948	50	30		FFEAHM
COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@@H]2c2ccc(O)c(OC)c2)c1	ZINC000001220692	506255946	/nfs/dbraw/zinc/25/59/46/506255946.db2.gz	LJXFQXKMJYMNPL-SFHVURJKSA-N	-1	3	369.373	2.898	50	30		FFEAHM
C=CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1cccnc1	ZINC000009426913	506695291	/nfs/dbraw/zinc/69/52/91/506695291.db2.gz	URDDNDYWMXKVPV-UHFFFAOYSA-N	-1	3	367.434	2.963	50	30		FFEAHM
O=C([O-])CC1S/C(=N\N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O	ZINC000013154223	506929921	/nfs/dbraw/zinc/92/99/21/506929921.db2.gz	ZFXSHIOAVVLRMG-WMXLLWMXSA-N	-1	3	369.402	2.705	50	30		FFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2nc(C)cs2)ccc1Cl	ZINC000024924901	507449664	/nfs/dbraw/zinc/44/96/64/507449664.db2.gz	WXHCPVXIHNNLDM-UHFFFAOYSA-N	-1	3	371.871	2.822	50	30		FFEAHM
C=CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Sc3nncn3C)o2)C1	ZINC000091656631	519121448	/nfs/dbraw/zinc/12/14/48/519121448.db2.gz	IQUZJHZQZZWOBU-KRWDZBQOSA-N	-1	3	362.455	2.802	50	30		FFEAHM
CCOc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2[O-])cc1	ZINC000032577087	521190988	/nfs/dbraw/zinc/19/09/88/521190988.db2.gz	JFLPSRZEDIXNNR-YVLHZVERSA-N	-1	3	354.815	2.757	50	30		FFEAHM
O=C([O-])CC1S/C(=N\N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O	ZINC000013659305	207474280	/nfs/dbraw/zinc/47/42/80/207474280.db2.gz	ZFXSHIOAVVLRMG-IWNUIWIRSA-N	-1	3	369.402	2.705	50	30		FFEAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCCN(C(=O)c2ccco2)C1	ZINC000040071130	208221832	/nfs/dbraw/zinc/22/18/32/208221832.db2.gz	ZKHGTGQZIPYBDH-QMMMGPOBSA-N	-1	3	357.292	2.557	50	30		FFEAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCCN(C(=O)c2ccco2)C1	ZINC000040071130	208221836	/nfs/dbraw/zinc/22/18/36/208221836.db2.gz	ZKHGTGQZIPYBDH-QMMMGPOBSA-N	-1	3	357.292	2.557	50	30		FFEAHM
N#CC1=C([O-])NC(Nc2ccccc2)=NC12CCN(Cc1ccccc1)CC2	ZINC000016626334	507100113	/nfs/dbraw/zinc/10/01/13/507100113.db2.gz	OENRGXCESPRYLW-LJQANCHMSA-N	-1	3	373.460	2.759	50	30		FFEAHM
CCCn1c(=O)[n-]nc1SCC(=O)C=C1N(C)c2ccccc2C1(C)C	ZINC000021126064	521614793	/nfs/dbraw/zinc/61/47/93/521614793.db2.gz	MBFCMFAIPIQLDM-LFIBNONCSA-N	-1	3	372.494	2.954	50	30		FFEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccnn3C)sc2C1	ZINC000004646661	207033960	/nfs/dbraw/zinc/03/39/60/207033960.db2.gz	WPAWIFPPAYJRLW-VIFPVBQESA-N	-1	3	359.480	2.605	50	30		FFEAHM
CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1	ZINC000040153399	208237076	/nfs/dbraw/zinc/23/70/76/208237076.db2.gz	FBPFCWWYBHUXRQ-VIFPVBQESA-N	-1	3	362.356	2.585	50	30		FFEAHM
CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1	ZINC000040153399	208237078	/nfs/dbraw/zinc/23/70/78/208237078.db2.gz	FBPFCWWYBHUXRQ-VIFPVBQESA-N	-1	3	362.356	2.585	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc32)n[n-]1	ZINC000095477919	209058436	/nfs/dbraw/zinc/05/84/36/209058436.db2.gz	MLKOMRDRIRTHOP-AWEZNQCLSA-N	-1	3	363.377	2.943	50	30		FFEAHM
CCOC(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)nn1C	ZINC000000651411	506225778	/nfs/dbraw/zinc/22/57/78/506225778.db2.gz	WXOVBJDPOKOEOS-UHFFFAOYSA-N	-1	3	358.423	2.661	50	30		FFEAHM
CCn1cc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CCCC3)cn1	ZINC000002779808	506292007	/nfs/dbraw/zinc/29/20/07/506292007.db2.gz	ZPVFPXHAGRDGRL-UHFFFAOYSA-N	-1	3	359.480	2.842	50	30		FFEAHM
Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCCC2)no1	ZINC000059829214	507504860	/nfs/dbraw/zinc/50/48/60/507504860.db2.gz	XBPDWDLHHCWCCP-UHFFFAOYSA-N	-1	3	366.830	2.651	50	30		FFEAHM
CN(C)S(=O)(=O)c1cc(N=Cc2cccc([O-])c2O)ccc1Cl	ZINC000254909257	509911543	/nfs/dbraw/zinc/91/15/43/509911543.db2.gz	ZYHPBVUHGUWNGK-UHFFFAOYSA-N	-1	3	354.815	2.752	50	30		FFEAHM
COCc1cc(=O)[n-]c(NC(=N)Nc2ccc(Oc3ccccc3)cc2)n1	ZINC000015985600	522903605	/nfs/dbraw/zinc/90/36/05/522903605.db2.gz	HEIUVWXGUHFISP-UHFFFAOYSA-N	-1	3	365.393	2.767	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n[n-]1	ZINC000052778943	211911420	/nfs/dbraw/zinc/91/14/20/211911420.db2.gz	YLSLKNOYHJLVBU-OAHLLOKOSA-N	-1	3	364.361	2.850	50	30		FFEAHM
COc1ccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N\c3ccccc3)S2)cc1	ZINC000018105993	211191780	/nfs/dbraw/zinc/19/17/80/211191780.db2.gz	JCYDXVRGNYGRCY-HNNXBMFYSA-N	-1	3	355.419	2.943	50	30		FFEAHM
C/C(=N\N=C1\SC(CC(=O)[O-])C(=O)N1c1ccccc1)c1ccco1	ZINC000004480849	506378046	/nfs/dbraw/zinc/37/80/46/506378046.db2.gz	LPWZTQQUBFICOZ-YXRMGYSCSA-N	-1	3	357.391	2.983	50	30		FFEAHM
CCOC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000009335922	506692053	/nfs/dbraw/zinc/69/20/53/506692053.db2.gz	GFHUVIQUKNYRFH-UHFFFAOYSA-N	-1	3	367.405	2.611	50	30		FFEAHM
C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1	ZINC000058193507	507383093	/nfs/dbraw/zinc/38/30/93/507383093.db2.gz	PYHSLJFLPLXCMQ-NSHDSACASA-N	-1	3	372.381	2.787	50	30		FFEAHM
N#Cc1cc(F)cc(C(=O)N2CCc3c(=O)[n-]c(-c4ccccc4)nc3C2)c1	ZINC000072125401	507751210	/nfs/dbraw/zinc/75/12/10/507751210.db2.gz	UANSQRIJDNBYCY-UHFFFAOYSA-N	-1	3	374.375	2.646	50	30		FFEAHM
CC(C)(C#N)c1ccc([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)cc1	ZINC000095352717	535006190	/nfs/dbraw/zinc/00/61/90/535006190.db2.gz	ZXCAKONSZDDHSL-LJQANCHMSA-N	-1	3	364.449	2.831	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F	ZINC000008981982	506675786	/nfs/dbraw/zinc/67/57/86/506675786.db2.gz	HWFWGCDLXHLVLQ-LBPRGKRZSA-N	-1	3	359.376	2.952	50	30		FFEAHM
Cc1cc(S(=O)(=O)[N-]/N=C/c2ccccc2Cl)ccc1[N+](=O)[O-]	ZINC000220980001	509304622	/nfs/dbraw/zinc/30/46/22/509304622.db2.gz	CORBZQYYJJUKTK-CXUHLZMHSA-N	-1	3	353.787	2.869	50	30		FFEAHM
O=C1[N-]C(=O)c2c1cccc2NC=C1C(=O)CC2(CCCCC2)CC1=O	ZINC000102398997	570831271	/nfs/dbraw/zinc/83/12/71/570831271.db2.gz	MWJKMDQLUHURNP-UHFFFAOYSA-N	-1	3	352.390	2.749	50	30		FFEAHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nnn[n-]2)cc1	ZINC000032908470	210167433	/nfs/dbraw/zinc/16/74/33/210167433.db2.gz	TYUXBOXLOIQEQS-UHFFFAOYSA-N	-1	3	366.384	2.914	50	30		FFEAHM
O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2nn[n-]n2)cc1	ZINC000032908470	210167439	/nfs/dbraw/zinc/16/74/39/210167439.db2.gz	TYUXBOXLOIQEQS-UHFFFAOYSA-N	-1	3	366.384	2.914	50	30		FFEAHM
COc1ccc(S(=O)(=O)N/N=C\c2c([O-])ccc3ccccc32)cc1	ZINC000017073580	211177888	/nfs/dbraw/zinc/17/78/88/211177888.db2.gz	KDAQLDLDENTJJQ-UNOMPAQXSA-N	-1	3	356.403	2.866	50	30		FFEAHM
Cc1cccc(OCCN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1	ZINC000016148539	211155333	/nfs/dbraw/zinc/15/53/33/211155333.db2.gz	MMVFOJOALVWGHA-UHFFFAOYSA-N	-1	3	367.449	2.642	50	30		FFEAHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000012914835	211007242	/nfs/dbraw/zinc/00/72/42/211007242.db2.gz	FFKANDPRDIMVRV-UHFFFAOYSA-N	-1	3	354.366	2.651	50	30		FFEAHM
C/C(=N\N=C1\SC(CC(=O)[O-])C(=O)N1c1ccccc1)c1ccco1	ZINC000004480845	506377987	/nfs/dbraw/zinc/37/79/87/506377987.db2.gz	LPWZTQQUBFICOZ-QIQUMSAJSA-N	-1	3	357.391	2.983	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)CCNC(=O)c2cccs2)n[n-]1	ZINC000040154195	506476207	/nfs/dbraw/zinc/47/62/07/506476207.db2.gz	TYCSUXQDWUUQFZ-UHFFFAOYSA-N	-1	3	371.422	2.950	50	30		FFEAHM
CC(=NC(=S)Nc1nc(C)cc(=O)[n-]1)c1ccc(Br)cc1	ZINC000006694224	506497389	/nfs/dbraw/zinc/49/73/89/506497389.db2.gz	KRKLCKGKCPPIOQ-RQZCQDPDSA-N	-1	3	365.256	2.881	50	30		FFEAHM
COc1cc([C@@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc(OC)c1OC	ZINC000012389024	506857370	/nfs/dbraw/zinc/85/73/70/506857370.db2.gz	HPJOUHRNKPTSQK-HNNXBMFYSA-N	-1	3	372.381	2.681	50	30		FFEAHM
C=CCn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1ccc(C)cc1	ZINC000013945021	506959819	/nfs/dbraw/zinc/95/98/19/506959819.db2.gz	QSCAKSGAMOQQIE-UHFFFAOYSA-N	-1	3	373.507	2.751	50	30		FFEAHM
CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC(O)C1	ZINC000220170342	509298779	/nfs/dbraw/zinc/29/87/79/509298779.db2.gz	AENKFYLQXGNHMG-PIMMBPRGSA-N	-1	3	364.492	2.909	50	30		FFEAHM
Cc1csc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCOCC2)c1	ZINC000528552440	516524451	/nfs/dbraw/zinc/52/44/51/516524451.db2.gz	KZNYBUKZVBCFSR-UHFFFAOYSA-N	-1	3	362.476	2.912	50	30		FFEAHM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O	ZINC000005101629	506422950	/nfs/dbraw/zinc/42/29/50/506422950.db2.gz	ZFXSHIOAVVLRMG-GVEDISACSA-N	-1	3	369.402	2.705	50	30		FFEAHM
COC(=O)c1ccc2nc(C=C([O-])c3ccc(OC)cc3)c(=O)[nH]c2c1	ZINC000077024232	508274890	/nfs/dbraw/zinc/27/48/90/508274890.db2.gz	LZHNOYXPOMKING-MHWRWJLKSA-N	-1	3	352.346	2.613	50	30		FFEAHM
Cc1cc(C=O)c([O-])c(/C=N/CC/N=C/c2cc(C)cc(C=O)c2O)c1	ZINC000002273682	524610436	/nfs/dbraw/zinc/61/04/36/524610436.db2.gz	BTCUSZGCBDOBJH-VGENTYGXSA-N	-1	3	352.390	2.878	50	30		FFEAHM
Nc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O	ZINC000013598487	220078562	/nfs/dbraw/zinc/07/85/62/220078562.db2.gz	VYQBGGOFHGLBCQ-CYBMUJFWSA-N	-1	3	360.348	2.656	50	30		FFEAHM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2[O-])[C@@H]1c1ccccc1	ZINC000020310624	220319588	/nfs/dbraw/zinc/31/95/88/220319588.db2.gz	RMPWZPKOXLXJSN-SFHVURJKSA-N	-1	3	366.417	2.532	50	30		FFEAHM
COc1cccc(C(=O)C=c2nc3c([n-]c2=O)=CC(Br)=CN3)c1	ZINC000085958847	508320467	/nfs/dbraw/zinc/32/04/67/508320467.db2.gz	DZIMMASWRVOEIT-NTUHNPAUSA-N	-1	3	374.194	2.984	50	30		FFEAHM
CCCOc1ccc(C=NN=c2cc(C)[nH]c(N3CCOCC3)n2)c([O-])c1	ZINC000004812394	520323104	/nfs/dbraw/zinc/32/31/04/520323104.db2.gz	WEZIDBXQDOGEPM-DEDYPNTBSA-N	-1	3	371.441	2.562	50	30		FFEAHM
CCOC(=O)c1cnc(N=NCc2cc(Br)ccc2[O-])nc1	ZINC000252501295	521571447	/nfs/dbraw/zinc/57/14/47/521571447.db2.gz	UDOCESXAMGIMLA-QGMBQPNBSA-N	-1	3	365.187	2.567	50	30		FFEAHM
C/N=C1\S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1C	ZINC000004674578	210550523	/nfs/dbraw/zinc/55/05/23/210550523.db2.gz	FXDPFHBXSRNQCZ-FWNMTXRZSA-N	-1	3	374.203	2.529	50	30		FFEAHM
Cc1c(C#N)c([N-]C(=O)c2nn(C)c(C)c2Cl)sc1C(=O)N(C)C	ZINC000002779138	210421851	/nfs/dbraw/zinc/42/18/51/210421851.db2.gz	CCAQVSGQAOQLBE-UHFFFAOYSA-N	-1	3	365.846	2.578	50	30		FFEAHM
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2[O-])[C@H]1c1ccccc1	ZINC000020310628	220320394	/nfs/dbraw/zinc/32/03/94/220320394.db2.gz	RMPWZPKOXLXJSN-GOSISDBHSA-N	-1	3	366.417	2.532	50	30		FFEAHM
Cc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000000780026	210269240	/nfs/dbraw/zinc/26/92/40/210269240.db2.gz	DMDWLIHJUHOUNE-AWEZNQCLSA-N	-1	3	357.369	2.537	50	30		FFEAHM
CCCOc1ccccc1CCCn1ccc2[n-]c(=O)c(C#N)cc2c1=O	ZINC000067604178	221262762	/nfs/dbraw/zinc/26/27/62/221262762.db2.gz	GFFZBCHNVYVRFF-UHFFFAOYSA-N	-1	3	363.417	2.983	50	30		FFEAHM
CNC(=O)N([O-])[C@@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C	ZINC000004795123	506394783	/nfs/dbraw/zinc/39/47/83/506394783.db2.gz	FQFXYXRWBLMMHW-CPWFCVNUSA-N	-1	3	356.448	2.629	50	30		FFEAHM
CCN(CC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1	ZINC000006497070	506486601	/nfs/dbraw/zinc/48/66/01/506486601.db2.gz	YSYJWOZCSKKWMS-INIZCTEOSA-N	-1	3	357.435	2.602	50	30		FFEAHM
O=c1[nH]ncc(NN=Cc2c([O-])ccc3ccccc32)c1Br	ZINC000012374189	506855877	/nfs/dbraw/zinc/85/58/77/506855877.db2.gz	UMIHPKIJUVDYQL-IDUWFGFVSA-N	-1	3	359.183	2.837	50	30		FFEAHM
C=C(Cl)COC(=O)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C	ZINC000022988082	507323314	/nfs/dbraw/zinc/32/33/14/507323314.db2.gz	FQJREPAHCAEGMF-FEAKQIBJSA-N	-1	3	357.859	2.897	50	30		FFEAHM
C=CCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c([O-])c1O	ZINC000254735820	509908650	/nfs/dbraw/zinc/90/86/50/509908650.db2.gz	YEIYHBVAYULOAK-UHFFFAOYSA-N	-1	3	357.391	2.895	50	30		FFEAHM
Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3c(=O)[n-]2)=C1N	ZINC000000939952	210292425	/nfs/dbraw/zinc/29/24/25/210292425.db2.gz	IDWGJQBZLGWZFD-UHFFFAOYSA-N	-1	3	366.808	2.602	50	30		FFEAHM
CCCCc1nnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1	ZINC000022742548	220395270	/nfs/dbraw/zinc/39/52/70/220395270.db2.gz	ORFGSLLUPNRSQH-UHFFFAOYSA-N	-1	3	359.455	2.629	50	30		FFEAHM
COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1c(C)cccc1C	ZINC000170598309	509675098	/nfs/dbraw/zinc/67/50/98/509675098.db2.gz	CQXFUWWJXXNHFW-GOSISDBHSA-N	-1	3	372.446	2.509	50	30		FFEAHM
CCCCCOc1ccc(C=NNc2[n-]c(=O)nnc2C)cc1OCC	ZINC000004422731	520251094	/nfs/dbraw/zinc/25/10/94/520251094.db2.gz	AWCFGTAWILIWKZ-XDHOZWIPSA-N	-1	3	359.430	2.887	50	30		FFEAHM
COc1cc(C=NNc2cnnc(=O)[n-]2)ccc1OCc1ccccc1C	ZINC000004749618	521992062	/nfs/dbraw/zinc/99/20/62/521992062.db2.gz	AYSAXYYNWLTYBG-KEBDBYFISA-N	-1	3	365.393	2.507	50	30		FFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@H]23)cc1	ZINC000101294789	210104519	/nfs/dbraw/zinc/10/45/19/210104519.db2.gz	YHJBVLSWZJUAOT-AEFFLSMTSA-N	-1	3	366.348	2.683	50	30		FFEAHM
C=CCNC(=O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21	ZINC000040080052	210042597	/nfs/dbraw/zinc/04/25/97/210042597.db2.gz	FZLKNSGNEAXDFX-UHFFFAOYSA-N	-1	3	365.349	2.639	50	30		FFEAHM
CC(C)c1ccc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018199482	211193800	/nfs/dbraw/zinc/19/38/00/211193800.db2.gz	RPJQTESELDDTQF-HNNXBMFYSA-N	-1	3	351.406	2.751	50	30		FFEAHM
CCOC(=O)C(=N[N-]c1sc2c(c1C(=O)OCC)CCCC2)C(C)=O	ZINC000000977795	210297434	/nfs/dbraw/zinc/29/74/34/210297434.db2.gz	KSUMQUCXGNUEKT-JXAWBTAJSA-N	-1	3	366.439	2.724	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3	ZINC000065814131	221236622	/nfs/dbraw/zinc/23/66/22/221236622.db2.gz	ORNPIOCPWZFNCZ-RYTJFDOTSA-N	-1	3	353.466	2.833	50	30		FFEAHM
N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1	ZINC000032911858	506311124	/nfs/dbraw/zinc/31/11/24/506311124.db2.gz	RJXIBGMHLRGBFJ-UHFFFAOYSA-N	-1	3	371.249	2.650	50	30		FFEAHM
Cc1nnc(=O)[n-]c1NN=Cc1ccc(OCc2ccc(F)cc2)cc1	ZINC000004422710	506376778	/nfs/dbraw/zinc/37/67/78/506376778.db2.gz	XOGATPHASJYUMB-KEBDBYFISA-N	-1	3	353.357	2.637	50	30		FFEAHM
CCN(Cc1cccc(F)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C	ZINC000009691543	506708828	/nfs/dbraw/zinc/70/88/28/506708828.db2.gz	YYHRHCJRAWDWLQ-UHFFFAOYSA-N	-1	3	355.413	2.984	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc32)n[n-]1	ZINC000095477918	508189063	/nfs/dbraw/zinc/18/90/63/508189063.db2.gz	MLKOMRDRIRTHOP-CQSZACIVSA-N	-1	3	363.377	2.943	50	30		FFEAHM
N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1ccc(C(F)(F)F)cn1	ZINC000041555822	526493681	/nfs/dbraw/zinc/49/36/81/526493681.db2.gz	BDQLYJCRLDDXQN-CYBMUJFWSA-N	-1	3	362.311	2.759	50	30		FFEAHM
COc1ccc(N2C(=O)C([O-])=C(C(C)=O)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000001252713	219392937	/nfs/dbraw/zinc/39/29/37/219392937.db2.gz	VUOMLWCPJUQBSD-GOSISDBHSA-N	-1	3	369.373	2.898	50	30		FFEAHM
COc1ccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000001252713	219392940	/nfs/dbraw/zinc/39/29/40/219392940.db2.gz	VUOMLWCPJUQBSD-GOSISDBHSA-N	-1	3	369.373	2.898	50	30		FFEAHM
O=c1[nH]c2c3cc(Cl)ccc3[nH]c2c(=O)n1N=Cc1ccc(O)cc1[O-]	ZINC000017058117	220202797	/nfs/dbraw/zinc/20/27/97/220202797.db2.gz	PFJBQYAELKMJFY-FBCYGCLPSA-N	-1	3	370.752	2.530	50	30		FFEAHM
C=CCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCOc3ccccc3C1)C2	ZINC000067434114	221254965	/nfs/dbraw/zinc/25/49/65/221254965.db2.gz	BKQRWTQYQVFSFX-OAHLLOKOSA-N	-1	3	353.422	2.519	50	30		FFEAHM
N#Cc1c(N)nc2c(c1-c1ccccc1OCCO)Cc1c-2cccc1[O-]	ZINC000071762611	221369696	/nfs/dbraw/zinc/36/96/96/221369696.db2.gz	QMNWZPNAMMJEOM-UHFFFAOYSA-N	-1	3	359.385	2.850	50	30		FFEAHM
CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C#N)cc2)N1	ZINC000005064886	506418896	/nfs/dbraw/zinc/41/88/96/506418896.db2.gz	XOPZECPTNFAVCK-INIZCTEOSA-N	-1	3	369.343	2.822	50	30		FFEAHM
COc1cc([C@@H]2NC(=S)NC(C)=C2C(C)=O)cc(Br)c1[O-]	ZINC000006857139	506512134	/nfs/dbraw/zinc/51/21/34/506512134.db2.gz	GGPNSTXLLFOZLM-LBPRGKRZSA-N	-1	3	371.256	2.545	50	30		FFEAHM
COc1cc(OC)c([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)cc1OC	ZINC000012348471	506854022	/nfs/dbraw/zinc/85/40/22/506854022.db2.gz	LKQPLNWTBFDSKP-OAHLLOKOSA-N	-1	3	371.393	2.706	50	30		FFEAHM
COc1cc(OC)c([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1OC	ZINC000012348471	506854027	/nfs/dbraw/zinc/85/40/27/506854027.db2.gz	LKQPLNWTBFDSKP-OAHLLOKOSA-N	-1	3	371.393	2.706	50	30		FFEAHM
O=c1[nH]c2c(-c3nc4ccccc4s3)c([O-])cn2c2ccc(F)cc12	ZINC000102231395	570829052	/nfs/dbraw/zinc/82/90/52/570829052.db2.gz	QTWAHWDXBOCJTM-UHFFFAOYSA-N	-1	3	351.362	2.937	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2F)S[C@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000004996713	506413295	/nfs/dbraw/zinc/41/32/95/506413295.db2.gz	GBAJZGFOTIVNJV-RPJLVFAOSA-N	-1	3	372.381	2.898	50	30		FFEAHM
COC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cccc(OC)c1	ZINC000585091926	571320355	/nfs/dbraw/zinc/32/03/55/571320355.db2.gz	KLUGTQXZEWDNHZ-QGZVFWFLSA-N	-1	3	360.435	2.541	50	30		FFEAHM
Cc1ccc(-c2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)n[n-]2)s1	ZINC000058244735	221110109	/nfs/dbraw/zinc/11/01/09/221110109.db2.gz	QKQAFEQXNZAALJ-UHFFFAOYSA-N	-1	3	362.436	2.881	50	30		FFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1	ZINC000101294793	222267911	/nfs/dbraw/zinc/26/79/11/222267911.db2.gz	YHJBVLSWZJUAOT-FUHWJXTLSA-N	-1	3	366.348	2.683	50	30		FFEAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCN(C(=O)c2ccco2)C1	ZINC000040071131	506463236	/nfs/dbraw/zinc/46/32/36/506463236.db2.gz	ZKHGTGQZIPYBDH-MRVPVSSYSA-N	-1	3	357.292	2.557	50	30		FFEAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCN(C(=O)c2ccco2)C1	ZINC000040071131	506463240	/nfs/dbraw/zinc/46/32/40/506463240.db2.gz	ZKHGTGQZIPYBDH-MRVPVSSYSA-N	-1	3	357.292	2.557	50	30		FFEAHM
C=CCNC(=S)NN=Cc1cc(Br)c([O-])c(OCC)c1	ZINC000006758643	506504501	/nfs/dbraw/zinc/50/45/01/506504501.db2.gz	KMRWZAREMKOCCO-UHFFFAOYSA-N	-1	3	358.261	2.537	50	30		FFEAHM
C=CCn1c2ccccc2c2nnc(SCC(=O)[N-]C(=O)OCC)nc21	ZINC000334160804	511466163	/nfs/dbraw/zinc/46/61/63/511466163.db2.gz	MRORXPGXOOLRJM-UHFFFAOYSA-N	-1	3	371.422	2.530	50	30		FFEAHM
COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(C)c2[N+](=O)[O-])c1	ZINC000103503659	526195910	/nfs/dbraw/zinc/19/59/10/526195910.db2.gz	QEJVVSKKBQHTRA-HNNXBMFYSA-N	-1	3	353.334	2.873	50	30		FFEAHM
N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1ccc(C(F)(F)F)cn1	ZINC000041555820	526507932	/nfs/dbraw/zinc/50/79/32/526507932.db2.gz	BDQLYJCRLDDXQN-ZDUSSCGKSA-N	-1	3	362.311	2.759	50	30		FFEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccn(C)n3)sc2C1	ZINC000000832657	219329046	/nfs/dbraw/zinc/32/90/46/219329046.db2.gz	QSSAECSRIREBAC-SECBINFHSA-N	-1	3	359.480	2.605	50	30		FFEAHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]/N=C\c2ccccc2C(F)(F)F)c1	ZINC000017076404	220205916	/nfs/dbraw/zinc/20/59/16/220205916.db2.gz	BHUKVTVEBHALOE-NVMNQCDNSA-N	-1	3	373.312	2.926	50	30		FFEAHM
CCOC(=O)c1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018195660	220228268	/nfs/dbraw/zinc/22/82/68/220228268.db2.gz	BWBRWFMEOQBREX-CQSZACIVSA-N	-1	3	353.378	2.857	50	30		FFEAHM
COc1ccc(-n2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)n2)cc1	ZINC000055280339	221064425	/nfs/dbraw/zinc/06/44/25/221064425.db2.gz	FMJUCAUGAKHNSN-UHFFFAOYSA-N	-1	3	361.365	2.697	50	30		FFEAHM
COc1ccc(-n2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)n2)cc1	ZINC000055280339	221064427	/nfs/dbraw/zinc/06/44/27/221064427.db2.gz	FMJUCAUGAKHNSN-UHFFFAOYSA-N	-1	3	361.365	2.697	50	30		FFEAHM
COc1ccc(-n2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)n2)cc1	ZINC000055280339	221064430	/nfs/dbraw/zinc/06/44/30/221064430.db2.gz	FMJUCAUGAKHNSN-UHFFFAOYSA-N	-1	3	361.365	2.697	50	30		FFEAHM
C/C(=C\c1cc(Cl)ccc1[O-])CN1CCN(c2nccnc2C#N)CC1	ZINC000065395866	221211054	/nfs/dbraw/zinc/21/10/54/221211054.db2.gz	XMXMWHVOYQJOMI-GXDHUFHOSA-N	-1	3	369.856	2.933	50	30		FFEAHM
[O-]c1ccc(Br)cc1C=NNC(=S)Nc1cccnc1	ZINC000254714822	509909454	/nfs/dbraw/zinc/90/94/54/509909454.db2.gz	XWQWOGDHCLXSLG-UHFFFAOYSA-N	-1	3	351.229	2.870	50	30		FFEAHM
N#Cc1c2c(sc1[N-]C(=S)NC(=O)N1CCOCC1)CCCCC2	ZINC000012343589	845023267	/nfs/dbraw/zinc/02/32/67/845023267.db2.gz	WLMMWWKCGMPFAS-UHFFFAOYSA-N	-1	3	364.496	2.627	50	30		FFEAHM
Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000001214268	219389786	/nfs/dbraw/zinc/38/97/86/219389786.db2.gz	PBEIAQYKTXKQGF-CXUHLZMHSA-N	-1	3	369.240	2.776	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2F)S[C@@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000018209064	220228211	/nfs/dbraw/zinc/22/82/11/220228211.db2.gz	GBAJZGFOTIVNJV-GDXCHIGESA-N	-1	3	372.381	2.898	50	30		FFEAHM
C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1ccc(C#N)cc1	ZINC000032911011	506311216	/nfs/dbraw/zinc/31/12/16/506311216.db2.gz	VGLXHZXMECAVSR-NSHDSACASA-N	-1	3	350.403	2.914	50	30		FFEAHM
COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Br)c1[O-]	ZINC000004675297	506385808	/nfs/dbraw/zinc/38/58/08/506385808.db2.gz	PVQPDDHTGGJUEX-FRKPEAEDSA-N	-1	3	367.159	2.913	50	30		FFEAHM
COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2nccs2)cc1OC	ZINC000001296929	219393809	/nfs/dbraw/zinc/39/38/09/219393809.db2.gz	QDIPGMQFFOKSDB-CQSZACIVSA-N	-1	3	360.391	2.649	50	30		FFEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2nccs2)cc1OC	ZINC000001296929	219393811	/nfs/dbraw/zinc/39/38/11/219393811.db2.gz	QDIPGMQFFOKSDB-CQSZACIVSA-N	-1	3	360.391	2.649	50	30		FFEAHM
COc1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)c(OC)c1OC	ZINC000018195823	220227583	/nfs/dbraw/zinc/22/75/83/220227583.db2.gz	ZHVZDLILLLPSJM-ZDUSSCGKSA-N	-1	3	371.393	2.706	50	30		FFEAHM
COc1ccc([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)c(OC)c1OC	ZINC000018195823	220227584	/nfs/dbraw/zinc/22/75/84/220227584.db2.gz	ZHVZDLILLLPSJM-ZDUSSCGKSA-N	-1	3	371.393	2.706	50	30		FFEAHM
Cc1c(Cl)cccc1NC(=N)Nc1nc(-c2ccncc2)cc(=O)[n-]1	ZINC000022607749	220391021	/nfs/dbraw/zinc/39/10/21/220391021.db2.gz	GTSILGOQGLKTST-UHFFFAOYSA-N	-1	3	354.801	2.852	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000011977410	263369346	/nfs/dbraw/zinc/36/93/46/263369346.db2.gz	ORHXZEVGGPLJEG-UHFFFAOYSA-N	-1	3	374.444	2.862	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1nc(N)[n-]c(=O)c1[C@@H]2c1ccc(F)cc1	ZINC000009013193	506677154	/nfs/dbraw/zinc/67/71/54/506677154.db2.gz	AWLNSRPPNCYRKX-CYBMUJFWSA-N	-1	3	354.385	2.692	50	30		FFEAHM
COc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1[O-]	ZINC000096920128	521982765	/nfs/dbraw/zinc/98/27/65/521982765.db2.gz	QEZHLOUTFSWVOM-HYXAFXHYSA-N	-1	3	355.346	2.636	50	30		FFEAHM
COc1ccc(-c2cc(=O)[n-]c(NC(=N)Nc3ccccc3OC)n2)cc1	ZINC000020567570	523089503	/nfs/dbraw/zinc/08/95/03/523089503.db2.gz	NEBSKRHFENEKGL-UHFFFAOYSA-N	-1	3	365.393	2.512	50	30		FFEAHM
Cc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1	ZINC000000780025	219320939	/nfs/dbraw/zinc/32/09/39/219320939.db2.gz	DMDWLIHJUHOUNE-CQSZACIVSA-N	-1	3	357.369	2.537	50	30		FFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)n2)ccc1Cl	ZINC000012758326	220026367	/nfs/dbraw/zinc/02/63/67/220026367.db2.gz	BFKBNAICHDFWMS-UHFFFAOYSA-N	-1	3	365.842	2.760	50	30		FFEAHM
Nc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2C1=O	ZINC000013598485	220078487	/nfs/dbraw/zinc/07/84/87/220078487.db2.gz	VYQBGGOFHGLBCQ-ZDUSSCGKSA-N	-1	3	360.348	2.656	50	30		FFEAHM
COc1cccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)c2ccccc23)c1O	ZINC000018196267	220228135	/nfs/dbraw/zinc/22/81/35/220228135.db2.gz	FRNNYYGNBXSYKX-ZDUSSCGKSA-N	-1	3	361.357	2.995	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2ccccc2s1	ZINC000048234545	221001849	/nfs/dbraw/zinc/00/18/49/221001849.db2.gz	BQRWXZRXVBNSKE-UHFFFAOYSA-N	-1	3	366.446	2.722	50	30		FFEAHM
COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2cccnc2)c(OC)c1	ZINC000005668972	506452329	/nfs/dbraw/zinc/45/23/29/506452329.db2.gz	KFDDKGASDIPLEI-QGZVFWFLSA-N	-1	3	354.362	2.588	50	30		FFEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2cccnc2)c(OC)c1	ZINC000005668972	506452335	/nfs/dbraw/zinc/45/23/35/506452335.db2.gz	KFDDKGASDIPLEI-QGZVFWFLSA-N	-1	3	354.362	2.588	50	30		FFEAHM
COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000007025797	506526084	/nfs/dbraw/zinc/52/60/84/506526084.db2.gz	IUMVWGQUVWNCKP-GFCCVEGCSA-N	-1	3	374.418	2.589	50	30		FFEAHM
COc1cc(OC)c([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)cc1OC	ZINC000012348480	506853459	/nfs/dbraw/zinc/85/34/59/506853459.db2.gz	LKQPLNWTBFDSKP-HNNXBMFYSA-N	-1	3	371.393	2.706	50	30		FFEAHM
COc1cc(OC)c([C@@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)cc1OC	ZINC000012348480	506853462	/nfs/dbraw/zinc/85/34/62/506853462.db2.gz	LKQPLNWTBFDSKP-HNNXBMFYSA-N	-1	3	371.393	2.706	50	30		FFEAHM
COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc(C)c2[N+](=O)[O-])c1	ZINC000103503657	526198553	/nfs/dbraw/zinc/19/85/53/526198553.db2.gz	QEJVVSKKBQHTRA-OAHLLOKOSA-N	-1	3	353.334	2.873	50	30		FFEAHM
C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1[O-]	ZINC000009235634	203852374	/nfs/dbraw/zinc/85/23/74/203852374.db2.gz	IQGQEFUVDWKLDG-UHFFFAOYSA-N	-1	3	358.467	2.941	50	30		FFEAHM
C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1	ZINC000058193466	205257615	/nfs/dbraw/zinc/25/76/15/205257615.db2.gz	IHEBIQLEANXKPC-LLVKDONJSA-N	-1	3	372.381	2.787	50	30		FFEAHM
Cc1ccc([C@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1C	ZINC000018201174	220228283	/nfs/dbraw/zinc/22/82/83/220228283.db2.gz	VCHMRISGIZHYJM-HNNXBMFYSA-N	-1	3	371.396	2.845	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)CNC(=O)c2cccc(C)c2)n[n-]1	ZINC000052778797	506249371	/nfs/dbraw/zinc/24/93/71/506249371.db2.gz	COFWVOOUJGMNOL-UHFFFAOYSA-N	-1	3	365.393	2.807	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCOCc1ccccc1	ZINC000012622252	506885454	/nfs/dbraw/zinc/88/54/54/506885454.db2.gz	IAUZIHWABRQELC-UHFFFAOYSA-N	-1	3	367.449	2.519	50	30		FFEAHM
N#Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1	ZINC000014137172	506970312	/nfs/dbraw/zinc/97/03/12/506970312.db2.gz	UCUUGHXBUNVYFP-UHFFFAOYSA-N	-1	3	361.492	2.563	50	30		FFEAHM
C=CCOc1ccc(Cl)cc1[C@@H]1SC([N-]C(C)=O)=NN1C(C)=O	ZINC000020896093	507236730	/nfs/dbraw/zinc/23/67/30/507236730.db2.gz	HQKVKWJTIYEYBN-AWEZNQCLSA-N	-1	3	353.831	2.906	50	30		FFEAHM
COC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)/N=C/c1ccccc1[O-]	ZINC000001191858	523594516	/nfs/dbraw/zinc/59/45/16/523594516.db2.gz	RYKDXHVZKCKEAY-HIPSJFSSSA-N	-1	3	358.350	2.512	50	30		FFEAHM
COc1ccc(OC)c(S(=O)(=O)[N-]/N=C(/C)c2c[nH]c3ccccc23)c1	ZINC000032578361	524872093	/nfs/dbraw/zinc/87/20/93/524872093.db2.gz	YLOKFLJYCSAEGU-NDENLUEZSA-N	-1	3	373.434	2.888	50	30		FFEAHM
Cc1c(C([O-])=C(C#N)c2ccc(F)cn2)cnn1CCO[C@@H]1CCCCO1	ZINC000131145001	525669088	/nfs/dbraw/zinc/66/90/88/525669088.db2.gz	AQPHPVRLHRLJNA-MAUKXSAKSA-N	-1	3	372.400	2.759	50	30		FFEAHM
Cc1c(C([O-])=C(C#N)c2ccc(F)cn2)cnn1CCO[C@H]1CCCCO1	ZINC000131145204	525670753	/nfs/dbraw/zinc/67/07/53/525670753.db2.gz	AQPHPVRLHRLJNA-YJBOKZPZSA-N	-1	3	372.400	2.759	50	30		FFEAHM
CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000012561202	136151572	/nfs/dbraw/zinc/15/15/72/136151572.db2.gz	HHMKWZCDBSDZBP-UHFFFAOYSA-N	-1	3	370.478	2.501	50	30		FFEAHM
Cn1nccc1C(=O)NC(=S)[N-]c1sc2c(c1C#N)CCCCC2	ZINC000000659013	506225926	/nfs/dbraw/zinc/22/59/26/506225926.db2.gz	OCJSWRIVXRQFOB-UHFFFAOYSA-N	-1	3	359.480	2.749	50	30		FFEAHM
Cc1ccc(-c2csc3[n-]c(Cn4cnc(C#N)n4)nc(=O)c23)s1	ZINC000014144061	506970684	/nfs/dbraw/zinc/97/06/84/506970684.db2.gz	DYAJNCNLBPWQRL-UHFFFAOYSA-N	-1	3	354.420	2.533	50	30		FFEAHM
Cc1nnc(=O)[n-]c1NN=Cc1ccccc1OCc1ccccc1F	ZINC000004422697	526323872	/nfs/dbraw/zinc/32/38/72/526323872.db2.gz	ZBOZGPSPQMUCCS-KEBDBYFISA-N	-1	3	353.357	2.637	50	30		FFEAHM
O=C1[N-]/C(=N/N=C/c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000004826741	204167201	/nfs/dbraw/zinc/16/72/01/204167201.db2.gz	YDODFSWGFLYADU-CLXYIWAZSA-N	-1	3	354.391	2.759	50	30		FFEAHM
O=C([O-])CC1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O	ZINC000005025977	204185796	/nfs/dbraw/zinc/18/57/96/204185796.db2.gz	QLQPMTNUNYPAMW-QKKFEWQMSA-N	-1	3	361.354	2.732	50	30		FFEAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000040071134	205052741	/nfs/dbraw/zinc/05/27/41/205052741.db2.gz	CKRKUWFDONMRQG-ZETCQYMHSA-N	-1	3	357.267	2.604	50	30		FFEAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000040071134	205052746	/nfs/dbraw/zinc/05/27/46/205052746.db2.gz	CKRKUWFDONMRQG-ZETCQYMHSA-N	-1	3	357.267	2.604	50	30		FFEAHM
O=C1[N-]/C(=N/N=C\c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000016771396	206320107	/nfs/dbraw/zinc/32/01/07/206320107.db2.gz	YDODFSWGFLYADU-JQFNYASXSA-N	-1	3	354.391	2.759	50	30		FFEAHM
COc1ccc(-c2cc(=O)[n-]c(NC(=N)Nc3ccc(F)cc3)n2)cc1	ZINC000018222494	263373400	/nfs/dbraw/zinc/37/34/00/263373400.db2.gz	YUFLIJOAKNUTJJ-UHFFFAOYSA-N	-1	3	353.357	2.643	50	30		FFEAHM
COc1cc(C=NNc2nc([O-])c(Cc3ccccc3)s2)ccc1O	ZINC000012843714	506907672	/nfs/dbraw/zinc/90/76/72/506907672.db2.gz	CSBPGIJGWXMQNB-ZVCOJXFSSA-N	-1	3	355.419	2.565	50	30		FFEAHM
N#CC1=C([O-])NC(Nc2ccccc2)=NC12CCN(Cc1ccccc1)CC2	ZINC000016626337	507100573	/nfs/dbraw/zinc/10/05/73/507100573.db2.gz	OENRGXCESPRYLW-IBGZPJMESA-N	-1	3	373.460	2.759	50	30		FFEAHM
O=C1[N-]/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@H]1Cc1ccccc1	ZINC000018209211	507144068	/nfs/dbraw/zinc/14/40/68/507144068.db2.gz	VGHUZGIDDKPWLU-LZNAANCOSA-N	-1	3	354.391	2.759	50	30		FFEAHM
O=c1[n-]c(=O)c(N=Cc2cc(Br)c(Br)o2)c[nH]1	ZINC000606368173	521039371	/nfs/dbraw/zinc/03/93/71/521039371.db2.gz	FBEQAHKAPCPCOP-UHFFFAOYSA-N	-1	3	362.965	2.756	50	30		FFEAHM
COc1cc(C=NNc2nc([O-])cs2)ccc1OCc1ccccc1	ZINC000017242275	521990549	/nfs/dbraw/zinc/99/05/49/521990549.db2.gz	TVSWOCKDVQOPDU-VXLYETTFSA-N	-1	3	355.419	2.827	50	30		FFEAHM
Cc1nc(N2CCCN(Cc3cccs3)CC2)c(C#N)cc1C(=O)[O-]	ZINC001529111970	1062169083	/nfs/dbraw/zinc/16/90/83/1062169083.db2.gz	CWTRWQXSVVJZFR-UHFFFAOYSA-N	-1	3	356.451	2.734	50	30		FFEAHM
O=C([O-])CC1S/C(=N\C(=O)c2ccccc2)N(c2ccccc2)C1=O	ZINC000016673002	206319823	/nfs/dbraw/zinc/31/98/23/206319823.db2.gz	TVVZHFNYVXWMMI-ORIGZDJFSA-N	-1	3	354.387	2.806	50	30		FFEAHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1	ZINC000002870463	506298488	/nfs/dbraw/zinc/29/84/88/506298488.db2.gz	PWMWQKBMLYYMEQ-UHFFFAOYSA-N	-1	3	374.462	2.785	50	30		FFEAHM
COc1cccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1OC	ZINC000096402506	508214799	/nfs/dbraw/zinc/21/47/99/508214799.db2.gz	MLXOSSSZUHYNKL-XFXZXTDPSA-N	-1	3	361.419	2.971	50	30		FFEAHM
CC(=NN=C1SC(CC(=O)[O-])C(=O)N1c1ccccc1)c1ccco1	ZINC000252619457	509854295	/nfs/dbraw/zinc/85/42/95/509854295.db2.gz	LPWZTQQUBFICOZ-AWEZNQCLSA-N	-1	3	357.391	2.983	50	30		FFEAHM
CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](/N=C/c1ccccc1[O-])C(C)C	ZINC000526058551	517318216	/nfs/dbraw/zinc/31/82/16/517318216.db2.gz	DULOQBOELOOGIJ-DYOPXDPWSA-N	-1	3	373.497	2.743	50	30		FFEAHM
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1nnc(-c2ccccn2)[n-]1	ZINC000040154819	506476087	/nfs/dbraw/zinc/47/60/87/506476087.db2.gz	MBLGCVVWYJYSNZ-UHFFFAOYSA-N	-1	3	362.393	2.824	50	30		FFEAHM
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1nc(-c2ccccn2)n[n-]1	ZINC000040154819	506476093	/nfs/dbraw/zinc/47/60/93/506476093.db2.gz	MBLGCVVWYJYSNZ-UHFFFAOYSA-N	-1	3	362.393	2.824	50	30		FFEAHM
O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1n[n-]c(-c2ccccn2)n1	ZINC000040154819	506476099	/nfs/dbraw/zinc/47/60/99/506476099.db2.gz	MBLGCVVWYJYSNZ-UHFFFAOYSA-N	-1	3	362.393	2.824	50	30		FFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1	ZINC000101294796	508241100	/nfs/dbraw/zinc/24/11/00/508241100.db2.gz	YHJBVLSWZJUAOT-WMZOPIPTSA-N	-1	3	366.348	2.683	50	30		FFEAHM
COc1ccc(/C=C2\SC(=NN=Cc3ccccc3[O-])NC2=O)cc1	ZINC000252632612	509854510	/nfs/dbraw/zinc/85/45/10/509854510.db2.gz	VVBRNCOBMAIGNK-AMPFGVNUSA-N	-1	3	353.403	2.995	50	30		FFEAHM
COc1cc(C=Nc2c(C)[nH]c(=O)[n-]c2=O)ccc1OCc1ccccc1	ZINC000032099598	521999644	/nfs/dbraw/zinc/99/96/44/521999644.db2.gz	VUNFQQBKNCZBAF-SRZZPIQSSA-N	-1	3	365.389	2.710	50	30		FFEAHM
COc1ccc(NC(=N)Nc2nc(-c3ccccc3)cc(=O)[n-]2)c(OC)c1	ZINC000020028220	524379826	/nfs/dbraw/zinc/37/98/26/524379826.db2.gz	ZIFMCZAJVSTTRO-UHFFFAOYSA-N	-1	3	365.393	2.512	50	30		FFEAHM
Cc1c(C([O-])=C(C#N)c2ccc(F)cn2)cnn1CCO[C@@H]1CCCCO1	ZINC000131145424	525670699	/nfs/dbraw/zinc/67/06/99/525670699.db2.gz	AQPHPVRLHRLJNA-CRAIPNDOSA-N	-1	3	372.400	2.759	50	30		FFEAHM
[O-]c1ccc(Br)cc1C=NN1CCN(c2ccccn2)CC1	ZINC000245294776	526340897	/nfs/dbraw/zinc/34/08/97/526340897.db2.gz	AEYANVWFSYEDQT-UHFFFAOYSA-N	-1	3	361.243	2.706	50	30		FFEAHM
Cc1ncc(CO)c(/C=N/N=C/c2cc(Br)ccc2O)c1[O-]	ZINC000003001217	204073432	/nfs/dbraw/zinc/07/34/32/204073432.db2.gz	FHZUJDDQONILOU-JRGWAENISA-N	-1	3	364.199	2.509	50	30		FFEAHM
Cc1ncc(CO)c(/C=N/N=C/c2cc(Br)ccc2[O-])c1O	ZINC000003001217	204073437	/nfs/dbraw/zinc/07/34/37/204073437.db2.gz	FHZUJDDQONILOU-JRGWAENISA-N	-1	3	364.199	2.509	50	30		FFEAHM
COc1cc([C@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc(OC)c1OC	ZINC000012389025	206290363	/nfs/dbraw/zinc/29/03/63/206290363.db2.gz	HPJOUHRNKPTSQK-OAHLLOKOSA-N	-1	3	372.381	2.681	50	30		FFEAHM
CC(=NN=C1SC(CC(=O)[O-])C(=O)N1c1ccccc1)c1ccco1	ZINC000252619458	509854533	/nfs/dbraw/zinc/85/45/33/509854533.db2.gz	LPWZTQQUBFICOZ-CQSZACIVSA-N	-1	3	357.391	2.983	50	30		FFEAHM
O=C(CSc1nc(N=NC2CCCC2)n[n-]1)Nc1ccc2c(c1)OCO2	ZINC000020608315	527049128	/nfs/dbraw/zinc/04/91/28/527049128.db2.gz	SCLCYIABWLEJNG-UHFFFAOYSA-N	-1	3	374.426	2.606	50	30		FFEAHM
O=C(CSc1nnc(N=NC2CCCC2)[n-]1)Nc1ccc2c(c1)OCO2	ZINC000020608315	527049131	/nfs/dbraw/zinc/04/91/31/527049131.db2.gz	SCLCYIABWLEJNG-UHFFFAOYSA-N	-1	3	374.426	2.606	50	30		FFEAHM
O=C(CSc1n[n-]c(N=NC2CCCC2)n1)Nc1ccc2c(c1)OCO2	ZINC000020608315	527049137	/nfs/dbraw/zinc/04/91/37/527049137.db2.gz	SCLCYIABWLEJNG-UHFFFAOYSA-N	-1	3	374.426	2.606	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(F)cc1F	ZINC000008981986	204350968	/nfs/dbraw/zinc/35/09/68/204350968.db2.gz	HWFWGCDLXHLVLQ-GFCCVEGCSA-N	-1	3	359.376	2.952	50	30		FFEAHM
CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1	ZINC000040153400	205060505	/nfs/dbraw/zinc/06/05/05/205060505.db2.gz	FBPFCWWYBHUXRQ-SECBINFHSA-N	-1	3	362.356	2.585	50	30		FFEAHM
CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1	ZINC000040153400	205060506	/nfs/dbraw/zinc/06/05/06/205060506.db2.gz	FBPFCWWYBHUXRQ-SECBINFHSA-N	-1	3	362.356	2.585	50	30		FFEAHM
COc1ccc([C@@H]2[N-]c3nonc3N=C3CCCC(=O)C32)c(OC)c1OC	ZINC000012390782	206289676	/nfs/dbraw/zinc/28/96/76/206289676.db2.gz	FBKCXOWJFDVFPC-AWEZNQCLSA-N	-1	3	372.381	2.681	50	30		FFEAHM
O=C(Oc1ccc(C=NNc2nc([O-])cs2)cc1)c1ccc(F)cc1	ZINC000004613847	263334935	/nfs/dbraw/zinc/33/49/35/263334935.db2.gz	XCFFCLNTAOIJNN-DJKKODMXSA-N	-1	3	357.366	2.598	50	30		FFEAHM
COc1ccc(Cl)cc1-n1cc([O-])c(-c2nc3ccccc3[nH]2)c1N	ZINC000005012163	506413862	/nfs/dbraw/zinc/41/38/62/506413862.db2.gz	NNUBDESRRZNSTR-UHFFFAOYSA-N	-1	3	354.797	2.942	50	30		FFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cn2)ccc1Cl	ZINC000024968990	507452669	/nfs/dbraw/zinc/45/26/69/507452669.db2.gz	QTIYKINHJXQGOO-UHFFFAOYSA-N	-1	3	365.842	2.760	50	30		FFEAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCN(C(=O)c2ccoc2)CC1	ZINC000026251555	507570196	/nfs/dbraw/zinc/57/01/96/507570196.db2.gz	ICZXYZUYHKSJOM-UHFFFAOYSA-N	-1	3	357.292	2.557	50	30		FFEAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCN(C(=O)c2ccoc2)CC1	ZINC000026251555	507570198	/nfs/dbraw/zinc/57/01/98/507570198.db2.gz	ICZXYZUYHKSJOM-UHFFFAOYSA-N	-1	3	357.292	2.557	50	30		FFEAHM
COC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)/N=C/c1ccccc1[O-]	ZINC000001191853	523910184	/nfs/dbraw/zinc/91/01/84/523910184.db2.gz	RYKDXHVZKCKEAY-YRIIZNAFSA-N	-1	3	358.350	2.512	50	30		FFEAHM
O=C(C=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000109481866	980443551	/nfs/dbraw/zinc/44/35/51/980443551.db2.gz	YFDFROSCOORKAJ-OVCLIPMQSA-N	-1	3	359.254	2.692	50	30		FFEAHM
COc1cc(C([O-])=Cc2nc3cc4[nH]c(=O)[nH]c4cc3[nH]c2=O)ccc1C	ZINC000824592362	999239469	/nfs/dbraw/zinc/23/94/69/999239469.db2.gz	OGPFTPIXGKKNTD-OVCLIPMQSA-N	-1	3	364.361	2.716	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2cccc([N+](=O)[O-])c2)S[C@@H]1Cc1ccccc1	ZINC000004791592	204164565	/nfs/dbraw/zinc/16/45/65/204164565.db2.gz	VGHUZGIDDKPWLU-CLXYIWAZSA-N	-1	3	354.391	2.759	50	30		FFEAHM
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2cccnc2)c(OC)c1	ZINC000005669032	204219341	/nfs/dbraw/zinc/21/93/41/204219341.db2.gz	KFDDKGASDIPLEI-KRWDZBQOSA-N	-1	3	354.362	2.588	50	30		FFEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2cccnc2)c(OC)c1	ZINC000005669032	204219345	/nfs/dbraw/zinc/21/93/45/204219345.db2.gz	KFDDKGASDIPLEI-KRWDZBQOSA-N	-1	3	354.362	2.588	50	30		FFEAHM
O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000040071133	205052980	/nfs/dbraw/zinc/05/29/80/205052980.db2.gz	CKRKUWFDONMRQG-SSDOTTSWSA-N	-1	3	357.267	2.604	50	30		FFEAHM
O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000040071133	205052984	/nfs/dbraw/zinc/05/29/84/205052984.db2.gz	CKRKUWFDONMRQG-SSDOTTSWSA-N	-1	3	357.267	2.604	50	30		FFEAHM
N#Cc1cccnc1N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1	ZINC000065617282	506334327	/nfs/dbraw/zinc/33/43/27/506334327.db2.gz	PCHGMLFZYWSCPT-UHFFFAOYSA-N	-1	3	362.433	2.500	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)CCCC2	ZINC000012979013	506919459	/nfs/dbraw/zinc/91/94/59/506919459.db2.gz	LPCXWHFATUSTCF-UHFFFAOYSA-N	-1	3	356.451	2.770	50	30		FFEAHM
CCOC(=O)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc([O-])cc3OC)c2C1	ZINC000071776351	507716147	/nfs/dbraw/zinc/71/61/47/507716147.db2.gz	RDKMOUHTYDJESN-NSHDSACASA-N	-1	3	367.405	2.585	50	30		FFEAHM
Cc1nnc(=O)[n-]c1NN=Cc1cccc(OCc2ccccc2F)c1	ZINC000004422788	526323052	/nfs/dbraw/zinc/32/30/52/526323052.db2.gz	NYNVXYPROZKXGD-KEBDBYFISA-N	-1	3	353.357	2.637	50	30		FFEAHM
O=C([O-])CC1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O	ZINC000005025978	207073434	/nfs/dbraw/zinc/07/34/34/207073434.db2.gz	QLQPMTNUNYPAMW-QAWGQHKHSA-N	-1	3	361.354	2.732	50	30		FFEAHM
O=C(Nc1ccccc1)[C@H]1CC(=O)[N-]/C(=N/N=C/c2ccccc2)S1	ZINC000017014774	207606384	/nfs/dbraw/zinc/60/63/84/207606384.db2.gz	UQRRATIWXFGXRQ-IYSPOMMRSA-N	-1	3	352.419	2.637	50	30		FFEAHM
CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(C)CC1	ZINC000036353429	208158310	/nfs/dbraw/zinc/15/83/10/208158310.db2.gz	YAUKWCAFVXQPRX-KRWDZBQOSA-N	-1	3	358.442	2.785	50	30		FFEAHM
CCOC(=O)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc([O-])cc3OC)c2C1	ZINC000071776350	208781264	/nfs/dbraw/zinc/78/12/64/208781264.db2.gz	RDKMOUHTYDJESN-LLVKDONJSA-N	-1	3	367.405	2.585	50	30		FFEAHM
COc1cc(/C=N/n2c(C)nnc2-n2nc(C)cc2C)c(Cl)cc1[O-]	ZINC000001121144	263142834	/nfs/dbraw/zinc/14/28/34/263142834.db2.gz	QUXYLPRYXRRZOM-QGMBQPNBSA-N	-1	3	360.805	2.639	50	30		FFEAHM
N=C(NN=Cc1cc(Cl)ccc1[O-])NN=Cc1cc(Cl)ccc1O	ZINC000001695742	506265721	/nfs/dbraw/zinc/26/57/21/506265721.db2.gz	IGWAWNDBEPRQQY-OKXCLTPOSA-N	-1	3	366.208	2.887	50	30		FFEAHM
C=C(Cl)COC(=O)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(C)C	ZINC000032667934	506276870	/nfs/dbraw/zinc/27/68/70/506276870.db2.gz	FQJREPAHCAEGMF-BOLDSZDNSA-N	-1	3	357.859	2.897	50	30		FFEAHM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)cc1	ZINC000003419008	506328968	/nfs/dbraw/zinc/32/89/68/506328968.db2.gz	GNMGVVQEWLLATF-UHFFFAOYSA-N	-1	3	369.402	2.807	50	30		FFEAHM
CC(=O)c1sc(N=NCc2cc(Br)ccc2[O-])nc1C	ZINC000006200933	506471689	/nfs/dbraw/zinc/47/16/89/506471689.db2.gz	IULZEORUFRMGIW-GIDUJCDVSA-N	-1	3	354.229	2.990	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000012699022	506889922	/nfs/dbraw/zinc/88/99/22/506889922.db2.gz	OHGIEJPWGFZOAT-UHFFFAOYSA-N	-1	3	353.466	2.881	50	30		FFEAHM
N#Cc1cc2c(ccn(CCc3cccc(C(F)(F)F)c3)c2=O)[n-]c1=O	ZINC000067908602	507047797	/nfs/dbraw/zinc/04/77/97/507047797.db2.gz	IGAZHZMMVWTKJC-UHFFFAOYSA-N	-1	3	359.307	2.823	50	30		FFEAHM
CCOc1cc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CCC3)ccc1O	ZINC000018180696	507143247	/nfs/dbraw/zinc/14/32/47/507143247.db2.gz	NCEUEJHVLLZFRA-AWEZNQCLSA-N	-1	3	369.377	2.557	50	30		FFEAHM
C=CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccncc1	ZINC000004937607	519226073	/nfs/dbraw/zinc/22/60/73/519226073.db2.gz	GAZKHWOGEDGOGY-UHFFFAOYSA-N	-1	3	367.434	2.963	50	30		FFEAHM
CCNC(=O)COc1ccc(/C=C/C(=O)c2cccc([O-])c2)cc1OC	ZINC000008322465	521738462	/nfs/dbraw/zinc/73/84/62/521738462.db2.gz	DCGMIQJEXPKQRF-VQHVLOKHSA-N	-1	3	355.390	2.812	50	30		FFEAHM
CCc1ccc(N2CC(=O)C(c3nc4ccc(C)cc4c(=O)[n-]3)=C2N)cc1	ZINC000001792385	209392201	/nfs/dbraw/zinc/39/22/01/209392201.db2.gz	HUJSDFOAQSKMPF-UHFFFAOYSA-N	-1	3	360.417	2.511	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@@H]2c1ccc(Cl)cc1	ZINC000004201639	207008219	/nfs/dbraw/zinc/00/82/19/207008219.db2.gz	AZEKVQYZYVLLHG-CYBMUJFWSA-N	-1	3	371.824	2.917	50	30		FFEAHM
C#CCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O	ZINC000001147139	506252008	/nfs/dbraw/zinc/25/20/08/506252008.db2.gz	KTOKWBXTZQXDSB-YRNVUSSQSA-N	-1	3	368.208	2.833	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCSCc1ccccc1	ZINC000014247115	506981129	/nfs/dbraw/zinc/98/11/29/506981129.db2.gz	TZUJUENNLWTORF-UHFFFAOYSA-N	-1	3	369.490	2.846	50	30		FFEAHM
N#Cc1cc2c(ccn(CCc3ccccc3C(F)(F)F)c2=O)[n-]c1=O	ZINC000067804425	507012586	/nfs/dbraw/zinc/01/25/86/507012586.db2.gz	BAZWZAUDUXSFEA-UHFFFAOYSA-N	-1	3	359.307	2.823	50	30		FFEAHM
Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1ncn(Cc2ccccn2)n1	ZINC000058295472	507401928	/nfs/dbraw/zinc/40/19/28/507401928.db2.gz	LYXQNETUQRUVKD-UHFFFAOYSA-N	-1	3	373.376	2.538	50	30		FFEAHM
COc1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc(OC)c1[O-]	ZINC000071757323	507711931	/nfs/dbraw/zinc/71/19/31/507711931.db2.gz	CMVVXTRROCUKNW-UHFFFAOYSA-N	-1	3	350.378	2.931	50	30		FFEAHM
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)O/N=C\c1ccccc1[O-]	ZINC000008382523	518941123	/nfs/dbraw/zinc/94/11/23/518941123.db2.gz	FBJUIDUTVRSKBK-CRRPLPBISA-N	-1	3	367.405	2.686	50	30		FFEAHM
CCNC(=O)COc1ccc(/C=C\C(=O)c2cccc([O-])c2)cc1OC	ZINC000098053807	521738434	/nfs/dbraw/zinc/73/84/34/521738434.db2.gz	DCGMIQJEXPKQRF-CLFYSBASSA-N	-1	3	355.390	2.812	50	30		FFEAHM
CC(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC#N)c(Cl)cc1Cl	ZINC000006762282	207162195	/nfs/dbraw/zinc/16/21/95/207162195.db2.gz	IXELMFJGJVJEHY-UHFFFAOYSA-N	-1	3	365.238	2.608	50	30		FFEAHM
N#Cc1c(NC(=O)COC(=O)c2ccc([O-])cc2)sc2c1CCCC2	ZINC000003246719	506315196	/nfs/dbraw/zinc/31/51/96/506315196.db2.gz	UHMOLAPVBDXCBP-UHFFFAOYSA-N	-1	3	356.403	3.000	50	30		FFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncccc2C)ccc1Cl	ZINC000024924873	507450070	/nfs/dbraw/zinc/45/00/70/507450070.db2.gz	SQRVBWKWRMSILL-UHFFFAOYSA-N	-1	3	365.842	2.760	50	30		FFEAHM
C=CCC1(OCc2ccccc2)CCN(C(=O)c2cnc(C)[n-]c2=O)CC1	ZINC000096162887	508209775	/nfs/dbraw/zinc/20/97/75/508209775.db2.gz	BLUWMNUQLMPEJB-UHFFFAOYSA-N	-1	3	367.449	2.846	50	30		FFEAHM
COc1cccc(C=NNc2[n-]c(=O)nnc2C)c1OCc1ccccc1	ZINC000004422759	525772736	/nfs/dbraw/zinc/77/27/36/525772736.db2.gz	YILWOMVMQZXESR-RGVLZGJSSA-N	-1	3	365.393	2.507	50	30		FFEAHM
C=CCNC(=S)N=NCc1cc(Br)c([O-])c(OCC)c1	ZINC000017953171	220219793	/nfs/dbraw/zinc/21/97/93/220219793.db2.gz	KMRWZAREMKOCCO-LZYBPNLTSA-N	-1	3	358.261	2.949	50	30		FFEAHM
CCC(=O)N1CCc2cc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)ccc21	ZINC000051266457	507754961	/nfs/dbraw/zinc/75/49/61/507754961.db2.gz	IEWHAWRWLNKCLL-UHFFFAOYSA-N	-1	3	353.304	2.759	50	30		FFEAHM
CCC(=O)N1CCc2cc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)ccc21	ZINC000051266457	507754966	/nfs/dbraw/zinc/75/49/66/507754966.db2.gz	IEWHAWRWLNKCLL-UHFFFAOYSA-N	-1	3	353.304	2.759	50	30		FFEAHM
CC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC(O)C1	ZINC000220170268	509296131	/nfs/dbraw/zinc/29/61/31/509296131.db2.gz	AENKFYLQXGNHMG-SSDMNJCBSA-N	-1	3	364.492	2.909	50	30		FFEAHM
CN1c2ccccc2/C(=C2/S/C(=N/c3cccc([O-])c3)NC2=O)C1=O	ZINC000006639340	207150428	/nfs/dbraw/zinc/15/04/28/207150428.db2.gz	TYLDDCXJVFQLCC-PFONDFGASA-N	-1	3	351.387	2.630	50	30		FFEAHM
COc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c([O-])c1	ZINC000047139379	208373238	/nfs/dbraw/zinc/37/32/38/208373238.db2.gz	GUNRBEFEWAFWFD-UHFFFAOYSA-N	-1	3	351.406	2.625	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1	ZINC000010288244	263364504	/nfs/dbraw/zinc/36/45/04/263364504.db2.gz	FVKMFXJNYRBNBO-LBPRGKRZSA-N	-1	3	355.360	2.597	50	30		FFEAHM
Cc1c(C#N)c([N-]C(=O)c2cccc([N+](=O)[O-])c2)sc1C(=O)N(C)C	ZINC000000669045	506226603	/nfs/dbraw/zinc/22/66/03/506226603.db2.gz	FCURHHJGEFBJEX-UHFFFAOYSA-N	-1	3	358.379	2.791	50	30		FFEAHM
CC(C)c1ccc([C@H]2c3c(=O)[n-]c(=O)[nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018199481	507145111	/nfs/dbraw/zinc/14/51/11/507145111.db2.gz	RPJQTESELDDTQF-OAHLLOKOSA-N	-1	3	351.406	2.751	50	30		FFEAHM
COc1cc(C=NNc2[n-]c(=O)nnc2C)ccc1OCc1ccccc1	ZINC000003946854	521992771	/nfs/dbraw/zinc/99/27/71/521992771.db2.gz	YAQUKSFKJRCXRH-RGVLZGJSSA-N	-1	3	365.393	2.507	50	30		FFEAHM
Cn1ncc(/N=C/c2c([O-])ccc3ccccc32)c1C(=O)N1CCOCC1	ZINC000100693784	209216024	/nfs/dbraw/zinc/21/60/24/209216024.db2.gz	SNYOUCFSFAASPB-CIAFOILYSA-N	-1	3	364.405	2.502	50	30		FFEAHM
Cc1c(C)c(C)c(S(=O)(=O)N/N=C\c2cccc(O)c2[O-])c(C)c1C	ZINC000032575642	208032556	/nfs/dbraw/zinc/03/25/56/208032556.db2.gz	CHGQBIFOUJHZMF-OCKHKDLRSA-N	-1	3	362.451	2.952	50	30		FFEAHM
Cc1cc(S(=O)(=O)[N-]CC#CCN2CCCC2)c(Cl)cc1Cl	ZINC000075164726	208194807	/nfs/dbraw/zinc/19/48/07/208194807.db2.gz	HNFOUTFVBQEZOK-UHFFFAOYSA-N	-1	3	361.294	2.679	50	30		FFEAHM
Cc1cccc(NC(=O)[C@@H]2CC(=O)[N-]/C(=N/N=C/c3ccco3)S2)c1	ZINC000016977159	507111017	/nfs/dbraw/zinc/11/10/17/507111017.db2.gz	PIYYFPYNWFVVPO-XKYMITNMSA-N	-1	3	356.407	2.538	50	30		FFEAHM
C=CCOc1ccc(Cl)cc1[C@H]1SC([N-]C(C)=O)=NN1C(C)=O	ZINC000020896090	507237918	/nfs/dbraw/zinc/23/79/18/507237918.db2.gz	HQKVKWJTIYEYBN-CQSZACIVSA-N	-1	3	353.831	2.906	50	30		FFEAHM
C=CCN1C[C@@H]2CN(C(=O)c3cc4ccccc4s3)C[C@]2(C(=O)[O-])C1	ZINC000096180119	508209426	/nfs/dbraw/zinc/20/94/26/508209426.db2.gz	AXLIKFSQCMVGAA-AUUYWEPGSA-N	-1	3	356.447	2.546	50	30		FFEAHM
CC(=NCCO)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000104077759	508327583	/nfs/dbraw/zinc/32/75/83/508327583.db2.gz	BPYDVXVKPVFWKE-UFWORHAWSA-N	-1	3	370.356	2.595	50	30		FFEAHM
CC(C)(C#N)c1ccc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)cc1	ZINC000095352716	535005624	/nfs/dbraw/zinc/00/56/24/535005624.db2.gz	ZXCAKONSZDDHSL-IBGZPJMESA-N	-1	3	364.449	2.831	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@@H]2c1cccc(Cl)c1	ZINC000004487892	207021879	/nfs/dbraw/zinc/02/18/79/207021879.db2.gz	HAWAXKNCHUXFON-CYBMUJFWSA-N	-1	3	371.824	2.917	50	30		FFEAHM
CNC(=O)N([O-])[C@H]1N(/N=C/c2ccccc2F)C(=S)SC1(C)C	ZINC000004795128	207049956	/nfs/dbraw/zinc/04/99/56/207049956.db2.gz	FQFXYXRWBLMMHW-SXGUVYOMSA-N	-1	3	356.448	2.629	50	30		FFEAHM
N#Cc1ccccc1[N-]C(=O)c1nnn(-c2ccc(OC(F)(F)F)cc2)n1	ZINC000077100448	208196609	/nfs/dbraw/zinc/19/66/09/208196609.db2.gz	AUPVRPKUKHYOAZ-UHFFFAOYSA-N	-1	3	374.282	2.685	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(F)(F)F)c[nH]1	ZINC000084005438	508262911	/nfs/dbraw/zinc/26/29/11/508262911.db2.gz	YVJGWORUDGDUKR-UHFFFAOYSA-N	-1	3	353.304	2.826	50	30		FFEAHM
CN=c1scc(-c2ccccc2F)n1N=Cc1ccc(O)c([O-])c1O	ZINC000254496618	509907744	/nfs/dbraw/zinc/90/77/44/509907744.db2.gz	DVLVRLUCOKAWQB-UHFFFAOYSA-N	-1	3	359.382	2.885	50	30		FFEAHM
C=CCN(Cc1cccc(OCC)c1)C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000067872037	518783618	/nfs/dbraw/zinc/78/36/18/518783618.db2.gz	WUCGRQMOQKAZBH-UHFFFAOYSA-N	-1	3	355.438	2.543	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n[n-]1	ZINC000052778942	506249115	/nfs/dbraw/zinc/24/91/15/506249115.db2.gz	YLSLKNOYHJLVBU-HNNXBMFYSA-N	-1	3	364.361	2.850	50	30		FFEAHM
O=C1c2ccccc2C(=O)N1CSC(=S)NN=Cc1ccccc1[O-]	ZINC000252632272	509855208	/nfs/dbraw/zinc/85/52/08/509855208.db2.gz	VSGKXTCJKPSQMT-UHFFFAOYSA-N	-1	3	371.443	2.588	50	30		FFEAHM
COc1ccc([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2nccs2)c(OC)c1	ZINC000001219443	210337335	/nfs/dbraw/zinc/33/73/35/210337335.db2.gz	YPJJOPVPEPWNBW-CQSZACIVSA-N	-1	3	360.391	2.649	50	30		FFEAHM
COc1ccc([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2nccs2)c(OC)c1	ZINC000001219443	210337338	/nfs/dbraw/zinc/33/73/38/210337338.db2.gz	YPJJOPVPEPWNBW-CQSZACIVSA-N	-1	3	360.391	2.649	50	30		FFEAHM
NS(=O)(=O)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000001107486	210318137	/nfs/dbraw/zinc/31/81/37/210318137.db2.gz	YLZCXFNEZYMLLJ-LZYBPNLTSA-N	-1	3	355.213	2.553	50	30		FFEAHM
CSc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(C#N)n1Cc1ccco1	ZINC000036047220	506394807	/nfs/dbraw/zinc/39/48/07/506394807.db2.gz	QQDUHRLLKLGCCJ-UHFFFAOYSA-N	-1	3	373.350	2.871	50	30		FFEAHM
O=C1[N-]/C(=N\N=C/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000005009901	506414334	/nfs/dbraw/zinc/41/43/34/506414334.db2.gz	YDODFSWGFLYADU-GZQZNAIASA-N	-1	3	354.391	2.759	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2F)S[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000005005612	506414677	/nfs/dbraw/zinc/41/46/77/506414677.db2.gz	LNJYSCXFJAIDQB-RPJLVFAOSA-N	-1	3	372.381	2.898	50	30		FFEAHM
N#Cc1cccnc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl	ZINC000047280685	507299483	/nfs/dbraw/zinc/29/94/83/507299483.db2.gz	ANZRILXAXHTFPX-UHFFFAOYSA-N	-1	3	371.249	2.650	50	30		FFEAHM
Cc1nnc(=O)[n-]c1NN=Cc1ccc(OCc2ccccc2F)cc1	ZINC000004422720	526323292	/nfs/dbraw/zinc/32/32/92/526323292.db2.gz	CEBDULAZYWRHGQ-KEBDBYFISA-N	-1	3	353.357	2.637	50	30		FFEAHM
N=C([S-])NN=Cc1cc([N+](=O)[O-])ccc1OCCOc1ccccc1	ZINC000008680852	526816359	/nfs/dbraw/zinc/81/63/59/526816359.db2.gz	SGFRXCPDEMMQKB-WOJGMQOQSA-N	-1	3	360.395	2.631	50	30	aggregator	FFEAHM
C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000003100921	211089401	/nfs/dbraw/zinc/08/94/01/211089401.db2.gz	XWLHVWXIULQUQO-AWEZNQCLSA-N	-1	3	366.801	2.754	50	30		FFEAHM
O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(O)cc1[O-]	ZINC000002314459	210389916	/nfs/dbraw/zinc/38/99/16/210389916.db2.gz	RJLMTPPJACZKPG-IFRROFPPSA-N	-1	3	354.753	2.825	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@H]2c1ccccc1Cl	ZINC000001431732	210352995	/nfs/dbraw/zinc/35/29/95/210352995.db2.gz	VVYJNZDCVWUHRU-ZDUSSCGKSA-N	-1	3	371.824	2.917	50	30		FFEAHM
COc1cccc(N2C(=O)C(=O)C(=C(C)[O-])[C@H]2c2ccc(O)c(OC)c2)c1	ZINC000001220693	210336769	/nfs/dbraw/zinc/33/67/69/210336769.db2.gz	LJXFQXKMJYMNPL-GOSISDBHSA-N	-1	3	369.373	2.898	50	30		FFEAHM
C[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1ccc(C#N)cc1	ZINC000032911010	506311409	/nfs/dbraw/zinc/31/14/09/506311409.db2.gz	VGLXHZXMECAVSR-LLVKDONJSA-N	-1	3	350.403	2.914	50	30		FFEAHM
C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)ON=Cc1ccccc1[O-]	ZINC000252601688	509855352	/nfs/dbraw/zinc/85/53/52/509855352.db2.gz	FBJUIDUTVRSKBK-CQSZACIVSA-N	-1	3	367.405	2.686	50	30		FFEAHM
CC1(C)Cc2ccc(C(=O)N3CCc4c(C#N)c(N)sc4C3)c([O-])c2O1	ZINC000134628414	570796588	/nfs/dbraw/zinc/79/65/88/570796588.db2.gz	FOGMWSXXZAGMBS-UHFFFAOYSA-N	-1	3	369.446	2.820	50	30		FFEAHM
Cc1ncc(CO)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-]	ZINC000254488781	1014405722	/nfs/dbraw/zinc/40/57/22/1014405722.db2.gz	ILEGTLHBMBHDOR-UHFFFAOYSA-N	-1	3	370.287	2.961	50	30		FFEAHM
CC(C)c1ccn(C2(C(=O)[O-])CCN(Cc3ccc(C#N)cc3)CC2)n1	ZINC000072421744	1019894675	/nfs/dbraw/zinc/89/46/75/1019894675.db2.gz	FJNAIBJESDYEFE-UHFFFAOYSA-N	-1	3	352.438	2.954	50	30		FFEAHM
COc1ccc(S(=O)(=O)N/N=C(\C)c2cc(Cl)ccc2[O-])cc1	ZINC000017073400	211177990	/nfs/dbraw/zinc/17/79/90/211177990.db2.gz	HDKJZQXADCCAMF-LICLKQGHSA-N	-1	3	354.815	2.757	50	30		FFEAHM
C=CCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C	ZINC000002890613	263327710	/nfs/dbraw/zinc/32/77/10/263327710.db2.gz	OFQNAYHOEPHGTG-UHFFFAOYSA-N	-1	3	374.462	2.785	50	30		FFEAHM
CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ccccc3[N+](=O)[O-])sc2C1	ZINC000004275212	506367735	/nfs/dbraw/zinc/36/77/35/506367735.db2.gz	YUQUAJLFYUBIQZ-UHFFFAOYSA-N	-1	3	370.390	2.685	50	30		FFEAHM
Cc1cc(=NN=Cc2c([O-])ccc3ccccc32)nc(N2CCOCC2)[nH]1	ZINC000004859727	506400140	/nfs/dbraw/zinc/40/01/40/506400140.db2.gz	MYQIGXQJBUYHDW-FYJGNVAPSA-N	-1	3	363.421	2.926	50	30		FFEAHM
C=CCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCOc3ccccc3C1)C2	ZINC000067434117	506878626	/nfs/dbraw/zinc/87/86/26/506878626.db2.gz	BKQRWTQYQVFSFX-HNNXBMFYSA-N	-1	3	353.422	2.519	50	30		FFEAHM
C=CCOc1c(Cl)cc(CNCc2nc(C)cc(=O)[n-]2)cc1OCC	ZINC000067774428	507005102	/nfs/dbraw/zinc/00/51/02/507005102.db2.gz	XQYSCFWHWOWNPP-UHFFFAOYSA-N	-1	3	363.845	2.985	50	30		FFEAHM
CN(CCC#N)C(=O)CSc1nnc([N-]c2ccccc2F)s1	ZINC000006788211	522670174	/nfs/dbraw/zinc/67/01/74/522670174.db2.gz	YVHZDUKQRNKAFT-UHFFFAOYSA-N	-1	3	351.432	2.885	50	30		FFEAHM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC#N	ZINC000062580471	212029597	/nfs/dbraw/zinc/02/95/97/212029597.db2.gz	DHSGSNJQUBAMIW-SSDOTTSWSA-N	-1	3	367.652	2.692	50	30		FFEAHM
Cc1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[n-]c(=O)c42)c2ccccc2C3=O)cc1C	ZINC000018201176	211195825	/nfs/dbraw/zinc/19/58/25/211195825.db2.gz	VCHMRISGIZHYJM-OAHLLOKOSA-N	-1	3	371.396	2.845	50	30		FFEAHM
CCOC(=O)c1c2c(sc1NC(=O)CN(CC)CC)/C(=N\[O-])CCC2	ZINC000013941940	211066206	/nfs/dbraw/zinc/06/62/06/211066206.db2.gz	OLBAOWISRQKCOL-UNOMPAQXSA-N	-1	3	367.471	2.720	50	30		FFEAHM
C=CCn1nc(C)c(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)c1C	ZINC000067886603	507039734	/nfs/dbraw/zinc/03/97/34/507039734.db2.gz	VAPPFQUFULMQKO-UHFFFAOYSA-N	-1	3	374.452	2.972	50	30		FFEAHM
C=CCn1nc(C)c(-c2c(-c3ccccc3)ncn2CCc2nn[n-]n2)c1C	ZINC000067886603	507039744	/nfs/dbraw/zinc/03/97/44/507039744.db2.gz	VAPPFQUFULMQKO-UHFFFAOYSA-N	-1	3	374.452	2.972	50	30		FFEAHM
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2nccs2)cc1OC	ZINC000001296928	210341174	/nfs/dbraw/zinc/34/11/74/210341174.db2.gz	QDIPGMQFFOKSDB-AWEZNQCLSA-N	-1	3	360.391	2.649	50	30		FFEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2nccs2)cc1OC	ZINC000001296928	210341177	/nfs/dbraw/zinc/34/11/77/210341177.db2.gz	QDIPGMQFFOKSDB-AWEZNQCLSA-N	-1	3	360.391	2.649	50	30		FFEAHM
O=C(CN1C(=O)CSc2ccccc21)Nc1nnc(-c2ccccn2)[n-]1	ZINC000053525099	136124956	/nfs/dbraw/zinc/12/49/56/136124956.db2.gz	NHUHBFDGEFKJIO-UHFFFAOYSA-N	-1	3	366.406	2.594	50	30		FFEAHM
O=C(CN1C(=O)CSc2ccccc21)Nc1nc(-c2ccccn2)n[n-]1	ZINC000053525099	136124957	/nfs/dbraw/zinc/12/49/57/136124957.db2.gz	NHUHBFDGEFKJIO-UHFFFAOYSA-N	-1	3	366.406	2.594	50	30		FFEAHM
O=C(CN1C(=O)CSc2ccccc21)Nc1n[n-]c(-c2ccccn2)n1	ZINC000053525099	136124958	/nfs/dbraw/zinc/12/49/58/136124958.db2.gz	NHUHBFDGEFKJIO-UHFFFAOYSA-N	-1	3	366.406	2.594	50	30		FFEAHM
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=O)[n-]c(=O)c1[C@H]2c1ccc(Cl)cc1	ZINC000004201637	506366507	/nfs/dbraw/zinc/36/65/07/506366507.db2.gz	AZEKVQYZYVLLHG-ZDUSSCGKSA-N	-1	3	371.824	2.917	50	30		FFEAHM
[O-]c1ccc2ccccc2c1CN=Nc1ncc(F)c(N2CCOCC2)n1	ZINC000055134772	526355350	/nfs/dbraw/zinc/35/53/50/526355350.db2.gz	OQGJWSSCBQFMBN-JJFYIABZSA-N	-1	3	367.384	2.757	50	30		FFEAHM
Cc1cc(C)n2nc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)nc2n1	ZINC000003341845	219502447	/nfs/dbraw/zinc/50/24/47/219502447.db2.gz	LYEDGLIOSCAJMH-UHFFFAOYSA-N	-1	3	352.423	2.805	50	30		FFEAHM
Cc1cccc(NC(=O)[C@H]2CC(=O)[N-]/C(=N/N=C/c3ccco3)S2)c1	ZINC000016977168	211175116	/nfs/dbraw/zinc/17/51/16/211175116.db2.gz	PIYYFPYNWFVVPO-YFEUJDIGSA-N	-1	3	356.407	2.538	50	30		FFEAHM
COc1cc(Br)cc(/C=N/NC(=S)NC(C)(C)C)c1[O-]	ZINC000001037897	210304095	/nfs/dbraw/zinc/30/40/95/210304095.db2.gz	HGUWWLNMHNQZEW-VIZOYTHASA-N	-1	3	360.277	2.760	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)[C@@H](C)NC(=O)c2cccs2)n[n-]1	ZINC000052778886	506249496	/nfs/dbraw/zinc/24/94/96/506249496.db2.gz	XTAHSDVDQGYWMC-SNVBAGLBSA-N	-1	3	371.422	2.948	50	30		FFEAHM
CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc3nccnc3c2)cc1	ZINC000006362133	525218080	/nfs/dbraw/zinc/21/80/80/525218080.db2.gz	GASGJRPOQRYYFT-YCRREMRBSA-N	-1	3	353.403	2.897	50	30		FFEAHM
O=C([O-])CC1S/C(=N\C(=O)c2ccccc2)N(c2ccccc2)C1=O	ZINC000016673000	220190909	/nfs/dbraw/zinc/19/09/09/220190909.db2.gz	TVVZHFNYVXWMMI-JGWKNBOWSA-N	-1	3	354.387	2.806	50	30		FFEAHM
COc1cc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc(OC)c1OC	ZINC000012913539	211006848	/nfs/dbraw/zinc/00/68/48/211006848.db2.gz	OTTXAUNLZDEIPM-UHFFFAOYSA-N	-1	3	358.354	2.921	50	30		FFEAHM
COc1cc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc(OC)c1OC	ZINC000012913539	211006855	/nfs/dbraw/zinc/00/68/55/211006855.db2.gz	OTTXAUNLZDEIPM-UHFFFAOYSA-N	-1	3	358.354	2.921	50	30		FFEAHM
COc1cc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc(OC)c1OC	ZINC000012913539	211006861	/nfs/dbraw/zinc/00/68/61/211006861.db2.gz	OTTXAUNLZDEIPM-UHFFFAOYSA-N	-1	3	358.354	2.921	50	30		FFEAHM
CNC(=O)N([O-])[C@@H]1N(/N=C/c2ccc(C)cc2)C(=S)SC1(C)C	ZINC000004794978	506395191	/nfs/dbraw/zinc/39/51/91/506395191.db2.gz	NZDHVUOGMNUXDO-UWONZBIMSA-N	-1	3	352.485	2.798	50	30		FFEAHM
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc([O-])cc2O)c1	ZINC000006080866	524407041	/nfs/dbraw/zinc/40/70/41/524407041.db2.gz	KIANHVZOFRBESP-UHFFFAOYSA-N	-1	3	368.389	2.818	50	30		FFEAHM
COc1cccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)c2ccccc23)c1O	ZINC000018196268	211194159	/nfs/dbraw/zinc/19/41/59/211194159.db2.gz	FRNNYYGNBXSYKX-CYBMUJFWSA-N	-1	3	361.357	2.995	50	30		FFEAHM
Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3c(=O)[n-]2)=C1N	ZINC000018169857	211193202	/nfs/dbraw/zinc/19/32/02/211193202.db2.gz	HNPABDBEKUVTPR-UHFFFAOYSA-N	-1	3	366.808	2.602	50	30		FFEAHM
C#CCOc1c(C=C2SC(=O)[N-]C2=O)cc(Br)cc1OC	ZINC000033349530	506357177	/nfs/dbraw/zinc/35/71/77/506357177.db2.gz	GKWLCLXSRBIPBU-WDZFZDKYSA-N	-1	3	368.208	2.794	50	30		FFEAHM
CNC(=O)N([O-])[C@H]1N(/N=C/c2ccc(C)cc2)C(=S)SC1(C)C	ZINC000004794975	506394790	/nfs/dbraw/zinc/39/47/90/506394790.db2.gz	NZDHVUOGMNUXDO-UDPFGDFPSA-N	-1	3	352.485	2.798	50	30		FFEAHM
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2sccc2C#N)c1	ZINC000006602676	506490352	/nfs/dbraw/zinc/49/03/52/506490352.db2.gz	KHVLDMHLBMPAGZ-UHFFFAOYSA-N	-1	3	369.855	2.776	50	30		FFEAHM
Cc1nc(C)c(S(=O)(=O)[N-]Cc2nc(-c3cccc(C#N)c3)c[nH]2)s1	ZINC000095462106	508187211	/nfs/dbraw/zinc/18/72/11/508187211.db2.gz	QFEXZEUGYUCCRG-UHFFFAOYSA-N	-1	3	373.463	2.500	50	30		FFEAHM
CCOC(=O)C(=N[N-]c1sc2c(c1C(=O)OCC)CCCC2)C(C)=O	ZINC000252617435	509855109	/nfs/dbraw/zinc/85/51/09/509855109.db2.gz	KSUMQUCXGNUEKT-UHFFFAOYSA-N	-1	3	366.439	2.724	50	30		FFEAHM
COc1cc(NC(=N)Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc(OC)c1	ZINC000020028233	522631123	/nfs/dbraw/zinc/63/11/23/522631123.db2.gz	HHZPHNRAVFZBEF-UHFFFAOYSA-N	-1	3	365.393	2.512	50	30		FFEAHM
CCOC(=O)c1ccc([C@@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)cc1	ZINC000018195662	220228194	/nfs/dbraw/zinc/22/81/94/220228194.db2.gz	BWBRWFMEOQBREX-AWEZNQCLSA-N	-1	3	353.378	2.857	50	30		FFEAHM
C=CCOc1ccc(C2=NOC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@H]23)cc1	ZINC000101294785	222267597	/nfs/dbraw/zinc/26/75/97/222267597.db2.gz	YHJBVLSWZJUAOT-SJLPKXTDSA-N	-1	3	366.348	2.683	50	30		FFEAHM
C=CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)c1nc2c(s1)CCCC2	ZINC000021843700	263385227	/nfs/dbraw/zinc/38/52/27/263385227.db2.gz	AUYZGJHKOTUEMW-UHFFFAOYSA-N	-1	3	372.494	2.874	50	30		FFEAHM
C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccnn3C)sc2C1	ZINC000004646660	506385764	/nfs/dbraw/zinc/38/57/64/506385764.db2.gz	WPAWIFPPAYJRLW-SECBINFHSA-N	-1	3	359.480	2.605	50	30		FFEAHM
COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(OC)c1[O-]	ZINC000007333660	506552921	/nfs/dbraw/zinc/55/29/21/506552921.db2.gz	QEZHLOUTFSWVOM-HWKANZROSA-N	-1	3	355.346	2.636	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c(cc1Cl)OCO2	ZINC000009114181	506683853	/nfs/dbraw/zinc/68/38/53/506683853.db2.gz	DCORMCLPSZJWAT-UHFFFAOYSA-N	-1	3	373.796	2.817	50	30		FFEAHM
O=C(CCCn1cnc2ccccc2c1=O)Nc1nnc(C(F)(F)F)[n-]1	ZINC000026252952	507572560	/nfs/dbraw/zinc/57/25/60/507572560.db2.gz	HHFQMJDRTMOTIJ-UHFFFAOYSA-N	-1	3	366.303	2.602	50	30		FFEAHM
O=C(CCCn1cnc2ccccc2c1=O)Nc1nc(C(F)(F)F)n[n-]1	ZINC000026252952	507572570	/nfs/dbraw/zinc/57/25/70/507572570.db2.gz	HHFQMJDRTMOTIJ-UHFFFAOYSA-N	-1	3	366.303	2.602	50	30		FFEAHM
C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ncc(C)s2)ccc1Cl	ZINC000028777626	507742645	/nfs/dbraw/zinc/74/26/45/507742645.db2.gz	LSWQZGVFJNATSI-UHFFFAOYSA-N	-1	3	371.871	2.822	50	30		FFEAHM
C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)ON=Cc1ccccc1[O-]	ZINC000252601543	509855390	/nfs/dbraw/zinc/85/53/90/509855390.db2.gz	FBJUIDUTVRSKBK-AWEZNQCLSA-N	-1	3	367.405	2.686	50	30		FFEAHM
CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccccc2[O-])cc1	ZINC000006876130	520822903	/nfs/dbraw/zinc/82/29/03/520822903.db2.gz	AISZPONEGSTYOY-WOJGMQOQSA-N	-1	3	355.423	2.916	50	30		FFEAHM
CC(C)c1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000058250352	535372811	/nfs/dbraw/zinc/37/28/11/535372811.db2.gz	NQJVRWZPJMPYCP-UHFFFAOYSA-N	-1	3	350.422	2.745	50	30		FFEAHM
C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(-c2ccc(F)cc2)no1	ZINC000058193509	221105719	/nfs/dbraw/zinc/10/57/19/221105719.db2.gz	PYHSLJFLPLXCMQ-LLVKDONJSA-N	-1	3	372.381	2.787	50	30		FFEAHM
C#CCOc1c(C=C2SC(=O)[N-]C2=O)cc(Br)cc1OC	ZINC000002169634	506274538	/nfs/dbraw/zinc/27/45/38/506274538.db2.gz	GKWLCLXSRBIPBU-IZZDOVSWSA-N	-1	3	368.208	2.794	50	30		FFEAHM
C=CCNC(=S)N=NCc1cc(Br)c([O-])c(OCC)c1	ZINC000012374176	506854979	/nfs/dbraw/zinc/85/49/79/506854979.db2.gz	KMRWZAREMKOCCO-PXNMLYILSA-N	-1	3	358.261	2.949	50	30		FFEAHM
CCc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1Br	ZINC000089279945	507826844	/nfs/dbraw/zinc/82/68/44/507826844.db2.gz	IUTZNJLTDIXRNE-UHFFFAOYSA-N	-1	3	369.244	2.716	50	30		FFEAHM
COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cccc(OC)c1	ZINC000585091925	571320377	/nfs/dbraw/zinc/32/03/77/571320377.db2.gz	KLUGTQXZEWDNHZ-KRWDZBQOSA-N	-1	3	360.435	2.541	50	30		FFEAHM
COc1ccc([C@H]2c3c(=O)[n-][nH]c3NC3=C2C(=O)CCC3)c(OC)c1OC	ZINC000018195821	220227249	/nfs/dbraw/zinc/22/72/49/220227249.db2.gz	ZHVZDLILLLPSJM-CYBMUJFWSA-N	-1	3	371.393	2.706	50	30		FFEAHM
COc1ccc([C@H]2c3c(=O)[nH][n-]c3NC3=C2C(=O)CCC3)c(OC)c1OC	ZINC000018195821	220227251	/nfs/dbraw/zinc/22/72/51/220227251.db2.gz	ZHVZDLILLLPSJM-CYBMUJFWSA-N	-1	3	371.393	2.706	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1	ZINC000018209325	220228047	/nfs/dbraw/zinc/22/80/47/220228047.db2.gz	SPRMZDNAEZLFRM-LZNAANCOSA-N	-1	3	354.391	2.759	50	30		FFEAHM
CCc1ccc([O-])c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1	ZINC000058228840	221110214	/nfs/dbraw/zinc/11/02/14/221110214.db2.gz	YUHWPYQHIPHEQQ-UHFFFAOYSA-N	-1	3	366.421	2.654	50	30		FFEAHM
COc1ccccc1-c1nc(NC(=O)CN(C)C(=O)c2cccs2)n[n-]1	ZINC000052779047	506249302	/nfs/dbraw/zinc/24/93/02/506249302.db2.gz	WHJNDRFTJVDPEJ-UHFFFAOYSA-N	-1	3	371.422	2.902	50	30		FFEAHM
O=C1[N-]/C(=N\N=C\c2ccccc2F)S[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000005005609	506414043	/nfs/dbraw/zinc/41/40/43/506414043.db2.gz	LNJYSCXFJAIDQB-GDXCHIGESA-N	-1	3	372.381	2.898	50	30		FFEAHM
C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000040145085	506474123	/nfs/dbraw/zinc/47/41/23/506474123.db2.gz	FGVOMSOZDBCFEJ-UHFFFAOYSA-N	-1	3	351.859	2.859	50	30		FFEAHM
O=C1C=CC(=NNc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2cccc([O-])c21	ZINC000006473396	506484607	/nfs/dbraw/zinc/48/46/07/506484607.db2.gz	AOBBMKJSOBGFSR-QGOAFFKASA-N	-1	3	354.278	2.777	50	30		FFEAHM
CCN(CC)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1	ZINC000006497071	506486123	/nfs/dbraw/zinc/48/61/23/506486123.db2.gz	YSYJWOZCSKKWMS-MRXNPFEDSA-N	-1	3	357.435	2.602	50	30		FFEAHM
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCOc1ccccc1	ZINC000009317009	506689808	/nfs/dbraw/zinc/68/98/08/506689808.db2.gz	ZHDYUGZAHKNITB-UHFFFAOYSA-N	-1	3	367.449	2.771	50	30		FFEAHM
C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccn(C)n3)sc2C1	ZINC000000832656	219328724	/nfs/dbraw/zinc/32/87/24/219328724.db2.gz	QSSAECSRIREBAC-VIFPVBQESA-N	-1	3	359.480	2.605	50	30		FFEAHM
COc1cc(OC)c([C@H]2[N-]c3nonc3N=C3CCCC(=O)C32)cc1OC	ZINC000012389746	506857868	/nfs/dbraw/zinc/85/78/68/506857868.db2.gz	AABUAJFNDCALFA-MRXNPFEDSA-N	-1	3	372.381	2.681	50	30		FFEAHM
Cn1ncc(N=Cc2c([O-])ccc3ccccc32)c1C(=O)N1CCOCC1	ZINC000252628336	509855403	/nfs/dbraw/zinc/85/54/03/509855403.db2.gz	SNYOUCFSFAASPB-UHFFFAOYSA-N	-1	3	364.405	2.502	50	30		FFEAHM
COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3[O-])NC2=O)cc1	ZINC000055501992	221070448	/nfs/dbraw/zinc/07/04/48/221070448.db2.gz	VVBRNCOBMAIGNK-GAZRNQOFSA-N	-1	3	353.403	2.995	50	30		FFEAHM
N#Cc1cccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1	ZINC000032865316	506305744	/nfs/dbraw/zinc/30/57/44/506305744.db2.gz	JSZWVBAOOJKQPE-UHFFFAOYSA-N	-1	3	361.492	2.563	50	30		FFEAHM
C/C(=N\N=C1/SC(CC(=O)[O-])C(=O)N1c1ccccc1)c1ccco1	ZINC000039366555	506448238	/nfs/dbraw/zinc/44/82/38/506448238.db2.gz	LPWZTQQUBFICOZ-XGZFCMHBSA-N	-1	3	357.391	2.983	50	30		FFEAHM
CCCCCCOc1ccc(C=NNc2[n-]c(=O)nnc2C)cc1OC	ZINC000003947138	520103171	/nfs/dbraw/zinc/10/31/71/520103171.db2.gz	OIYLCJPMWIWXDR-XDHOZWIPSA-N	-1	3	359.430	2.887	50	30		FFEAHM
CCc1ccc(/C=N\[N-]S(=O)(=O)c2cc(OC)ccc2OC)s1	ZINC000017073330	523875067	/nfs/dbraw/zinc/87/50/67/523875067.db2.gz	XRALTXUGCJHFDX-YBEGLDIGSA-N	-1	3	354.453	2.640	50	30		FFEAHM
O=C([O-])CC1S/C(=N/N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O	ZINC000005101630	506423016	/nfs/dbraw/zinc/42/30/16/506423016.db2.gz	ZFXSHIOAVVLRMG-IEVZGDPOSA-N	-1	3	369.402	2.705	50	30		FFEAHM
N#Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)c1	ZINC000009050003	506679183	/nfs/dbraw/zinc/67/91/83/506679183.db2.gz	LMQVTLNMLXWJGZ-UHFFFAOYSA-N	-1	3	350.783	2.784	50	30		FFEAHM
COc1ccc(/C=C2/SC(=NN=Cc3ccccc3[O-])NC2=O)cc1	ZINC000252632613	509854707	/nfs/dbraw/zinc/85/47/07/509854707.db2.gz	VVBRNCOBMAIGNK-LXKJYRDISA-N	-1	3	353.403	2.995	50	30		FFEAHM
Cc1nnc(=O)[n-]c1NN=Cc1cccc(OCc2ccc(F)cc2)c1	ZINC000004422780	526323148	/nfs/dbraw/zinc/32/31/48/526323148.db2.gz	NXHUJVIUWZNVMN-KEBDBYFISA-N	-1	3	353.357	2.637	50	30		FFEAHM
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2cccnc2)cc1OC	ZINC000000707648	219315280	/nfs/dbraw/zinc/31/52/80/219315280.db2.gz	YNQKNSBQNSTBBE-KRWDZBQOSA-N	-1	3	354.362	2.588	50	30		FFEAHM
COc1ccc([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2cccnc2)cc1OC	ZINC000000707648	219315282	/nfs/dbraw/zinc/31/52/82/219315282.db2.gz	YNQKNSBQNSTBBE-KRWDZBQOSA-N	-1	3	354.362	2.588	50	30		FFEAHM
C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1	ZINC000058193465	221105724	/nfs/dbraw/zinc/10/57/24/221105724.db2.gz	IHEBIQLEANXKPC-NSHDSACASA-N	-1	3	372.381	2.787	50	30		FFEAHM
Cc1nn(C)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)c1[N+](=O)[O-]	ZINC000002782527	506292988	/nfs/dbraw/zinc/29/29/88/506292988.db2.gz	BPPCPJTYTXGHJO-MRVPVSSYSA-N	-1	3	359.411	2.947	50	30		FFEAHM
C=CCNCc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]1	ZINC000036154289	506398612	/nfs/dbraw/zinc/39/86/12/506398612.db2.gz	RBRHHZRKIWCZEA-UHFFFAOYSA-N	-1	3	357.435	2.944	50	30		FFEAHM
COc1ccc([C@H]2[N-]c3nonc3N=C3CCCC(=O)C32)c(OC)c1OC	ZINC000012390783	506858227	/nfs/dbraw/zinc/85/82/27/506858227.db2.gz	FBKCXOWJFDVFPC-CQSZACIVSA-N	-1	3	372.381	2.681	50	30		FFEAHM
COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1c(C)cccc1C	ZINC000170598308	509676326	/nfs/dbraw/zinc/67/63/26/509676326.db2.gz	CQXFUWWJXXNHFW-SFHVURJKSA-N	-1	3	372.446	2.509	50	30		FFEAHM
Cc1ncc(CO)c(C=NNC(=S)Nc2ccc(Cl)cc2)c1[O-]	ZINC000254439192	509905946	/nfs/dbraw/zinc/90/59/46/509905946.db2.gz	MRBWERSBRZEZDE-UHFFFAOYSA-N	-1	3	350.831	2.562	50	30		FFEAHM