smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005046248	206187827	/nfs/dbraw/zinc/18/78/27/206187827.db2.gz	UHVJKOBQDZBVID-NWDGAFQWSA-N	-1	0	364.854	3.671	40	30		FHEBRM
CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000027099715	206399178	/nfs/dbraw/zinc/39/91/78/206399178.db2.gz	HIFJCPQKFCZDDL-DRLPDHLDSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
O=C([O-])c1ccc(-n2cccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000409239708	263545872	/nfs/dbraw/zinc/54/58/72/263545872.db2.gz	IOUDGMSSLNLTKB-XDHOZWIPSA-N	-1	0	350.334	3.530	40	30		FHEBRM
CCCCC[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)C(=O)[O-]	ZINC000064857594	520294599	/nfs/dbraw/zinc/29/45/99/520294599.db2.gz	ZMSIOGLWJPSSFG-AHUSATQRSA-N	-1	0	364.482	3.849	40	30	in-vitro	FHEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000408532648	570514428	/nfs/dbraw/zinc/51/44/28/570514428.db2.gz	OKPIBZPMJNKZPD-DHDCSXOGSA-N	-1	0	355.375	3.500	40	30		FHEBRM
CN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656340	570687566	/nfs/dbraw/zinc/68/75/66/570687566.db2.gz	UCSWGGNPHWOILR-HBVQVORYSA-N	-1	0	356.378	3.758	40	30		FHEBRM
CCOc1cccc(C=NN=c2[nH]c3ccccc3s2)c1OCC(=O)[O-]	ZINC000409212412	570741055	/nfs/dbraw/zinc/74/10/55/570741055.db2.gz	PSOJFINSYBIGBD-GRSHGNNSSA-N	-1	0	371.418	3.604	40	30		FHEBRM
COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1O[C@@H](C)C(=O)[O-]	ZINC000409220564	570742317	/nfs/dbraw/zinc/74/23/17/570742317.db2.gz	BNZOPUGZWOFGBI-KKBVUKDESA-N	-1	0	363.797	3.960	40	30		FHEBRM
CN(C)c1ccc(/C=N\c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cc1	ZINC000017300170	570871677	/nfs/dbraw/zinc/87/16/77/570871677.db2.gz	WJRISLCESOLFPX-NDENLUEZSA-N	-1	0	370.430	3.609	40	30		FHEBRM
COC(=O)c1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1Cl	ZINC000059248505	571088462	/nfs/dbraw/zinc/08/84/62/571088462.db2.gz	UJNNLNNSUSMIOE-JZOCJUILSA-N	-1	0	361.781	3.729	40	30		FHEBRM
COC(=O)c1cc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1Cl	ZINC000059678933	571092243	/nfs/dbraw/zinc/09/22/43/571092243.db2.gz	JYPQJBHXMDSXBU-KKBVUKDESA-N	-1	0	361.781	3.729	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(N(C)C)cc3)SC2=N)s1	ZINC000137716462	571311062	/nfs/dbraw/zinc/31/10/62/571311062.db2.gz	JNPPKXGUMXGJCP-OCLZBJRFSA-N	-1	0	358.492	3.584	40	30		FHEBRM
O=c1[nH]c2ccc(/N=C/c3cc(Cl)cc(Br)c3[O-])cc2[nH]1	ZINC000001510747	204010846	/nfs/dbraw/zinc/01/08/46/204010846.db2.gz	ZTYDWCHTJHPQSK-UBKPWBPPSA-N	-1	0	366.602	3.728	40	30		FHEBRM
O=C(Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1)c1ccco1	ZINC000005567581	204215695	/nfs/dbraw/zinc/21/56/95/204215695.db2.gz	GONZJPXNFBJZSS-YBFXNURJSA-N	-1	0	351.318	3.896	40	30		FHEBRM
O=C1CC[C@@]2(C/C(=N\[O-])c3ccccc3O2)CCN1Cc1ccccc1	ZINC000013568870	206302365	/nfs/dbraw/zinc/30/23/65/206302365.db2.gz	HWKUWNOLQGULTD-VUZMPXBXSA-N	-1	0	350.418	3.599	40	30		FHEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cccc2ccccc21	ZINC000408739524	263493929	/nfs/dbraw/zinc/49/39/29/263493929.db2.gz	CLLIXSVSAWRLPU-KOWBDXASSA-N	-1	0	373.437	3.606	40	30		FHEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)o1	ZINC000408751232	570689493	/nfs/dbraw/zinc/68/94/93/570689493.db2.gz	XZGZFNKODDSELY-JMIUGGIZSA-N	-1	0	366.333	3.702	40	30		FHEBRM
COc1cccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000409070796	570719453	/nfs/dbraw/zinc/71/94/53/570719453.db2.gz	MBPNZJAMZNUPKY-LZYBPNLTSA-N	-1	0	351.156	3.822	40	30		FHEBRM
C=CCc1cc(/C=N/[O-])cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409079007	570720816	/nfs/dbraw/zinc/72/08/16/570720816.db2.gz	JRJCQGQVICCAAM-VCHYOVAHSA-N	-1	0	373.321	3.841	40	30		FHEBRM
COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(O)c(C(=O)[O-])c1	ZINC000409234106	570744663	/nfs/dbraw/zinc/74/46/63/570744663.db2.gz	LXVCKCVRNDYERJ-BKUYFWCQSA-N	-1	0	354.406	3.840	40	30		FHEBRM
Cc1ccsc1C=NN=c1nc(NN=Cc2sccc2C)c(C)n[n-]1	ZINC000027579522	571184787	/nfs/dbraw/zinc/18/47/87/571184787.db2.gz	VNRFXZYHRLKPNI-YPOGWSRFSA-N	-1	0	371.495	3.812	40	30		FHEBRM
O=C([O-])/C(=N/c1ccccc1C(=O)NCc1ccccc1)c1ccccc1	ZINC000004727633	571200158	/nfs/dbraw/zinc/20/01/58/571200158.db2.gz	VHNXBORBYSLEKG-HIXSDJFHSA-N	-1	0	358.397	3.822	40	30		FHEBRM
N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000408753128	571319422	/nfs/dbraw/zinc/31/94/22/571319422.db2.gz	LOHYQYMVCYZVLD-RYRKJORJSA-N	-1	0	361.357	3.991	40	30		FHEBRM
CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c1O	ZINC000001243558	203996834	/nfs/dbraw/zinc/99/68/34/203996834.db2.gz	DDURSZSLRSHXPX-ODLFYWEKSA-N	-1	0	354.435	3.903	40	30		FHEBRM
CCOc1ccc(-c2cc(-c3ccc4c(c3)OCO4)[n-]c(=O)c2C#N)cc1	ZINC000001440423	204007093	/nfs/dbraw/zinc/00/70/93/204007093.db2.gz	HLGRZTMGZPIRBH-UHFFFAOYSA-N	-1	0	360.369	3.708	40	30		FHEBRM
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-]	ZINC000004217371	204126783	/nfs/dbraw/zinc/12/67/83/204126783.db2.gz	OHZWNMVYJJTNKU-VAFIVCJBSA-N	-1	0	372.505	3.970	40	30	in-man	FHEBRM
O=C([O-])COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1	ZINC000009195154	204358268	/nfs/dbraw/zinc/35/82/68/204358268.db2.gz	BTDMKUTUNVWUBD-UFWORHAWSA-N	-1	0	353.205	3.581	40	30		FHEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)s1	ZINC000225657153	206118297	/nfs/dbraw/zinc/11/82/97/206118297.db2.gz	LJJYDIGPMVBOMZ-UHFFFAOYSA-N	-1	0	355.510	3.542	40	30		FHEBRM
COc1ccccc1/C=N/c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000020060619	263377612	/nfs/dbraw/zinc/37/76/12/263377612.db2.gz	NYWOZTURKZMGTC-FYJGNVAPSA-N	-1	0	367.430	3.642	40	30		FHEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1	ZINC000224292676	519042012	/nfs/dbraw/zinc/04/20/12/519042012.db2.gz	SSCOVUFOJFOPDB-UHFFFAOYSA-N	-1	0	373.474	3.940	40	30		FHEBRM
CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000100013581	519921212	/nfs/dbraw/zinc/92/12/12/519921212.db2.gz	VXPBDCBTMSKCKZ-XQHNHVHJSA-N	-1	0	352.471	3.683	40	30	endogenous,in-man	FHEBRM
O=C([O-])CCC1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	ZINC000095681918	570471039	/nfs/dbraw/zinc/47/10/39/570471039.db2.gz	YXUKJTXFRUHNOD-UHFFFAOYSA-N	-1	0	354.115	3.955	40	30		FHEBRM
O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=N\[O-])cc1	ZINC000100250118	570549067	/nfs/dbraw/zinc/54/90/67/570549067.db2.gz	VLSMBGNFEFYAEZ-PXNMLYILSA-N	-1	0	351.156	3.744	40	30		FHEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc2ccccc2c1	ZINC000408743044	570687931	/nfs/dbraw/zinc/68/79/31/570687931.db2.gz	YWPYCKQJBCHSOZ-ZFJBLLOBSA-N	-1	0	373.437	3.606	40	30		FHEBRM
COc1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1S(=O)(=O)[O-]	ZINC000011612600	570704243	/nfs/dbraw/zinc/70/42/43/570704243.db2.gz	CXHADBHCKVFEFS-GRSHGNNSSA-N	-1	0	363.435	3.830	40	30		FHEBRM
O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c([O-])c(Br)c1	ZINC000409065642	570718627	/nfs/dbraw/zinc/71/86/27/570718627.db2.gz	JXGGYDKYGNSHFY-OMCISZLKSA-N	-1	0	371.578	3.557	40	30		FHEBRM
COc1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409073195	570719785	/nfs/dbraw/zinc/71/97/85/570719785.db2.gz	VJWMPJVYKFUROE-LZYBPNLTSA-N	-1	0	351.156	3.822	40	30		FHEBRM
Cc1c(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cccc1C(=O)[O-]	ZINC000409186822	570737603	/nfs/dbraw/zinc/73/76/03/570737603.db2.gz	IHPOYXUQTDZEFI-SRZZPIQSSA-N	-1	0	355.390	3.774	40	30		FHEBRM
CCOC(=O)c1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1	ZINC000059678959	571092350	/nfs/dbraw/zinc/09/23/50/571092350.db2.gz	BVXAHWSWOUFFLD-KEBDBYFISA-N	-1	0	361.781	3.731	40	30		FHEBRM
COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(N(C)C)cc2)cc1	ZINC000001473626	204009897	/nfs/dbraw/zinc/00/98/97/204009897.db2.gz	WYDGWUZTZPVRID-UNOMPAQXSA-N	-1	0	353.451	3.564	40	30		FHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(OC)c1OC	ZINC000005879714	206199635	/nfs/dbraw/zinc/19/96/35/206199635.db2.gz	PRHSDRCFESSFSM-ODLFYWEKSA-N	-1	0	370.434	3.516	40	30		FHEBRM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)c1ccc(Cl)c(Cl)c1	ZINC000016478661	527648137	/nfs/dbraw/zinc/64/81/37/527648137.db2.gz	KALJBRLAFRTEMZ-HLRDLLSLSA-N	-1	0	364.228	3.975	40	30		FHEBRM
N#C[C@H]1C2=C(CCCC2)S[C@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408740765	570687607	/nfs/dbraw/zinc/68/76/07/570687607.db2.gz	MHSDCHVBXMYXNY-KBGZNJIESA-N	-1	0	374.378	3.668	40	30		FHEBRM
CN(C)c1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000409105401	570726423	/nfs/dbraw/zinc/72/64/23/570726423.db2.gz	JARHRLSDJQIADH-MFOYZWKCSA-N	-1	0	364.199	3.880	40	30		FHEBRM
COc1cccc(/C=N/c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c1	ZINC000100370635	570760330	/nfs/dbraw/zinc/76/03/30/570760330.db2.gz	YILSENJQWNVZSC-FYJGNVAPSA-N	-1	0	367.430	3.642	40	30		FHEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1[O-]	ZINC000013306997	570776307	/nfs/dbraw/zinc/77/63/07/570776307.db2.gz	OYUYWMAURHIVST-YBFXNURJSA-N	-1	0	361.785	3.541	40	30		FHEBRM
C=CCOc1c(Br)cc(/C=C/C(=O)[O-])cc1Br	ZINC000006293482	570780492	/nfs/dbraw/zinc/78/04/92/570780492.db2.gz	FYSPIHYOMFOJNQ-ONEGZZNKSA-N	-1	0	362.017	3.874	40	30		FHEBRM
CCN1C(=O)C(=CNc2ccccc2)S/C1=N\[N-]c1nc(C)cs1	ZINC000018252245	570877768	/nfs/dbraw/zinc/87/77/68/570877768.db2.gz	BAXTZWDZUGYMHF-MEHLXETNSA-N	-1	0	359.480	3.683	40	30		FHEBRM
COc1ccc(C=Nc2cccc(-c3n[nH]c(=S)[n-]c3=O)c2)cc1OC	ZINC000054363827	571114218	/nfs/dbraw/zinc/11/42/18/571114218.db2.gz	UKLAUFLYEBGGII-VXLYETTFSA-N	-1	0	368.418	3.675	40	30		FHEBRM
COc1cc(C#N)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408539639	602159855	/nfs/dbraw/zinc/15/98/55/602159855.db2.gz	XUHOVNGDLYBVPJ-UHFFFAOYSA-N	-1	0	362.179	3.607	40	30		FHEBRM
Cc1nc(N=NCc2cc([N+](=O)[O-])cc(Br)c2[O-])sc1C	ZINC000006200931	204240601	/nfs/dbraw/zinc/24/06/01/204240601.db2.gz	NOZZCBRPXZKSMW-LHHJGKSTSA-N	-1	0	371.216	3.582	40	30		FHEBRM
Cc1cccc2c([O-])c(/C=C/C(=O)c3cc4ccccc4oc3=O)c(=O)[nH]c12	ZINC000006382717	204246748	/nfs/dbraw/zinc/24/67/48/204246748.db2.gz	VACNLVLFIXEHSS-MDZDMXLPSA-N	-1	0	373.364	3.545	40	30		FHEBRM
CCc1ccc2nc3[n-]c(NN=Cc4cccc(O)c4Cl)nnc-3c2c1	ZINC000006959119	204285115	/nfs/dbraw/zinc/28/51/15/204285115.db2.gz	WFRJMUZQZWKAQN-AWQFTUOYSA-N	-1	0	366.812	3.874	40	30		FHEBRM
O=C([O-])COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1	ZINC000009196981	204358459	/nfs/dbraw/zinc/35/84/59/204358459.db2.gz	DSMNPHPMYZCOMW-UFWORHAWSA-N	-1	0	353.205	3.581	40	30		FHEBRM
Cc1ccc(NC(=O)C(=O)C=C(O)C2=C(C)Nc3ccccc3S2)cc1	ZINC000104274704	206000190	/nfs/dbraw/zinc/00/01/90/206000190.db2.gz	GWKQWJBMDNNRGP-UHFFFAOYSA-N	-1	0	366.442	3.911	40	30		FHEBRM
C=CCn1c(-c2ccccc2)cs/c1=N/c1ccc(S(=O)(=O)[O-])cc1	ZINC000102934571	206230950	/nfs/dbraw/zinc/23/09/50/206230950.db2.gz	LULYBIHFXKWWBQ-VHEBQXMUSA-N	-1	0	372.471	3.882	40	30		FHEBRM
O=C1c2ccccc2C/C1=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409373492	263552134	/nfs/dbraw/zinc/55/21/34/263552134.db2.gz	WQTIWTZHFWMWHL-UXBLZVDNSA-N	-1	0	360.163	3.885	40	30		FHEBRM
O=C([O-])CC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000095677018	570470897	/nfs/dbraw/zinc/47/08/97/570470897.db2.gz	PBCSXNBWNQQSMF-SCSAIBSYSA-N	-1	0	358.103	3.886	40	30		FHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(C)c(C)c(C)c1C#N	ZINC000005739443	570634589	/nfs/dbraw/zinc/63/45/89/570634589.db2.gz	DRJREBVJVURNLP-KRWDZBQOSA-N	-1	0	350.447	3.762	40	30		FHEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)o1	ZINC000408751059	570688971	/nfs/dbraw/zinc/68/89/71/570688971.db2.gz	VWQNOKGCVPKXMO-JMIUGGIZSA-N	-1	0	366.333	3.702	40	30		FHEBRM
CCN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccccc1	ZINC000408961152	570703424	/nfs/dbraw/zinc/70/34/24/570703424.db2.gz	ASTRTACVPQUYJX-DSGQZADNSA-N	-1	0	369.402	3.924	40	30		FHEBRM
C=CCc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1O	ZINC000409210212	570740606	/nfs/dbraw/zinc/74/06/06/570740606.db2.gz	JBPCCTTYGIPZJD-JMIUGGIZSA-N	-1	0	360.797	3.927	40	30		FHEBRM
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000409210003	570740608	/nfs/dbraw/zinc/74/06/08/570740608.db2.gz	IYCMOPVCJKLWNB-WSDLNYQXSA-N	-1	0	373.368	3.545	40	30		FHEBRM
COC(=O)c1cc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1Cl	ZINC000059678934	571092096	/nfs/dbraw/zinc/09/20/96/571092096.db2.gz	JYPQJBHXMDSXBU-JZOCJUILSA-N	-1	0	361.781	3.729	40	30		FHEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccncc2)cc1	ZINC000004526626	204144217	/nfs/dbraw/zinc/14/42/17/204144217.db2.gz	KPJFJUXLXFZKES-STZFKDTASA-N	-1	0	351.431	3.941	40	30		FHEBRM
CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)CC)cc2)c1[O-]	ZINC000005614552	204218207	/nfs/dbraw/zinc/21/82/07/204218207.db2.gz	RKXMYLKTWKONMA-YBFXNURJSA-N	-1	0	357.366	3.798	40	30		FHEBRM
O=c1c(N=Nc2ccc(F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000100417200	205943461	/nfs/dbraw/zinc/94/34/61/205943461.db2.gz	HVEZWAPZUJJJKB-XKZIYDEJSA-N	-1	0	350.275	3.559	40	30		FHEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccncc2)cc1	ZINC000104205902	206000154	/nfs/dbraw/zinc/00/01/54/206000154.db2.gz	KPJFJUXLXFZKES-KGENOOAVSA-N	-1	0	351.431	3.941	40	30		FHEBRM
C/C(=N\NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1	ZINC000104230818	205999432	/nfs/dbraw/zinc/99/94/32/205999432.db2.gz	JVJXSTOFYKNUMS-WSDLNYQXSA-N	-1	0	364.430	3.644	40	30		FHEBRM
O=C1/C(=N/[O-])c2ccccc2N1Cc1ccc(OCc2ccccc2)cc1	ZINC000007737786	206213135	/nfs/dbraw/zinc/21/31/35/206213135.db2.gz	JRTNHHLJAFBVSY-XTQSDGFTSA-N	-1	0	358.397	3.991	40	30		FHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc3c(c2)OCO3)c1[O-]	ZINC000013122673	206301206	/nfs/dbraw/zinc/30/12/06/206301206.db2.gz	KAADUPAVVYVWFP-SOFYXZRVSA-N	-1	0	365.139	3.542	40	30		FHEBRM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(Cl)c1C	ZINC000013943131	206308368	/nfs/dbraw/zinc/30/83/68/206308368.db2.gz	AYNCUGFMUYCSDX-SILNSSARSA-N	-1	0	371.784	3.747	40	30		FHEBRM
CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)[O-]	ZINC000009235588	263360706	/nfs/dbraw/zinc/36/07/06/263360706.db2.gz	QFUUKQLEPLGKDE-YVLHZVERSA-N	-1	0	356.399	3.878	40	30		FHEBRM
O=C([O-])c1cccc(-n2cccc2C=NNc2ccc([N+](=O)[O-])cc2)c1	ZINC000409107160	263527071	/nfs/dbraw/zinc/52/70/71/263527071.db2.gz	VLBMRTGAWIPTGW-XDHOZWIPSA-N	-1	0	350.334	3.530	40	30		FHEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)c(N(C)C)o1	ZINC000408854066	570692884	/nfs/dbraw/zinc/69/28/84/570692884.db2.gz	WWKWTPQIICRKAR-CAOOACKPSA-N	-1	0	351.200	3.865	40	30		FHEBRM
CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccccc1	ZINC000408962354	570703791	/nfs/dbraw/zinc/70/37/91/570703791.db2.gz	HRWXERVOZNKFRH-UZUODQGYSA-N	-1	0	355.375	3.534	40	30		FHEBRM
O=C([O-])c1ccc(COc2ccc(/C=N/O)cc2Br)cc1	ZINC000409075669	570719018	/nfs/dbraw/zinc/71/90/18/570719018.db2.gz	ZTBOYAMMUYFATL-CAOOACKPSA-N	-1	0	350.168	3.534	40	30		FHEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCOCC3)c(F)c2)ccc1Cl	ZINC000409133047	570730730	/nfs/dbraw/zinc/73/07/30/570730730.db2.gz	MDMUIJDBJBEFBM-NHDPSOOVSA-N	-1	0	362.788	3.765	40	30		FHEBRM
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000032099998	571310501	/nfs/dbraw/zinc/31/05/01/571310501.db2.gz	VZECXLKLVXUDHZ-YVMONPNESA-N	-1	0	361.169	3.896	40	30		FHEBRM
C/C(=N/NC(=S)Nc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1	ZINC000005502902	204211944	/nfs/dbraw/zinc/21/19/44/204211944.db2.gz	JVJXSTOFYKNUMS-UUYOSTAYSA-N	-1	0	364.430	3.644	40	30		FHEBRM
O=[N+]([O-])c1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000005569055	204215473	/nfs/dbraw/zinc/21/54/73/204215473.db2.gz	UBYGSTJSVWMVEN-VIZOYTHASA-N	-1	0	366.127	3.722	40	30		FHEBRM
O=C([O-])c1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1	ZINC000013138448	206301512	/nfs/dbraw/zinc/30/15/12/206301512.db2.gz	KYCXKIJFPCVASP-ODLFYWEKSA-N	-1	0	351.318	3.999	40	30		FHEBRM
COc1ccccc1CN/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000020761751	263381660	/nfs/dbraw/zinc/38/16/60/263381660.db2.gz	NGUKJLFMBVVSFP-LPYMAVHISA-N	-1	0	350.374	3.777	40	30		FHEBRM
COc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)c1	ZINC000409061766	570717657	/nfs/dbraw/zinc/71/76/57/570717657.db2.gz	HTDKOQRPYBAWGI-DOXJHMMXSA-N	-1	0	368.414	3.627	40	30		FHEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1	ZINC000409188102	570736549	/nfs/dbraw/zinc/73/65/49/570736549.db2.gz	ALFKARIEYUMTQR-SRZZPIQSSA-N	-1	0	355.390	3.774	40	30		FHEBRM
COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1O[C@@H](C)C(=O)[O-]	ZINC000409250101	570745771	/nfs/dbraw/zinc/74/57/71/570745771.db2.gz	PPGWTMLTZQQPJH-NJDFMEINSA-N	-1	0	358.350	3.514	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3c[nH]c4ccccc34)SC2=N)s1	ZINC000137991230	571310945	/nfs/dbraw/zinc/31/09/45/571310945.db2.gz	OALHGPOSDPNSQN-IWFHXNARSA-N	-1	0	354.460	4.000	40	30		FHEBRM
Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)cc1C	ZINC000005376843	204205876	/nfs/dbraw/zinc/20/58/76/204205876.db2.gz	MRGTZRDQRQDSJZ-YBEGLDIGSA-N	-1	0	352.415	3.893	40	30		FHEBRM
COc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000006182580	204239660	/nfs/dbraw/zinc/23/96/60/204239660.db2.gz	CYLNEOZUIBMWRA-LZYBPNLTSA-N	-1	0	351.156	3.822	40	30		FHEBRM
CC(=O)Nc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)cc1	ZINC000006686811	204260772	/nfs/dbraw/zinc/26/07/72/204260772.db2.gz	MNSSGCRKEJBXDX-YBFXNURJSA-N	-1	0	351.435	3.757	40	30		FHEBRM
CC/N=C1/S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N1CC	ZINC000100492464	206224209	/nfs/dbraw/zinc/22/42/09/206224209.db2.gz	SUNJRYRQKVTSKW-NIPZQEADSA-N	-1	0	370.430	3.957	40	30		FHEBRM
O=C([O-])c1ccccc1/C=N/NC(=S)Nc1ccccc1C(F)(F)F	ZINC000013338080	206301808	/nfs/dbraw/zinc/30/18/08/206301808.db2.gz	DNYJGOSHEANDQT-AWQFTUOYSA-N	-1	0	367.352	3.724	40	30		FHEBRM
COc1ccc(-c2[n-]n(-c3nc4ccccc4[nH]3)c(=O)c2CCC#N)cc1	ZINC000014607972	206312307	/nfs/dbraw/zinc/31/23/07/206312307.db2.gz	XBBANPMIAKZCIV-UHFFFAOYSA-N	-1	0	359.389	3.586	40	30		FHEBRM
CC#CC[C@@H](C)C(=O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064859018	519345412	/nfs/dbraw/zinc/34/54/12/519345412.db2.gz	LDICATDQJSBQOX-LSGSYHOHSA-N	-1	0	358.478	3.750	40	30	in-vitro	FHEBRM
CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1OC	ZINC000020932665	520643532	/nfs/dbraw/zinc/64/35/32/520643532.db2.gz	VFXMAEAQXJGBRP-XDHOZWIPSA-N	-1	0	354.435	3.897	40	30		FHEBRM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)c1ccc(Cl)cc1Cl	ZINC000016478684	527647842	/nfs/dbraw/zinc/64/78/42/527647842.db2.gz	HIPFASFKDLLJMG-HLRDLLSLSA-N	-1	0	364.228	3.975	40	30		FHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1	ZINC000408537569	570521569	/nfs/dbraw/zinc/52/15/69/570521569.db2.gz	WIBNUBFTICMQAW-OAHLLOKOSA-N	-1	0	369.808	3.558	40	30		FHEBRM
CCN1C(=O)/C(=C\c2ccc(O)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000035656809	570687462	/nfs/dbraw/zinc/68/74/62/570687462.db2.gz	MQMPIRJXQYLFHC-IXMFVRRYSA-N	-1	0	368.414	3.714	40	30		FHEBRM
C=CCc1cc(/C=N\c2ccc(N(C)C)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408851670	570692116	/nfs/dbraw/zinc/69/21/16/570692116.db2.gz	MANWSHNNJPGOKQ-XKZIYDEJSA-N	-1	0	368.433	3.704	40	30		FHEBRM
CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1cccc(F)c1	ZINC000408962717	570703864	/nfs/dbraw/zinc/70/38/64/570703864.db2.gz	JQLASVDCZWYYFU-ZBXSNYTOSA-N	-1	0	373.365	3.673	40	30		FHEBRM
COc1ccc(/N=C/c2ccc(O[C@H](C)C(=O)[O-])c(OC)c2)cc1Cl	ZINC000409013037	570712638	/nfs/dbraw/zinc/71/26/38/570712638.db2.gz	MAMBOSZMCLLQLV-JZOCJUILSA-N	-1	0	363.797	3.960	40	30		FHEBRM
C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409234501	570744548	/nfs/dbraw/zinc/74/45/48/570744548.db2.gz	LDROZIBPTBEIEJ-COOUDCDJSA-N	-1	0	368.414	3.786	40	30		FHEBRM
COC(=O)c1ccc(C)c(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000059678269	571092089	/nfs/dbraw/zinc/09/20/89/571092089.db2.gz	VIUAHJMEFXSQTR-AWQFTUOYSA-N	-1	0	361.781	3.649	40	30		FHEBRM
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000017075942	571275040	/nfs/dbraw/zinc/27/50/40/571275040.db2.gz	GOBRYYYVULIYOP-YIFBXAAPSA-N	-1	0	370.474	3.740	40	30		FHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc2c(cc1C#N)CCCC2	ZINC000105672130	571306773	/nfs/dbraw/zinc/30/67/73/571306773.db2.gz	SWZGMOLPSSHWHB-SFHVURJKSA-N	-1	0	362.458	3.715	40	30		FHEBRM
O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)c1ccc2ccccc2c1	ZINC000104237982	209259172	/nfs/dbraw/zinc/25/91/72/209259172.db2.gz	JXIJHIBMMXWBIK-WOJGMQOQSA-N	-1	0	359.341	3.879	40	30		FHEBRM
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@@H]1CC(=CO)C(=O)O2	ZINC000104052869	209258241	/nfs/dbraw/zinc/25/82/41/209258241.db2.gz	GVQAFQYHTSGAPN-PTXZXLSYSA-N	-1	0	360.450	3.997	40	30		FHEBRM
O=C([O-])COc1ccccc1CN=Nc1ncc(C(F)(F)F)cc1Cl	ZINC000005603633	207107970	/nfs/dbraw/zinc/10/79/70/207107970.db2.gz	JQQHWFBSVFZUIG-AERZKKPOSA-N	-1	0	373.718	3.663	40	30		FHEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccccc2N2CCOCC2)c1[O-]	ZINC000003191586	132384860	/nfs/dbraw/zinc/38/48/60/132384860.db2.gz	SRSTWDNZWYRKCI-YBFXNURJSA-N	-1	0	361.785	3.541	40	30		FHEBRM
C=CCc1cc(/C=N\c2cccc([N+](=O)[O-])c2)cc(OC)c1OCC(=O)[O-]	ZINC000408853890	263501780	/nfs/dbraw/zinc/50/17/80/263501780.db2.gz	ZFZLPSLXJJHHRQ-JAIQZWGSSA-N	-1	0	370.361	3.546	40	30		FHEBRM
COc1ccc(/N=C/c2cccc(OC)c2O[C@H](C)C(=O)[O-])cc1Cl	ZINC000409223474	263543596	/nfs/dbraw/zinc/54/35/96/263543596.db2.gz	ZQAGHNRKFMZUPC-JZOCJUILSA-N	-1	0	363.797	3.960	40	30		FHEBRM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1ccc(Cl)cc1Cl	ZINC000016478687	526306323	/nfs/dbraw/zinc/30/63/23/526306323.db2.gz	HIPFASFKDLLJMG-QWGSZXSUSA-N	-1	0	364.228	3.975	40	30		FHEBRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=CC(=O)c1ccc(Cl)cc1	ZINC000018098403	527646881	/nfs/dbraw/zinc/64/68/81/527646881.db2.gz	RMAASGYPYIMVKB-QZEKMECESA-N	-1	0	368.820	3.803	40	30		FHEBRM
O=[N+]([O-])c1ccc(OCc2cccc(Br)c2)c(/C=N/[O-])c1	ZINC000216853891	568146936	/nfs/dbraw/zinc/14/69/36/568146936.db2.gz	CDWPIYCXJLFHGD-LZYBPNLTSA-N	-1	0	351.156	3.744	40	30		FHEBRM
CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1	ZINC000223004563	568590120	/nfs/dbraw/zinc/59/01/20/568590120.db2.gz	CEJMODUJXWRCAT-UHFFFAOYSA-N	-1	0	350.827	3.606	40	30		FHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc(OC)c1O	ZINC000001261531	570496611	/nfs/dbraw/zinc/49/66/11/570496611.db2.gz	KKQPACSTVTYRPJ-ZDLGFXPLSA-N	-1	0	362.455	3.593	40	30		FHEBRM
CCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1C(=O)[O-]	ZINC000408531337	570512636	/nfs/dbraw/zinc/51/26/36/570512636.db2.gz	PJMAEKXIZCJDHL-WJDWOHSUSA-N	-1	0	368.414	3.675	40	30		FHEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc4ccccc43)C2=O)cc1	ZINC000408536338	570517756	/nfs/dbraw/zinc/51/77/56/570517756.db2.gz	QYHTWJOTVJRKDI-GOSISDBHSA-N	-1	0	371.396	3.750	40	30		FHEBRM
CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])cc1	ZINC000136782253	570630098	/nfs/dbraw/zinc/63/00/98/570630098.db2.gz	ILMINFQMTSJKJJ-OCLZBJRFSA-N	-1	0	359.476	3.917	40	30		FHEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccc2ccccc2c1	ZINC000408743042	570688131	/nfs/dbraw/zinc/68/81/31/570688131.db2.gz	YWPYCKQJBCHSOZ-MNOULKQQSA-N	-1	0	373.437	3.606	40	30		FHEBRM
CCOc1cc([N+](=O)[O-])cc(C=NNc2ccc(C(F)(F)F)cn2)c1[O-]	ZINC000409066392	570718583	/nfs/dbraw/zinc/71/85/83/570718583.db2.gz	ONJIXNRFHUBXEJ-IFRROFPPSA-N	-1	0	370.287	3.559	40	30		FHEBRM
Cc1ccc(C(=O)[O-])cc1-c1ccc(CN=Nc2ncccc2[N+](=O)[O-])o1	ZINC000409097257	570723065	/nfs/dbraw/zinc/72/30/65/570723065.db2.gz	HYWDTMHSWCOOPQ-KEBDBYFISA-N	-1	0	366.333	3.702	40	30		FHEBRM
O=C([O-])c1ccccc1-c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1	ZINC000113856064	570825813	/nfs/dbraw/zinc/82/58/13/570825813.db2.gz	LIGYRXAZAYRLMG-ODLFYWEKSA-N	-1	0	351.318	3.999	40	30		FHEBRM
CC(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000016575784	570858036	/nfs/dbraw/zinc/85/80/36/570858036.db2.gz	IWFXLXOPDSRVHU-RHLNUJDMSA-N	-1	0	365.458	3.576	40	30		FHEBRM
CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000016687949	570860445	/nfs/dbraw/zinc/86/04/45/570860445.db2.gz	NTTZIUYNOHNEEB-DQXUBXGMSA-N	-1	0	373.792	3.972	40	30		FHEBRM
C=CCn1c(-c2ccccc2)csc1=Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000016737558	571122833	/nfs/dbraw/zinc/12/28/33/571122833.db2.gz	LULYBIHFXKWWBQ-UHFFFAOYSA-O	-1	0	373.479	3.879	40	30		FHEBRM
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000005376837	207097528	/nfs/dbraw/zinc/09/75/28/207097528.db2.gz	JWAIBJHMJHRPEQ-WJDWOHSUSA-N	-1	0	368.414	3.675	40	30		FHEBRM
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCC2	ZINC000005897536	207122536	/nfs/dbraw/zinc/12/25/36/207122536.db2.gz	LMIIDBUTDNKZTA-AWBCAMRRSA-N	-1	0	370.474	3.740	40	30		FHEBRM
COc1cccc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1O[C@H](C)C(=O)[O-]	ZINC000409222033	263543386	/nfs/dbraw/zinc/54/33/86/263543386.db2.gz	BHKPCXBVBZSXIO-FGHSJCFPSA-N	-1	0	358.350	3.514	40	30		FHEBRM
N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005046250	570578912	/nfs/dbraw/zinc/57/89/12/570578912.db2.gz	UHVJKOBQDZBVID-RYUDHWBXSA-N	-1	0	364.854	3.671	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(C)c(OC)c3)SC2=N)s1	ZINC000136501670	570630021	/nfs/dbraw/zinc/63/00/21/570630021.db2.gz	PUPBISODLCBZKZ-FOCIWHPXSA-N	-1	0	359.476	3.835	40	30		FHEBRM
CCOc1cc(C=NNc2nc3ccccc3n2CC)cc([N+](=O)[O-])c1[O-]	ZINC000408692231	570649234	/nfs/dbraw/zinc/64/92/34/570649234.db2.gz	HVGTUJHKDRRPCU-YBFXNURJSA-N	-1	0	369.381	3.515	40	30		FHEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1cccc2ccccc21	ZINC000408739528	570687681	/nfs/dbraw/zinc/68/76/81/570687681.db2.gz	CLLIXSVSAWRLPU-NEIHUHTASA-N	-1	0	373.437	3.606	40	30		FHEBRM
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(C(=O)[O-])c1	ZINC000409099656	570724022	/nfs/dbraw/zinc/72/40/22/570724022.db2.gz	RRNZUIQNYSFSMN-FYJGNVAPSA-N	-1	0	354.406	3.753	40	30		FHEBRM
COc1ccc(/C=N\c2ccc(Br)cc2C(=O)[O-])c(OC)c1	ZINC000016215457	570852399	/nfs/dbraw/zinc/85/23/99/570852399.db2.gz	GKKHROPWWMDIFW-NVMNQCDNSA-N	-1	0	364.195	3.915	40	30		FHEBRM
C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(S(=O)(=O)[O-])cc1	ZINC000012590068	571118454	/nfs/dbraw/zinc/11/84/54/571118454.db2.gz	LULYBIHFXKWWBQ-HNENSFHCSA-N	-1	0	372.471	3.882	40	30		FHEBRM
N#CC1=CC(=NN=c2s[nH]c3ccc(S(=O)(=O)[O-])cc32)C=CC1=O	ZINC000016384313	571177699	/nfs/dbraw/zinc/17/76/99/571177699.db2.gz	DKPBOMXXGHGDSA-WUKNDPDISA-N	-1	0	360.376	3.536	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc4c(cc3C)OCO4)SC2=N)s1	ZINC000137628364	571311049	/nfs/dbraw/zinc/31/10/49/571311049.db2.gz	NFAHMHWMCPTYMJ-NLSWNUPLSA-N	-1	0	373.459	3.555	40	30		FHEBRM
CC(=O)C=C([O-])[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000100045370	209207804	/nfs/dbraw/zinc/20/78/04/209207804.db2.gz	WKZWQTGKGJHUHH-YFKPBYRVSA-N	-1	0	370.114	3.570	40	30		FHEBRM
CC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C1	ZINC000004628791	207034698	/nfs/dbraw/zinc/03/46/98/207034698.db2.gz	QAGUHPZMIFAYBW-YUTCNCBUSA-N	-1	0	360.479	3.964	40	30		FHEBRM
CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1	ZINC000005376836	207096790	/nfs/dbraw/zinc/09/67/90/207096790.db2.gz	VBRDRSRWONVVJV-WJDWOHSUSA-N	-1	0	368.414	3.675	40	30		FHEBRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=CC(=O)c1ccc(Cl)cc1	ZINC000019594492	263374468	/nfs/dbraw/zinc/37/44/68/263374468.db2.gz	RMAASGYPYIMVKB-BBVFFXRHSA-N	-1	0	368.820	3.803	40	30		FHEBRM
[S-]c1ccccc1/N=C/c1cc(Br)c(N2CCOCC2)o1	ZINC000059678551	263421903	/nfs/dbraw/zinc/42/19/03/263421903.db2.gz	NIDPPCLMBNMOAP-LICLKQGHSA-N	-1	0	367.268	3.918	40	30		FHEBRM
COc1cc(N2CCOCC2)ccc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000409233780	263544915	/nfs/dbraw/zinc/54/49/15/263544915.db2.gz	XDXBTJNTRUPYSG-CIAFOILYSA-N	-1	0	374.824	3.634	40	30		FHEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000005723752	560202717	/nfs/dbraw/zinc/20/27/17/560202717.db2.gz	VDYLVWGBLQNNAW-VLXQCQHTSA-N	-1	0	361.482	3.767	40	30	in-vitro	FHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)ccc1OC(C)=O	ZINC000001478511	570501459	/nfs/dbraw/zinc/50/14/59/570501459.db2.gz	QNLDZPSAJWBOTF-ODLFYWEKSA-N	-1	0	374.466	3.804	40	30		FHEBRM
CCOc1cccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])c1	ZINC000136636139	570630152	/nfs/dbraw/zinc/63/01/52/570630152.db2.gz	MSJLPSJZSOHBQO-OCLZBJRFSA-N	-1	0	359.476	3.917	40	30		FHEBRM
O=[N+]([O-])c1ccc(N=NCc2cc(Cl)cc(Br)c2[O-])nc1	ZINC000408749433	570689666	/nfs/dbraw/zinc/68/96/66/570689666.db2.gz	GTSGKAIMDVNQHU-BNCCVWRVSA-N	-1	0	371.578	3.557	40	30		FHEBRM
O=[N+]([O-])c1cc(/C=N\c2cccc(I)c2)ccc1[O-]	ZINC000408905118	570696646	/nfs/dbraw/zinc/69/66/46/570696646.db2.gz	TYIQWDJZNVDHGX-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
CCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000016687950	570860403	/nfs/dbraw/zinc/86/04/03/570860403.db2.gz	NTTZIUYNOHNEEB-XZGNNNQISA-N	-1	0	373.792	3.972	40	30		FHEBRM
COc1cc(Br)cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c1O	ZINC000026465282	571149194	/nfs/dbraw/zinc/14/91/94/571149194.db2.gz	UHRKCMLQDAXPPH-FRKPEAEDSA-N	-1	0	367.155	3.528	40	30		FHEBRM
CCOCC(C)(C)[C@H](O)/C=C\[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000299888372	571204081	/nfs/dbraw/zinc/20/40/81/571204081.db2.gz	HCTZKPLQIGQRPR-WJTARPICSA-N	-1	0	364.482	3.539	40	30		FHEBRM
O=C([O-])C(C(=O)/C=C/c1ccc(Br)cc1)=C1SCCS1	ZINC000062716073	571319849	/nfs/dbraw/zinc/31/98/49/571319849.db2.gz	BJFKPRIQZODZLK-ZZXKWVIFSA-N	-1	0	371.277	3.808	40	30		FHEBRM
CCCc1nc(SCc2ccc(Cl)c([N+](=O)[O-])c2)[n-]c(=O)c1C#N	ZINC000255190221	571321061	/nfs/dbraw/zinc/32/10/61/571321061.db2.gz	VSLJSLILWMWXJV-UHFFFAOYSA-N	-1	0	364.814	3.860	40	30		FHEBRM
N#Cc1cnc([S-])n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=N	ZINC000103055922	209245836	/nfs/dbraw/zinc/24/58/36/209245836.db2.gz	DZPGCZAJYOGFLR-UHFFFAOYSA-N	-1	0	364.274	3.550	40	30		FHEBRM
Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)c1C	ZINC000005376838	207096646	/nfs/dbraw/zinc/09/66/46/207096646.db2.gz	QLJNWUNTJRYZRB-YBEGLDIGSA-N	-1	0	352.415	3.893	40	30		FHEBRM
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000005372899	207097155	/nfs/dbraw/zinc/09/71/55/207097155.db2.gz	WLTIQQVPQMDHJP-WJDWOHSUSA-N	-1	0	352.415	3.839	40	30		FHEBRM
Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000038175376	207890361	/nfs/dbraw/zinc/89/03/61/207890361.db2.gz	YDWXELOINWWRDU-REZTVBANSA-N	-1	0	364.745	3.925	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(Br)cc2F)c1	ZINC000036028930	208141779	/nfs/dbraw/zinc/14/17/79/208141779.db2.gz	GDSZQEFJHBVLBV-FRKPEAEDSA-N	-1	0	354.135	3.648	40	30		FHEBRM
CN(C)c1ccc(/C=N/c2ccc3c(O)cc(S(=O)(=O)[O-])cc3c2)cc1	ZINC000001669814	263144199	/nfs/dbraw/zinc/14/41/99/263144199.db2.gz	WJRISLCESOLFPX-UDWIEESQSA-N	-1	0	370.430	3.609	40	30		FHEBRM
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=N/[O-])cc1	ZINC000409044833	263518756	/nfs/dbraw/zinc/51/87/56/263518756.db2.gz	DPOGTQODJFFCGJ-CAOOACKPSA-N	-1	0	360.218	3.878	40	30		FHEBRM
CCCCCCCCCCCCCC(=O)c1c([O-])[nH]c(=O)n(C)c1=O	ZINC000100930140	519989097	/nfs/dbraw/zinc/98/90/97/519989097.db2.gz	DEBIIRPCPNLGGG-UHFFFAOYSA-N	-1	0	352.475	3.663	40	30		FHEBRM
COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)C(C)C)c2)c1[O-]	ZINC000005841374	522974211	/nfs/dbraw/zinc/97/42/11/522974211.db2.gz	HUBURKFCGWJWDM-VXLYETTFSA-N	-1	0	357.366	3.654	40	30		FHEBRM
Cn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000408669150	570627796	/nfs/dbraw/zinc/62/77/96/570627796.db2.gz	WXBKHBYSSHKCRK-CIAFOILYSA-N	-1	0	360.373	3.978	40	30		FHEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000004029399	570663498	/nfs/dbraw/zinc/66/34/98/570663498.db2.gz	RLZYCYTZQGHRMD-AXPKERNXSA-N	-1	0	373.493	3.933	40	30		FHEBRM
C=CCc1cc(/C=N\c2ccc(OC)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408843536	570691163	/nfs/dbraw/zinc/69/11/63/570691163.db2.gz	FUMLXKLTGXVPID-MTJSOVHGSA-N	-1	0	355.390	3.646	40	30		FHEBRM
O=[N+]([O-])c1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000409071569	570719558	/nfs/dbraw/zinc/71/95/58/570719558.db2.gz	HGUFXNURXLJRDV-CHHVJCJISA-N	-1	0	366.127	3.722	40	30		FHEBRM
C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000409105689	570726588	/nfs/dbraw/zinc/72/65/88/570726588.db2.gz	JCYFLOWGQVLOJV-IEMQHYRPSA-N	-1	0	368.414	3.786	40	30		FHEBRM
COc1ccc(/N=C/c2cccc(OC)c2O[C@@H](C)C(=O)[O-])cc1Cl	ZINC000409223476	570742714	/nfs/dbraw/zinc/74/27/14/570742714.db2.gz	ZQAGHNRKFMZUPC-KKBVUKDESA-N	-1	0	363.797	3.960	40	30		FHEBRM
COC(=O)c1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1Cl	ZINC000059248502	571088581	/nfs/dbraw/zinc/08/85/81/571088581.db2.gz	UJNNLNNSUSMIOE-KKBVUKDESA-N	-1	0	361.781	3.729	40	30		FHEBRM
N#C[C@@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c([O-])c2C12CCCCC2	ZINC000001439892	571103076	/nfs/dbraw/zinc/10/30/76/571103076.db2.gz	OWNFXTPKNHAQEC-CYBMUJFWSA-N	-1	0	366.442	3.978	40	30		FHEBRM
CC#CC[C@@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064857583	571244810	/nfs/dbraw/zinc/24/48/10/571244810.db2.gz	HIFJCPQKFCZDDL-FDSXTFMTSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
C#CCOc1ccc(Br)cc1CNc1cccc(C(=O)[O-])c1	ZINC000315675962	571281600	/nfs/dbraw/zinc/28/16/00/571281600.db2.gz	QWUASMCORDMZBF-UHFFFAOYSA-N	-1	0	360.207	3.771	40	30		FHEBRM
O=C(Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]c1=O)c1ccc(F)cc1	ZINC000104238040	209259334	/nfs/dbraw/zinc/25/93/34/209259334.db2.gz	NVAITYQBMOOQEG-GHXNOFRVSA-N	-1	0	361.716	3.518	40	30		FHEBRM
CCn1c(=O)c(C(=O)/C=C/c2ccc(N(C)C)cc2)c([O-])c2ccccc21	ZINC000100192694	209210265	/nfs/dbraw/zinc/21/02/65/209210265.db2.gz	PFXVQHKQXNRREN-SDNWHVSQSA-N	-1	0	362.429	3.689	40	30		FHEBRM
CC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1	ZINC000004611769	207032471	/nfs/dbraw/zinc/03/24/71/207032471.db2.gz	KQWSFSCGHQOOKF-YUTCNCBUSA-N	-1	0	358.463	3.740	40	30		FHEBRM
CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1cccc(C)n1	ZINC000005520373	207104157	/nfs/dbraw/zinc/10/41/57/207104157.db2.gz	SNWYTOBGAVEXRF-ZJCTVUPVSA-N	-1	0	367.430	3.712	40	30		FHEBRM
N#Cc1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000005725620	207115355	/nfs/dbraw/zinc/11/53/55/207115355.db2.gz	BUFIZIKZFCQXPW-OVTCNUJSSA-N	-1	0	358.463	3.574	40	30		FHEBRM
Cc1ccccc1/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2[O-])S1	ZINC000005756127	263342915	/nfs/dbraw/zinc/34/29/15/263342915.db2.gz	MVPSOBAAIUTIJM-DHDCSXOGSA-N	-1	0	355.375	3.500	40	30		FHEBRM
C=CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)SC1=S	ZINC000409108726	263526945	/nfs/dbraw/zinc/52/69/45/263526945.db2.gz	VOUSMLRPMARXEF-PTNGSMBKSA-N	-1	0	370.455	3.563	40	30		FHEBRM
CCCCCC(=O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000100598502	519921265	/nfs/dbraw/zinc/92/12/65/519921265.db2.gz	VXPBDCBTMSKCKZ-ORNYFODRSA-N	-1	0	352.471	3.683	40	30		FHEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2ccccn2)cc1	ZINC000104094084	525615665	/nfs/dbraw/zinc/61/56/65/525615665.db2.gz	KQKRLPKEZCTVEE-STZFKDTASA-N	-1	0	351.431	3.941	40	30		FHEBRM
Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(C(=O)[O-])cc1	ZINC000003026234	570550126	/nfs/dbraw/zinc/55/01/26/570550126.db2.gz	ZQALTGRMZXLAFF-FOKLQQMPSA-N	-1	0	370.368	3.822	40	30		FHEBRM
N#C[C@@H]1C2=C(CCCC2)S[C@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408740767	570687631	/nfs/dbraw/zinc/68/76/31/570687631.db2.gz	MHSDCHVBXMYXNY-YZLDLZEOSA-N	-1	0	374.378	3.668	40	30		FHEBRM
C=CCc1cc(C=Nc2cccc(C(C)=O)c2)cc(OC)c1OCC(=O)[O-]	ZINC000408846503	570691634	/nfs/dbraw/zinc/69/16/34/570691634.db2.gz	NSBRBRJTWKGQCG-WSDLNYQXSA-N	-1	0	367.401	3.840	40	30		FHEBRM
O=C([O-])COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl	ZINC000408939131	570701695	/nfs/dbraw/zinc/70/16/95/570701695.db2.gz	IAJGZMIPTWTWMH-MPUCSWFWSA-N	-1	0	373.718	3.663	40	30		FHEBRM
COc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409011839	570712647	/nfs/dbraw/zinc/71/26/47/570712647.db2.gz	IUDYLBKXIHYYHA-ZTPSMGMTSA-N	-1	0	358.350	3.514	40	30		FHEBRM
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409021186	570713494	/nfs/dbraw/zinc/71/34/94/570713494.db2.gz	YUOOVMRYAQKWPZ-NJDFMEINSA-N	-1	0	358.350	3.514	40	30		FHEBRM
CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064858027	571072874	/nfs/dbraw/zinc/07/28/74/571072874.db2.gz	HIFJCPQKFCZDDL-LPATUSFJSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
CC#CC[C@H](C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2C/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000299888388	571110104	/nfs/dbraw/zinc/11/01/04/571110104.db2.gz	HIFJCPQKFCZDDL-RIUPQNSPSA-N	-1	0	360.494	3.541	40	30		FHEBRM
O=C(N(O)c1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1	ZINC000001648069	571235501	/nfs/dbraw/zinc/23/55/01/571235501.db2.gz	BXRDPFUDDFOFSK-UHFFFAOYSA-N	-1	0	353.805	3.998	40	30		FHEBRM
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@@H]1CC(=CO)C(=O)O2	ZINC000104052875	209258424	/nfs/dbraw/zinc/25/84/24/209258424.db2.gz	GVQAFQYHTSGAPN-JKIMSWRWSA-N	-1	0	360.450	3.997	40	30		FHEBRM
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)[O-])C=C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000036493758	207284602	/nfs/dbraw/zinc/28/46/02/207284602.db2.gz	RLZYCYTZQGHRMD-LBSQEVOPSA-N	-1	0	373.493	3.933	40	30		FHEBRM
COc1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000083262394	208307175	/nfs/dbraw/zinc/30/71/75/208307175.db2.gz	XUVNAXPFOYQJLR-PXNMLYILSA-N	-1	0	351.156	3.822	40	30		FHEBRM
COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1OCC(=O)[O-]	ZINC000409142692	263533326	/nfs/dbraw/zinc/53/33/26/263533326.db2.gz	CVAPEYWJWWNPCB-IFRROFPPSA-N	-1	0	362.769	3.644	40	30		FHEBRM
Cc1ccc(-n2nc(C(=O)[O-])c(/C=C/c3ccccc3)c(C#N)c2=O)cc1C	ZINC000409197407	263539555	/nfs/dbraw/zinc/53/95/55/263539555.db2.gz	DTXODTDTICFJAB-PKNBQFBNSA-N	-1	0	371.396	3.590	40	30		FHEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1	ZINC000225057067	519058166	/nfs/dbraw/zinc/05/81/66/519058166.db2.gz	MYYQUVNIPPSQKD-UHFFFAOYSA-N	-1	0	353.827	3.714	40	30		FHEBRM
CC#CC[C@H](C)C(=O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064859028	519346844	/nfs/dbraw/zinc/34/68/44/519346844.db2.gz	LDICATDQJSBQOX-FPFHKQMBSA-N	-1	0	358.478	3.750	40	30	in-vitro	FHEBRM
CCCCCCCCSCCOC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000104161918	520045981	/nfs/dbraw/zinc/04/59/81/520045981.db2.gz	KNFNYSLYXVWHQC-FZKCQIBNSA-N	-1	0	358.500	3.502	40	30		FHEBRM
O=C(N=S(=O)([O-])c1ccc2c(c1)CCC2)Nc1ccc(Cl)cc1	ZINC000000538395	570438106	/nfs/dbraw/zinc/43/81/06/570438106.db2.gz	JQJSFAJISYZPER-UHFFFAOYSA-N	-1	0	350.827	3.544	40	30	in-man	FHEBRM
Cn1cc(S(=O)([O-])=NC(=O)Nc2ccc(Cl)cc2)c2ccccc21	ZINC000001642407	570503633	/nfs/dbraw/zinc/50/36/33/570503633.db2.gz	QRSQPLAOVPDPAZ-UHFFFAOYSA-N	-1	0	363.826	3.547	40	30		FHEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)o1	ZINC000408750441	570689189	/nfs/dbraw/zinc/68/91/89/570689189.db2.gz	MZYSIIWYGMDCMN-JMIUGGIZSA-N	-1	0	366.333	3.702	40	30		FHEBRM
O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)cc(Br)c1[O-]	ZINC000409071241	570719394	/nfs/dbraw/zinc/71/93/94/570719394.db2.gz	GECQHSKQWRVDIX-OMCISZLKSA-N	-1	0	371.578	3.557	40	30		FHEBRM
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccccc2F)cc1	ZINC000100409894	570760338	/nfs/dbraw/zinc/76/03/38/570760338.db2.gz	IBIIFFVCGOJXLU-CIAFOILYSA-N	-1	0	355.394	3.772	40	30		FHEBRM
CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)c3ccc(O)cc3)[C@H]21	ZINC000005527816	570961507	/nfs/dbraw/zinc/96/15/07/570961507.db2.gz	NZRACXOBLXBSFK-RSBIIAMVSA-N	-1	0	374.477	3.672	40	30		FHEBRM
CC#CC[C@@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000021982946	571145735	/nfs/dbraw/zinc/14/57/35/571145735.db2.gz	HIFJCPQKFCZDDL-RSZAQHQASA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(Cl)ccc3O)SC2=N)s1	ZINC000107943018	571310834	/nfs/dbraw/zinc/31/08/34/571310834.db2.gz	RSESGAZFEOLSMV-JCMTWJOCSA-N	-1	0	365.867	3.877	40	30		FHEBRM
CCn1c2ccccc2c([O-])c(/C(C)=N/c2cccc([N+](=O)[O-])c2)c1=O	ZINC000101161105	209221765	/nfs/dbraw/zinc/22/17/65/209221765.db2.gz	OUBGDLVPGSMAHZ-UDWIEESQSA-N	-1	0	351.362	3.776	40	30		FHEBRM
O=C([O-])C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCCCS1	ZINC000005944429	207124249	/nfs/dbraw/zinc/12/42/49/207124249.db2.gz	FJFFSRCZVRQMDJ-VOTSOKGWSA-N	-1	0	365.432	3.734	40	30		FHEBRM
COc1cccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000006182421	207131724	/nfs/dbraw/zinc/13/17/24/207131724.db2.gz	YXWCRZLQILFIOP-LZYBPNLTSA-N	-1	0	351.156	3.822	40	30		FHEBRM
CCCC(=O)Nc1ccc(-c2csc([N-]N=C(C)C(=O)OCC)n2)cc1	ZINC000006782918	207165156	/nfs/dbraw/zinc/16/51/56/207165156.db2.gz	ZUOPOWUVEIAREU-CIAFOILYSA-N	-1	0	374.466	3.900	40	30		FHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C	ZINC000408534145	570515647	/nfs/dbraw/zinc/51/56/47/570515647.db2.gz	LNLCZJDVZMGHOY-MRXNPFEDSA-N	-1	0	369.808	3.558	40	30		FHEBRM
COc1ccc([N+](=O)[O-])cc1/N=C\c1cccn1-c1ccc(C(=O)[O-])cc1	ZINC000408943829	570702046	/nfs/dbraw/zinc/70/20/46/570702046.db2.gz	ZDLGZMHWDYQPCY-NDENLUEZSA-N	-1	0	365.345	3.843	40	30		FHEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/N2C(=O)c3ccccc3C2=O)o1	ZINC000408959610	570702888	/nfs/dbraw/zinc/70/28/88/570702888.db2.gz	BXAJXYCUKCXFJG-SSDVNMTOSA-N	-1	0	374.352	3.583	40	30		FHEBRM
COc1ccc(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)cc1Cl	ZINC000409013040	570712643	/nfs/dbraw/zinc/71/26/43/570712643.db2.gz	MAMBOSZMCLLQLV-KKBVUKDESA-N	-1	0	363.797	3.960	40	30		FHEBRM
O=C1c2ccccc2C/C1=C\c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409369462	570753715	/nfs/dbraw/zinc/75/37/15/570753715.db2.gz	OHZYRSYJDDWSAT-UXBLZVDNSA-N	-1	0	360.163	3.885	40	30		FHEBRM
COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409369261	570753880	/nfs/dbraw/zinc/75/38/80/570753880.db2.gz	JHMWRWXUXPLYLN-AWNIVKPZSA-N	-1	0	358.777	3.634	40	30		FHEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccc(I)cc2)c1[O-]	ZINC000004530097	570774150	/nfs/dbraw/zinc/77/41/50/570774150.db2.gz	MVGWZJYGXYMEQR-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C/CCCC(=O)[O-])C[C@H]21	ZINC000252286729	571139898	/nfs/dbraw/zinc/13/98/98/571139898.db2.gz	HIFJCPQKFCZDDL-HZDXRQEKSA-N	-1	0	360.494	3.541	40	30		FHEBRM
N#Cc1c(SCCC(=O)c2ccc(F)cc2)sc2c1[nH]c(=O)cc2[O-]	ZINC000004945720	209429772	/nfs/dbraw/zinc/42/97/72/209429772.db2.gz	DZHMHFFZGOZTRH-UHFFFAOYSA-N	-1	0	374.418	3.671	40	30		FHEBRM
O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)c1cccc2ccccc21	ZINC000104237966	209259722	/nfs/dbraw/zinc/25/97/22/209259722.db2.gz	XJVZORAIIARGCT-WOJGMQOQSA-N	-1	0	359.341	3.879	40	30		FHEBRM
CCCCCCCCCC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC000104210093	209259561	/nfs/dbraw/zinc/25/95/61/209259561.db2.gz	WKVOECQBWDOIBJ-CYBMUJFWSA-N	-1	0	371.503	3.837	40	30		FHEBRM
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CCC(=O)[O-]	ZINC000006067483	207127435	/nfs/dbraw/zinc/12/74/35/207127435.db2.gz	PBKZPPIHUVSDNM-LHZXLZLDSA-N	-1	0	358.478	3.890	40	30		FHEBRM
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)/C(=N/[O-])S1	ZINC000036633745	208168301	/nfs/dbraw/zinc/16/83/01/208168301.db2.gz	VPENRRTVRRIZGF-NNLSSIJJSA-N	-1	0	366.402	3.596	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccc(I)cc2)c1	ZINC000039944671	208213464	/nfs/dbraw/zinc/21/34/64/208213464.db2.gz	GDYAMKYKYQKABR-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
O=C([O-])c1ccc(/C=N/n2cnnc2SCc2ccc(Cl)cc2)cc1	ZINC000005236484	263339467	/nfs/dbraw/zinc/33/94/67/263339467.db2.gz	IMHXVNNCJBGHPD-AWQFTUOYSA-N	-1	0	372.837	3.804	40	30		FHEBRM
CC#CC[C@@H](C)C(=O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064859025	519344024	/nfs/dbraw/zinc/34/40/24/519344024.db2.gz	LDICATDQJSBQOX-XYOIATKBSA-N	-1	0	358.478	3.750	40	30	in-vitro	FHEBRM
N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005046252	570578953	/nfs/dbraw/zinc/57/89/53/570578953.db2.gz	UHVJKOBQDZBVID-VXGBXAGGSA-N	-1	0	364.854	3.671	40	30		FHEBRM
N=C1SC(=Cc2ccc(Br)o2)C([O-])=C1c1nccs1	ZINC000137029617	570630613	/nfs/dbraw/zinc/63/06/13/570630613.db2.gz	FMASUBQOTWOFME-YNKQSMSHSA-N	-1	0	355.238	3.916	40	30		FHEBRM
O=C([O-])c1ccccc1/C=N/N1C(=O)CS/C1=N\c1ccc(Cl)cc1	ZINC000001084139	570642038	/nfs/dbraw/zinc/64/20/38/570642038.db2.gz	ROLUMSOCFTVAKA-MQUOELAISA-N	-1	0	373.821	3.635	40	30		FHEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408961203	570703248	/nfs/dbraw/zinc/70/32/48/570703248.db2.gz	LGIPWQJRJIZYNH-NTEUORMPSA-N	-1	0	355.375	3.500	40	30		FHEBRM
CN1C(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC1=Nc1ccc(F)cc1	ZINC000408962629	570703739	/nfs/dbraw/zinc/70/37/39/570703739.db2.gz	IOPXAMNWNGRTCJ-ZMMCEODWSA-N	-1	0	373.365	3.673	40	30		FHEBRM
CC(N=Nc1nc2ccccc2o1)N=Nc1cccc(S(=O)(=O)[O-])c1	ZINC000100884136	570762995	/nfs/dbraw/zinc/76/29/95/570762995.db2.gz	HGOAONCFDNMIQY-MNVAPZAZSA-N	-1	0	359.367	3.604	40	30		FHEBRM
O=C([O-])c1ccnc([C@H]2CCCC/C2=N\NC(=S)Nc2ccccc2)c1	ZINC000016778483	570861875	/nfs/dbraw/zinc/86/18/75/570861875.db2.gz	DNRABLMEJVUCPH-QIIGAIICSA-N	-1	0	368.462	3.780	40	30		FHEBRM
COC(=O)c1cccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)c1C	ZINC000059247942	571088504	/nfs/dbraw/zinc/08/85/04/571088504.db2.gz	TYYKGSPJDIEWKK-AWQFTUOYSA-N	-1	0	361.781	3.649	40	30		FHEBRM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000001013454	571143422	/nfs/dbraw/zinc/14/34/22/571143422.db2.gz	VOIAOIUCLHQIEE-OVCLIPMQSA-N	-1	0	366.446	3.927	40	30		FHEBRM
C[C@@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CCC(=O)[O-]	ZINC000256073311	571167244	/nfs/dbraw/zinc/16/72/44/571167244.db2.gz	PBKZPPIHUVSDNM-CJBPLUAASA-N	-1	0	358.478	3.890	40	30		FHEBRM
C[C@@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)CCC(=O)[O-]	ZINC000256073308	571167320	/nfs/dbraw/zinc/16/73/20/571167320.db2.gz	PBKZPPIHUVSDNM-BXOMYGOZSA-N	-1	0	358.478	3.890	40	30		FHEBRM
C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)CCC(=O)[O-]	ZINC000256073312	571167335	/nfs/dbraw/zinc/16/73/35/571167335.db2.gz	PBKZPPIHUVSDNM-NDDOAYCYSA-N	-1	0	358.478	3.890	40	30		FHEBRM
N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cc(Cl)ccc1[O-]	ZINC000408720591	571319389	/nfs/dbraw/zinc/31/93/89/571319389.db2.gz	WEASQWZUYUQXDO-UHFFFAOYSA-N	-1	0	359.776	3.839	40	30		FHEBRM
Cc1cccc(O)c1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000003090390	571344654	/nfs/dbraw/zinc/34/46/54/571344654.db2.gz	SNWKNGZNSQVMHJ-FRKPEAEDSA-N	-1	0	351.156	3.828	40	30		FHEBRM
Cc1cc2c(o1)c([O-])c1c(c2O)C(=O)C(=O)C2C(C)(C)C(=O)CC[C@]12C	ZINC000064559157	221147459	/nfs/dbraw/zinc/14/74/59/221147459.db2.gz	HFFLVZDJWZPGCS-HXUWFJFHSA-N	-1	0	356.374	3.808	40	30		FHEBRM
O=C([O-])C(F)(F)C(F)(F)C(F)(F)O[C@@](F)(Cl)C(F)(F)Cl	ZINC000100045801	222232841	/nfs/dbraw/zinc/23/28/41/222232841.db2.gz	LXQALNRZYKVNKJ-RXMQYKEDSA-N	-1	0	362.959	3.645	40	30		FHEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(OCC(=O)OC(C)C)cc1	ZINC000409187606	263538641	/nfs/dbraw/zinc/53/86/41/263538641.db2.gz	SJBCTAQGJAYWTO-NHDPSOOVSA-N	-1	0	355.390	3.774	40	30		FHEBRM
C=CCOc1c(I)cc(C(C)(C)C)cc1C(=O)[O-]	ZINC000225284095	519005117	/nfs/dbraw/zinc/00/51/17/519005117.db2.gz	MYQGEHLPUAMDIX-UHFFFAOYSA-N	-1	0	360.191	3.852	40	30		FHEBRM
CC#CC[C@H](C)C(=O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064859022	519346491	/nfs/dbraw/zinc/34/64/91/519346491.db2.gz	LDICATDQJSBQOX-ZCYVEMMBSA-N	-1	0	358.478	3.750	40	30	in-vitro	FHEBRM
CCOCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000034778499	521671658	/nfs/dbraw/zinc/67/16/58/521671658.db2.gz	HCTZKPLQIGQRPR-XWGDGUDISA-N	-1	0	364.482	3.539	40	30	in-man	FHEBRM
Cc1cc(N(C)/N=C/c2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2[O-])n1	ZINC000004713186	570670984	/nfs/dbraw/zinc/67/09/84/570670984.db2.gz	SVXNGJNYKCSGHB-UDWIEESQSA-N	-1	0	363.377	3.536	40	30		FHEBRM
COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1	ZINC000035656887	570687693	/nfs/dbraw/zinc/68/76/93/570687693.db2.gz	CFXLDPFMEPHVGK-IXMFVRRYSA-N	-1	0	368.414	3.627	40	30		FHEBRM
O=[N+]([O-])c1cccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])c1	ZINC000409068095	570718638	/nfs/dbraw/zinc/71/86/38/570718638.db2.gz	SRYAHOSFHKRPCE-CHHVJCJISA-N	-1	0	366.127	3.722	40	30		FHEBRM
CC1=NOC(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409089338	570722099	/nfs/dbraw/zinc/72/20/99/570722099.db2.gz	ISHZWMVJFOJOSW-SXGWCWSVSA-N	-1	0	371.776	3.933	40	30		FHEBRM
COc1ccc(Cl)cc1/N=C/c1cccc(OC)c1O[C@H](C)C(=O)[O-]	ZINC000409220563	570742202	/nfs/dbraw/zinc/74/22/02/570742202.db2.gz	BNZOPUGZWOFGBI-JZOCJUILSA-N	-1	0	363.797	3.960	40	30		FHEBRM
COc1cccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1	ZINC000004147898	570772673	/nfs/dbraw/zinc/77/26/73/570772673.db2.gz	YGNPPXGOFQXQIJ-KGENOOAVSA-N	-1	0	367.430	3.642	40	30		FHEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118916948	570870439	/nfs/dbraw/zinc/87/04/39/570870439.db2.gz	VDYLVWGBLQNNAW-XNFMTUAMSA-N	-1	0	361.482	3.767	40	30		FHEBRM
C[Si](C)(C)C#Cc1c(F)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000255189139	571059093	/nfs/dbraw/zinc/05/90/93/571059093.db2.gz	NZHICSFOBHIEJA-UHFFFAOYSA-N	-1	0	361.420	3.542	40	30		FHEBRM
Cc1ccccc1NN=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000038160406	571085160	/nfs/dbraw/zinc/08/51/60/571085160.db2.gz	XOZSBNXQARDXKE-LZYBPNLTSA-N	-1	0	350.172	3.817	40	30		FHEBRM
N#Cc1c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])sc2c1CCCC2	ZINC000059418839	571090422	/nfs/dbraw/zinc/09/04/22/571090422.db2.gz	KWCAHIRQVSREKA-QGMBQPNBSA-N	-1	0	372.362	3.771	40	30		FHEBRM
CC(N=Nc1nc2ccccc2o1)N=Nc1cccc(S(=O)(=O)[O-])c1	ZINC000085932602	571110056	/nfs/dbraw/zinc/11/00/56/571110056.db2.gz	HGOAONCFDNMIQY-HMDIFATOSA-N	-1	0	359.367	3.604	40	30		FHEBRM
Cc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccccc3C)nc2C(=O)[O-])cc1	ZINC000409195425	571319525	/nfs/dbraw/zinc/31/95/25/571319525.db2.gz	ISJLDJORWBDONB-QXMHVHEDSA-N	-1	0	371.396	3.590	40	30		FHEBRM
COc1ccc(-c2[n-]n(-c3nc4ccccc4o3)c(=O)c2CCC#N)cc1	ZINC000014607916	220128878	/nfs/dbraw/zinc/12/88/78/220128878.db2.gz	DHDHBCRCDJZQKZ-UHFFFAOYSA-N	-1	0	360.373	3.851	40	30		FHEBRM
O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc(Br)cn2)c1[O-]	ZINC000038174571	211698950	/nfs/dbraw/zinc/69/89/50/211698950.db2.gz	NTWVOKFBIVVFSM-PJQLUOCWSA-N	-1	0	356.563	3.862	40	30		FHEBRM
C/C(=N\NC(=S)Nc1ccc(C(=O)[O-])cc1)c1nccc2ccccc21	ZINC000016940589	211173590	/nfs/dbraw/zinc/17/35/90/211173590.db2.gz	YYQXMTRONLGVMZ-WSDLNYQXSA-N	-1	0	364.430	3.644	40	30		FHEBRM
CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000027099721	220528000	/nfs/dbraw/zinc/52/80/00/220528000.db2.gz	HIFJCPQKFCZDDL-ADWWHASJSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
O=C([O-])C(F)(F)C(F)(F)C(F)(F)O[C@](F)(Cl)C(F)(F)Cl	ZINC000100045804	222232984	/nfs/dbraw/zinc/23/29/84/222232984.db2.gz	LXQALNRZYKVNKJ-YFKPBYRVSA-N	-1	0	362.959	3.645	40	30		FHEBRM
CC(=O)C=C([O-])[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000100045372	222233656	/nfs/dbraw/zinc/23/36/56/222233656.db2.gz	WKZWQTGKGJHUHH-RXMQYKEDSA-N	-1	0	370.114	3.570	40	30		FHEBRM
O=C(C=Cc1ccco1)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F	ZINC000100316273	222241753	/nfs/dbraw/zinc/24/17/53/222241753.db2.gz	QITXVNIIEYAKKH-ONEGZZNKSA-N	-1	0	364.188	3.992	40	30		FHEBRM
Cc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1	ZINC000020060617	263377629	/nfs/dbraw/zinc/37/76/29/263377629.db2.gz	HYSUBWNZSQESAI-FYJGNVAPSA-N	-1	0	351.431	3.941	40	30		FHEBRM
COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1	ZINC000039557421	263399778	/nfs/dbraw/zinc/39/97/78/263399778.db2.gz	XCOOHCZWHROVOH-KKBVUKDESA-N	-1	0	361.781	3.729	40	30		FHEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)c1	ZINC000223254558	519058200	/nfs/dbraw/zinc/05/82/00/519058200.db2.gz	YDTYYWMZCNHTIL-UHFFFAOYSA-N	-1	0	373.474	3.940	40	30		FHEBRM
CCCCCCCCSCCOC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	ZINC000104161914	520045537	/nfs/dbraw/zinc/04/55/37/520045537.db2.gz	KNFNYSLYXVWHQC-XUWVNRHRSA-N	-1	0	358.500	3.502	40	30		FHEBRM
COc1cc(-c2cc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc(OC)c1OC	ZINC000012418807	560211905	/nfs/dbraw/zinc/21/19/05/560211905.db2.gz	UCDHUMYDVNHERP-UHFFFAOYSA-N	-1	0	362.385	3.606	40	30	biogenic,in-vitro	FHEBRM
Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2[O-])c1	ZINC000006684098	568029943	/nfs/dbraw/zinc/02/99/43/568029943.db2.gz	LRMYLYAWWIZUHK-QGMBQPNBSA-N	-1	0	373.261	3.628	40	30		FHEBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408531903	570513680	/nfs/dbraw/zinc/51/36/80/570513680.db2.gz	HLWPGHGSDKDTGV-HNNXBMFYSA-N	-1	0	369.808	3.504	40	30		FHEBRM
Cc1ccc(C(C)C)c(O)c1NC(=S)N/N=C\c1ccccc1C(=O)[O-]	ZINC000004707233	570602399	/nfs/dbraw/zinc/60/23/99/570602399.db2.gz	WHIUBOXMPXCXCR-JMIUGGIZSA-N	-1	0	371.462	3.843	40	30		FHEBRM
Cc1cc(=O)oc2c(C=NN=c3[nH]c4ccccc4s3)c([O-])ccc12	ZINC000005534437	570679366	/nfs/dbraw/zinc/67/93/66/570679366.db2.gz	AOKFVHMXLRXMRA-DJKKODMXSA-N	-1	0	351.387	3.863	40	30		FHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408739589	570687516	/nfs/dbraw/zinc/68/75/16/570687516.db2.gz	CUOAYNDMOARSRW-LEBHLANCSA-N	-1	0	356.769	3.989	40	30		FHEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3[O-])S2)cc1	ZINC000408963393	570704222	/nfs/dbraw/zinc/70/42/22/570704222.db2.gz	BMMVQCZCUPZFMF-OQLLNIDSSA-N	-1	0	355.375	3.500	40	30		FHEBRM
O=C([O-])Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21	ZINC000409069402	570719308	/nfs/dbraw/zinc/71/93/08/570719308.db2.gz	CUSREJVTDCOUMN-QPJQQBGISA-N	-1	0	362.311	3.586	40	30		FHEBRM
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)/C(=N/[O-])S1	ZINC000036633746	571080585	/nfs/dbraw/zinc/08/05/85/571080585.db2.gz	VPENRRTVRRIZGF-GICLCMKGSA-N	-1	0	366.402	3.596	40	30		FHEBRM
C=CCc1cc(/C=N/c2ccc(F)cc2F)cc(OC)c1OCC(=O)[O-]	ZINC000059248326	571088520	/nfs/dbraw/zinc/08/85/20/571088520.db2.gz	OUGGYJJSCLHAKQ-LSHDLFTRSA-N	-1	0	361.344	3.916	40	30		FHEBRM
C=CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000085221261	210237336	/nfs/dbraw/zinc/23/73/36/210237336.db2.gz	CPJQXKHZCVDRSX-LJQANCHMSA-N	-1	0	351.402	3.945	40	30		FHEBRM
CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]2C[C@@H]1O	ZINC000039351831	210041757	/nfs/dbraw/zinc/04/17/57/210041757.db2.gz	HIFJCPQKFCZDDL-KOUQQIJKSA-N	-1	0	360.494	3.541	40	30		FHEBRM
COc1ccc(N=C2NC(=O)SC2=NNc2ccccc2C(=O)[O-])cc1	ZINC000016711901	220192561	/nfs/dbraw/zinc/19/25/61/220192561.db2.gz	GWWROGWJASCQFC-QNGOZBTKSA-N	-1	0	370.390	3.510	40	30		FHEBRM
O=C([O-])c1cccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)c1	ZINC000005741082	263342995	/nfs/dbraw/zinc/34/29/95/263342995.db2.gz	WRWWPULLYWNWKZ-UDWIEESQSA-N	-1	0	365.414	3.965	40	30		FHEBRM
C#CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000043867407	518248901	/nfs/dbraw/zinc/24/89/01/518248901.db2.gz	YWCKIQCRKHNUOY-HXUWFJFHSA-N	-1	0	363.413	3.782	40	30		FHEBRM
Cc1cc(C)n(-c2n[n-]c(=S)n2N=Cc2c(Cl)cccc2Cl)n1	ZINC000007757160	570683665	/nfs/dbraw/zinc/68/36/65/570683665.db2.gz	PLJIMZCQJOVQQJ-REZTVBANSA-N	-1	0	367.265	3.932	40	30		FHEBRM
COc1cc(/C=N/O)cc(Br)c1OCc1cccc(F)c1	ZINC000408934480	570701104	/nfs/dbraw/zinc/70/11/04/570701104.db2.gz	BAVGJDDZUMMVBP-QGMBQPNBSA-N	-1	0	354.175	3.984	40	30		FHEBRM
Cc1cccc(N=C2NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)c1C	ZINC000408966324	570703293	/nfs/dbraw/zinc/70/32/93/570703293.db2.gz	ZTMWOPSZWYQIPF-SXGWCWSVSA-N	-1	0	369.402	3.809	40	30		FHEBRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1O	ZINC000059135040	571087526	/nfs/dbraw/zinc/08/75/26/571087526.db2.gz	CBFHBDAKKGMEEQ-LFIBNONCSA-N	-1	0	366.348	3.767	40	30		FHEBRM
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1C	ZINC000059223978	571088101	/nfs/dbraw/zinc/08/81/01/571088101.db2.gz	GGVNITLBZDJAMH-SXGWCWSVSA-N	-1	0	369.402	3.809	40	30		FHEBRM
C=CCc1cc(C=Nc2ccc(C(C)=O)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059302285	571090008	/nfs/dbraw/zinc/09/00/08/571090008.db2.gz	GSBSELZVXKDFEI-WSDLNYQXSA-N	-1	0	367.401	3.840	40	30		FHEBRM
O=[N+]([O-])c1cccc(COc2ccc(Br)cc2/C=N/[O-])c1	ZINC000033409248	571310463	/nfs/dbraw/zinc/31/04/63/571310463.db2.gz	GWFMUFPKGGZVKN-LZYBPNLTSA-N	-1	0	351.156	3.744	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3c[nH]c4ccccc34)SC2=N)s1	ZINC000107624437	571310901	/nfs/dbraw/zinc/31/09/01/571310901.db2.gz	OALHGPOSDPNSQN-OXPJSJFTSA-N	-1	0	354.460	4.000	40	30		FHEBRM
CC#CC[C@H](C)[C@H](O)/C=C\[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000218080781	571311324	/nfs/dbraw/zinc/31/13/24/571311324.db2.gz	HIFJCPQKFCZDDL-JBWHDPPTSA-N	-1	0	360.494	3.541	40	30		FHEBRM
CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]21	ZINC000095911305	291075589	/nfs/dbraw/zinc/07/55/89/291075589.db2.gz	NZRACXOBLXBSFK-XBWUDYBRSA-N	-1	0	374.477	3.672	40	30	biogenic,in-vitro	FHEBRM
COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1S(=O)(=O)[O-]	ZINC000017289632	211183696	/nfs/dbraw/zinc/18/36/96/211183696.db2.gz	CXHADBHCKVFEFS-VXLYETTFSA-N	-1	0	363.435	3.830	40	30		FHEBRM
CCOc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(OC)cc1	ZINC000001473640	210356993	/nfs/dbraw/zinc/35/69/93/210356993.db2.gz	JHIGUZMADFUTLF-UNOMPAQXSA-N	-1	0	354.435	3.897	40	30		FHEBRM
N#Cc1c2[nH]c3ccccc3n2c(=O)c(/C=N/c2ccc(Cl)cc2)c1[O-]	ZINC000102951868	222315127	/nfs/dbraw/zinc/31/51/27/222315127.db2.gz	SASCQYZHWAEJPR-LSHDLFTRSA-N	-1	0	362.776	3.762	40	30		FHEBRM
CCOc1cccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2[O-])c1	ZINC000107935842	568291038	/nfs/dbraw/zinc/29/10/38/568291038.db2.gz	MSJLPSJZSOHBQO-QNORNXTCSA-N	-1	0	359.476	3.917	40	30		FHEBRM
COc1ccc(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1Cl	ZINC000222980267	568585137	/nfs/dbraw/zinc/58/51/37/568585137.db2.gz	LMBDIGQZWSEKIR-UHFFFAOYSA-N	-1	0	362.838	3.705	40	30		FHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C	ZINC000408534141	570515673	/nfs/dbraw/zinc/51/56/73/570515673.db2.gz	LNLCZJDVZMGHOY-INIZCTEOSA-N	-1	0	369.808	3.558	40	30		FHEBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1	ZINC000408537568	570521537	/nfs/dbraw/zinc/52/15/37/570521537.db2.gz	WIBNUBFTICMQAW-HNNXBMFYSA-N	-1	0	369.808	3.558	40	30		FHEBRM
C=CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1cccnc1	ZINC000005520361	570629495	/nfs/dbraw/zinc/62/94/95/570629495.db2.gz	YQNKGBBIBIKXEW-BRQLWOPXSA-N	-1	0	365.414	3.570	40	30		FHEBRM
O=C([O-])c1nc(Cl)c(Cl)c(/N=C/c2ccc(O)cc2O)c1Cl	ZINC000005568245	570630750	/nfs/dbraw/zinc/63/07/50/570630750.db2.gz	RGJYKDIZPMUTCB-HAVNEIBRSA-N	-1	0	361.568	3.902	40	30		FHEBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C=Nc3ccccc3)cc2)[nH]1	ZINC000005600772	570631561	/nfs/dbraw/zinc/63/15/61/570631561.db2.gz	KVLSPUYBGOFQKZ-GZKUGWNMSA-N	-1	0	362.345	3.717	40	30		FHEBRM
CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000409078528	570720614	/nfs/dbraw/zinc/72/06/14/570720614.db2.gz	INYXGIZNGUAICQ-NVNXTCNLSA-N	-1	0	371.776	3.933	40	30		FHEBRM
O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1[O-]	ZINC000104757077	570775525	/nfs/dbraw/zinc/77/55/25/570775525.db2.gz	OREHRRLVSUQGIH-CNHKJKLMSA-N	-1	0	370.243	3.673	40	30		FHEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1	ZINC000002695851	570883229	/nfs/dbraw/zinc/88/32/29/570883229.db2.gz	VBSOPLCTKKGXDL-UNOMPAQXSA-N	-1	0	354.435	3.897	40	30		FHEBRM
N#Cc1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCC2	ZINC000005897548	571167651	/nfs/dbraw/zinc/16/76/51/571167651.db2.gz	LMIIDBUTDNKZTA-YIFBXAAPSA-N	-1	0	370.474	3.740	40	30		FHEBRM
N#Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000035898110	571208884	/nfs/dbraw/zinc/20/88/84/571208884.db2.gz	GOBRYYYVULIYOP-AWBCAMRRSA-N	-1	0	370.474	3.740	40	30		FHEBRM
CCOc1ccccc1C=C1SC(=N)C(c2nnc(CC)s2)=C1[O-]	ZINC000137837046	571311055	/nfs/dbraw/zinc/31/10/55/571311055.db2.gz	VOPDYGRCVMQFGI-OCLZBJRFSA-N	-1	0	359.476	3.917	40	30		FHEBRM
Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\[O-]	ZINC000139297133	571311125	/nfs/dbraw/zinc/31/11/25/571311125.db2.gz	CYXDJMFPBWGONJ-NVMNQCDNSA-N	-1	0	363.211	3.583	40	30		FHEBRM
O/N=C\c1ccc(OCc2ccc(F)cc2)c(I)c1	ZINC000216810681	210159133	/nfs/dbraw/zinc/15/91/33/210159133.db2.gz	MEDAECLSDPCVAI-IUXPMGMMSA-N	-1	0	371.149	3.817	40	30		FHEBRM
O=c1[nH]c2ccc(/N=C/c3cc(Br)cc(Cl)c3[O-])cc2[nH]1	ZINC000001509421	210357627	/nfs/dbraw/zinc/35/76/27/210357627.db2.gz	UQOTVBPRXICFQU-UBKPWBPPSA-N	-1	0	366.602	3.728	40	30		FHEBRM
O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccc(F)cc2)cc1	ZINC000100413557	222243213	/nfs/dbraw/zinc/24/32/13/222243213.db2.gz	MBZYNBOJZFFAGN-CIAFOILYSA-N	-1	0	355.394	3.772	40	30		FHEBRM
N#Cc1c2[nH]c3ccccc3n2c(=O)c(/C=N\c2ccc(Cl)cc2)c1[O-]	ZINC000104103717	222351015	/nfs/dbraw/zinc/35/10/15/222351015.db2.gz	SASCQYZHWAEJPR-YVNNLAQVSA-N	-1	0	362.776	3.762	40	30		FHEBRM
Cc1ccc(-c2ccc(/C=N/N3C(=O)c4ccccc4C3=O)o2)cc1C(=O)[O-]	ZINC000408856819	263501476	/nfs/dbraw/zinc/50/14/76/263501476.db2.gz	RHOWCXUAUIKEHU-SSDVNMTOSA-N	-1	0	374.352	3.583	40	30		FHEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1	ZINC000408619307	570583505	/nfs/dbraw/zinc/58/35/05/570583505.db2.gz	LPIXXGVXCPHIRX-UHFFFAOYSA-N	-1	0	374.281	3.876	40	30		FHEBRM
CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc([N+](=O)[O-])c1[O-]	ZINC000409071725	570719387	/nfs/dbraw/zinc/71/93/87/570719387.db2.gz	RZTHCKVRJINTRF-IFRROFPPSA-N	-1	0	370.287	3.559	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	ZINC000409097780	570723661	/nfs/dbraw/zinc/72/36/61/570723661.db2.gz	OAZAMUJPNGJXHD-WSVATBPTSA-N	-1	0	370.243	3.673	40	30		FHEBRM
COc1ccc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1	ZINC000113856354	570825830	/nfs/dbraw/zinc/82/58/30/570825830.db2.gz	KUWNVMRQTGLPGK-PXNMLYILSA-N	-1	0	351.156	3.822	40	30		FHEBRM
C=CCc1cc(/C=N/c2cccc(OC)c2)cc(OC)c1OCC(=O)[O-]	ZINC000059249506	571088951	/nfs/dbraw/zinc/08/89/51/571088951.db2.gz	KABZUSCPKDETRZ-CIAFOILYSA-N	-1	0	355.390	3.646	40	30		FHEBRM
N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CCCC2	ZINC000005046254	219644903	/nfs/dbraw/zinc/64/49/03/219644903.db2.gz	UHVJKOBQDZBVID-NEPJUHHUSA-N	-1	0	364.854	3.671	40	30		FHEBRM
O=C([O-])c1ccc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000013339133	211029973	/nfs/dbraw/zinc/02/99/73/211029973.db2.gz	IUIAIGDFYKUPBZ-AWQFTUOYSA-N	-1	0	367.352	3.724	40	30		FHEBRM
C/C(=N\c1cccc(N)n1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000004701071	210553613	/nfs/dbraw/zinc/55/36/13/210553613.db2.gz	QQGHHZWBKNNBPA-ZVHZXABRSA-N	-1	0	370.412	3.814	40	30		FHEBRM
Cc1ccc(/N=C2/S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1	ZINC000100233608	222239222	/nfs/dbraw/zinc/23/92/22/222239222.db2.gz	TZGWKTSSVXOLLE-KERPIWHLSA-N	-1	0	352.415	3.927	40	30		FHEBRM
CCCCCCCC(=NNC(N)=S)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100933952	222257562	/nfs/dbraw/zinc/25/75/62/222257562.db2.gz	KBLSJXWUVURMJW-LTGZKZEYSA-N	-1	0	373.526	3.784	40	30		FHEBRM
Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/[O-])cc1	ZINC000006212714	263344539	/nfs/dbraw/zinc/34/45/39/263344539.db2.gz	RXLHQEXPURAEGF-GIJQJNRQSA-N	-1	0	363.211	3.583	40	30		FHEBRM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1cc(Cl)ccc1Cl	ZINC000016478658	526305803	/nfs/dbraw/zinc/30/58/03/526305803.db2.gz	JRAFVTUJUHLZNV-QWGSZXSUSA-N	-1	0	364.228	3.975	40	30		FHEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc3ccccc32)C1=O	ZINC000408537351	570519666	/nfs/dbraw/zinc/51/96/66/570519666.db2.gz	VKGHBGJYDOHJDV-QGZVFWFLSA-N	-1	0	371.396	3.750	40	30		FHEBRM
Cc1ccccc1N=C1NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2[O-])S1	ZINC000408721675	570675684	/nfs/dbraw/zinc/67/56/84/570675684.db2.gz	WXPYJVQNAPVSEM-ZROIWOOFSA-N	-1	0	355.375	3.500	40	30		FHEBRM
N#C[C@@H]1C2=C(CCCC2)S[C@@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408740766	570687657	/nfs/dbraw/zinc/68/76/57/570687657.db2.gz	MHSDCHVBXMYXNY-OAXJPZFWSA-N	-1	0	374.378	3.668	40	30		FHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408739585	570687697	/nfs/dbraw/zinc/68/76/97/570687697.db2.gz	CUOAYNDMOARSRW-FVOVHSBVSA-N	-1	0	356.769	3.989	40	30		FHEBRM
Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409090000	570722134	/nfs/dbraw/zinc/72/21/34/570722134.db2.gz	PQFLISHIQKVWET-MTJSOVHGSA-N	-1	0	358.825	3.934	40	30		FHEBRM
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N\c2ccc3c(c2)OCO3)c1	ZINC000409095942	570723168	/nfs/dbraw/zinc/72/31/68/570723168.db2.gz	JBRIPVZLZZLKAK-SOFYXZRVSA-N	-1	0	365.139	3.542	40	30		FHEBRM
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(N3CCOCC3)c(F)c2)c1	ZINC000409133590	570730748	/nfs/dbraw/zinc/73/07/48/570730748.db2.gz	LPMRDNUNHXPMNP-SRZZPIQSSA-N	-1	0	362.788	3.765	40	30		FHEBRM
COc1cccc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409222034	570742657	/nfs/dbraw/zinc/74/26/57/570742657.db2.gz	BHKPCXBVBZSXIO-ZTPSMGMTSA-N	-1	0	358.350	3.514	40	30		FHEBRM
O=C([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000008084389	570793683	/nfs/dbraw/zinc/79/36/83/570793683.db2.gz	RJGMXSMSZKTBHJ-UFWORHAWSA-N	-1	0	353.256	3.758	40	30		FHEBRM
C=CCc1cc(/C=N/c2ccc(C#N)cc2)cc(OC)c1OCC(=O)[O-]	ZINC000059679132	571092377	/nfs/dbraw/zinc/09/23/77/571092377.db2.gz	HCTIYIWUFKNNES-WSDLNYQXSA-N	-1	0	350.374	3.509	40	30		FHEBRM
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OC	ZINC000034743882	571310782	/nfs/dbraw/zinc/31/07/82/571310782.db2.gz	SXJWYCUYPLGSKS-CQCSDLFSSA-N	-1	0	360.460	3.968	40	30		FHEBRM
CC(C)Cc1ccc(C#N)c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1	ZINC000005633128	210634018	/nfs/dbraw/zinc/63/40/18/210634018.db2.gz	NADXRZQCORVMGS-UHFFFAOYSA-N	-1	0	369.446	3.581	40	30		FHEBRM
C=CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1	ZINC000224500552	519040570	/nfs/dbraw/zinc/04/05/70/519040570.db2.gz	BSZMEOFIVTWOML-UHFFFAOYSA-N	-1	0	353.827	3.714	40	30		FHEBRM
CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OC	ZINC000001473747	520856296	/nfs/dbraw/zinc/85/62/96/520856296.db2.gz	IQFOHRXBCFHWEQ-UNOMPAQXSA-N	-1	0	354.435	3.897	40	30		FHEBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc2c(cc1C#N)CCCC2	ZINC000005735238	570634173	/nfs/dbraw/zinc/63/41/73/570634173.db2.gz	SWZGMOLPSSHWHB-GOSISDBHSA-N	-1	0	362.458	3.715	40	30		FHEBRM
COc1ccc(C)cc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1	ZINC000005006542	570675006	/nfs/dbraw/zinc/67/50/06/570675006.db2.gz	LZRCRFQBMUBLJT-YBEGLDIGSA-N	-1	0	368.414	3.593	40	30		FHEBRM
COc1cc(/C=N/[O-])cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409080566	570719971	/nfs/dbraw/zinc/71/99/71/570719971.db2.gz	LPNJUXUCTIUKFL-FRKPEAEDSA-N	-1	0	367.701	3.765	40	30		FHEBRM
CN(C)c1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000409094786	570721135	/nfs/dbraw/zinc/72/11/35/570721135.db2.gz	GGMQSNKZHIXIRS-MFOYZWKCSA-N	-1	0	364.199	3.880	40	30		FHEBRM
O=[N+]([O-])c1cccnc1N=NCc1cc(Br)cc(Cl)c1[O-]	ZINC000409105472	570726610	/nfs/dbraw/zinc/72/66/10/570726610.db2.gz	HVYYAGBLJATVOY-SOFYXZRVSA-N	-1	0	371.578	3.557	40	30		FHEBRM
COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)c(C(=O)[O-])c1	ZINC000409238890	570743510	/nfs/dbraw/zinc/74/35/10/570743510.db2.gz	OFXASHPEKCRVJL-MTJSOVHGSA-N	-1	0	374.824	3.634	40	30		FHEBRM
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])S2)c1	ZINC000059459426	571089342	/nfs/dbraw/zinc/08/93/42/571089342.db2.gz	NNUVUXKJNIZTQC-SXGWCWSVSA-N	-1	0	369.402	3.809	40	30		FHEBRM
CCOc1ccccc1C=C1SC(=N)C(c2nnc(CC)s2)=C1[O-]	ZINC000006024759	571310167	/nfs/dbraw/zinc/31/01/67/571310167.db2.gz	VOPDYGRCVMQFGI-QNORNXTCSA-N	-1	0	359.476	3.917	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)c(C)c3)SC2=N)s1	ZINC000006564833	571310424	/nfs/dbraw/zinc/31/04/24/571310424.db2.gz	MWUIWOVSRIFDSO-HFENLWAASA-N	-1	0	359.476	3.835	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)c(C)c3)SC2=N)s1	ZINC000139352224	571311144	/nfs/dbraw/zinc/31/11/44/571311144.db2.gz	MWUIWOVSRIFDSO-FOCIWHPXSA-N	-1	0	359.476	3.835	40	30		FHEBRM
CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000027517578	210163494	/nfs/dbraw/zinc/16/34/94/210163494.db2.gz	HIFJCPQKFCZDDL-DDTNHEQNSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000002396201	210150338	/nfs/dbraw/zinc/15/03/38/210150338.db2.gz	VJSVPNMTRZBNQN-MHWRWJLKSA-N	-1	0	367.382	3.623	40	30		FHEBRM
CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]2C[C@@H]1O	ZINC000039351829	210041639	/nfs/dbraw/zinc/04/16/39/210041639.db2.gz	HIFJCPQKFCZDDL-JNVJZOOQSA-N	-1	0	360.494	3.541	40	30		FHEBRM
O=C([O-])CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)COc1ccccc1	ZINC000027639110	211470021	/nfs/dbraw/zinc/47/00/21/211470021.db2.gz	CARGFWOXPNIAKB-YWWUYYRQSA-N	-1	0	370.445	3.555	40	30	in-vitro	FHEBRM
Cc1ccc2nc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])sc2c1	ZINC000036011744	210819479	/nfs/dbraw/zinc/81/94/79/210819479.db2.gz	XMUYWOKMRDGPQH-FRKPEAEDSA-N	-1	0	358.335	3.877	40	30		FHEBRM
CC(N=Nc1nc2ccccc2o1)N=Nc1cccc(S(=O)(=O)[O-])c1	ZINC000100884138	222256316	/nfs/dbraw/zinc/25/63/16/222256316.db2.gz	HGOAONCFDNMIQY-ZRXXEUKSSA-N	-1	0	359.367	3.604	40	30		FHEBRM
Cc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1	ZINC000002218486	263144941	/nfs/dbraw/zinc/14/49/41/263144941.db2.gz	YTDGNRCPDYAMPJ-IXMFVRRYSA-N	-1	0	352.415	3.927	40	30		FHEBRM
COc1ccc(/C(=C/c2ccc(N(C)CCC#N)cc2)C(=O)[O-])cc1OC	ZINC000005737913	523358508	/nfs/dbraw/zinc/35/85/08/523358508.db2.gz	DRSACHDSXARWCN-AQTBWJFISA-N	-1	0	366.417	3.679	40	30		FHEBRM
O=C([O-])[C@H](Cc1ccccc1)NC=CC(=O)c1ccc(Cl)c(Cl)c1	ZINC000016478664	526306206	/nfs/dbraw/zinc/30/62/06/526306206.db2.gz	KALJBRLAFRTEMZ-QWGSZXSUSA-N	-1	0	364.228	3.975	40	30		FHEBRM
Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccccc1C(=O)[O-]	ZINC000003026165	570550218	/nfs/dbraw/zinc/55/02/18/570550218.db2.gz	PUXLBZIMVGQVHX-FOKLQQMPSA-N	-1	0	370.368	3.822	40	30		FHEBRM
C#CCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1Br	ZINC000408608445	570581830	/nfs/dbraw/zinc/58/18/30/570581830.db2.gz	LPSNWXZOVVIHMZ-UHFFFAOYSA-N	-1	0	360.207	3.771	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2nc(-c3ccc(O)cc3O)cs2)c1	ZINC000035525491	570606237	/nfs/dbraw/zinc/60/62/37/570606237.db2.gz	YWYMMFCLFDETEL-REZTVBANSA-N	-1	0	357.347	3.586	40	30		FHEBRM
CCc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S1	ZINC000005372905	570624669	/nfs/dbraw/zinc/62/46/69/570624669.db2.gz	OYLWAGYDBVTEPA-WJDWOHSUSA-N	-1	0	352.415	3.839	40	30		FHEBRM
C/C(=N/NC(=S)Nc1ccc(C(=O)[O-])cc1)c1nccc2ccccc21	ZINC000005502899	570628993	/nfs/dbraw/zinc/62/89/93/570628993.db2.gz	YYQXMTRONLGVMZ-UUYOSTAYSA-N	-1	0	364.430	3.644	40	30		FHEBRM
CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3c(c2)C=CC(=O)C3)c1[O-]	ZINC000006464407	570647501	/nfs/dbraw/zinc/64/75/01/570647501.db2.gz	VGLBZRADOBVWJS-JAIQZWGSSA-N	-1	0	352.346	3.588	40	30		FHEBRM
COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1Br	ZINC000006736685	570653055	/nfs/dbraw/zinc/65/30/55/570653055.db2.gz	XRVXZTZKCCGTPI-LZYBPNLTSA-N	-1	0	351.156	3.822	40	30		FHEBRM
Cc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)s1	ZINC000408794024	570687791	/nfs/dbraw/zinc/68/77/91/570687791.db2.gz	RDDJFFMVUMPFSC-DNSBCFGZSA-N	-1	0	358.444	3.989	40	30		FHEBRM
O=[N+]([O-])c1cc(/C=N\c2ccc(I)cc2)ccc1[O-]	ZINC000408904427	570696409	/nfs/dbraw/zinc/69/64/09/570696409.db2.gz	JGPLPBHPWLXEAK-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
O=[N+]([O-])c1cc(/C=N\c2ccccc2I)ccc1[O-]	ZINC000408904464	570696480	/nfs/dbraw/zinc/69/64/80/570696480.db2.gz	JVRMZMKEYBOLQH-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
Cc1ccc(/N=C2\S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2C)cc1	ZINC000408906022	570697021	/nfs/dbraw/zinc/69/70/21/570697021.db2.gz	AFPQTWRYXUWUER-LENJVWSZSA-N	-1	0	369.402	3.843	40	30		FHEBRM
C=CCc1cc(/C=N/O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409068757	570718550	/nfs/dbraw/zinc/71/85/50/570718550.db2.gz	VDDBNPIITFOJHL-CIAFOILYSA-N	-1	0	355.390	3.899	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2cccc(I)c2)c1	ZINC000409094193	570721218	/nfs/dbraw/zinc/72/12/18/570721218.db2.gz	CVUGJPXGLFVMCR-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
O=C([O-])c1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1O	ZINC000005648197	570777696	/nfs/dbraw/zinc/77/76/96/570777696.db2.gz	MIMODCWGTPVIBH-UHFFFAOYSA-N	-1	0	360.321	3.813	40	30		FHEBRM
C=CCc1cc(/C=N/c2ccccc2OC)cc(OC)c1OCC(=O)[O-]	ZINC000059679637	571092178	/nfs/dbraw/zinc/09/21/78/571092178.db2.gz	FJVQMBSFFJLYFU-CIAFOILYSA-N	-1	0	355.390	3.646	40	30		FHEBRM
CC[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1	ZINC000004611772	571109972	/nfs/dbraw/zinc/10/99/72/571109972.db2.gz	KQWSFSCGHQOOKF-UBHSHLNASA-N	-1	0	358.463	3.740	40	30		FHEBRM
C=CCSc1nnc([N-]S(=O)(=O)c2ccc3ccccc3c2)s1	ZINC000222545404	571160457	/nfs/dbraw/zinc/16/04/57/571160457.db2.gz	YHVKYKDEPCSYKG-UHFFFAOYSA-N	-1	0	363.489	3.770	40	30		FHEBRM
CCOc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])ccc1OC	ZINC000137844835	571310935	/nfs/dbraw/zinc/31/09/35/571310935.db2.gz	SXJWYCUYPLGSKS-WDLRCHCKSA-N	-1	0	360.460	3.968	40	30		FHEBRM
N=C1SC(=Cc2cc3c(cc2Cl)OCO3)C([O-])=C1c1nccs1	ZINC000139099978	571311141	/nfs/dbraw/zinc/31/11/41/571311141.db2.gz	YXQIPYWAAOZPJI-NMFVZGKPSA-N	-1	0	364.835	3.943	40	30		FHEBRM
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/CCCn2ccnc2)c1[O-])CCCC3	ZINC000019419151	220256367	/nfs/dbraw/zinc/25/63/67/220256367.db2.gz	LAVIOBHXFTUPBV-RGVLZGJSSA-N	-1	0	368.393	3.631	40	30		FHEBRM
CC(=O)OC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)[O-])[C@@]3(C)CC[C@@H]12	ZINC000118932750	222513242	/nfs/dbraw/zinc/51/32/42/222513242.db2.gz	HOGUPSMVUUERKH-DVBWKPSCSA-N	-1	0	374.477	3.762	40	30		FHEBRM
COc1ccc(CN=Nc2cc(C)nc(-c3ccccc3[O-])n2)c(OC)c1	ZINC000004595778	263334359	/nfs/dbraw/zinc/33/43/59/263334359.db2.gz	KDXHDDOSBANVSS-MTJSOVHGSA-N	-1	0	364.405	3.621	40	30		FHEBRM
COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1	ZINC000059250538	263419037	/nfs/dbraw/zinc/41/90/37/263419037.db2.gz	LOYZGFUXPCGHOV-AWQFTUOYSA-N	-1	0	361.781	3.649	40	30		FHEBRM
O=C([O-])CC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000095677016	570471043	/nfs/dbraw/zinc/47/10/43/570471043.db2.gz	PBCSXNBWNQQSMF-BYPYZUCNSA-N	-1	0	358.103	3.886	40	30		FHEBRM
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)c1	ZINC000005376847	570625445	/nfs/dbraw/zinc/62/54/45/570625445.db2.gz	IRLUFPDIMIZGQQ-YBEGLDIGSA-N	-1	0	352.415	3.893	40	30		FHEBRM
O=C1c2ccccc2C(=O)C1=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000408718336	570672634	/nfs/dbraw/zinc/67/26/34/570672634.db2.gz	SNSJAUOYIPTTHY-UHFFFAOYSA-N	-1	0	374.146	3.526	40	30		FHEBRM
Cc1ccc(N=C2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3[O-])S2)c(C)c1	ZINC000408721454	570675741	/nfs/dbraw/zinc/67/57/41/570675741.db2.gz	QUPHRFUAHKVOLL-DHDCSXOGSA-N	-1	0	369.402	3.809	40	30		FHEBRM
Cc1oc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c(C#N)c1C	ZINC000408918412	570699452	/nfs/dbraw/zinc/69/94/52/570699452.db2.gz	KFDUMXMCFOWUIC-UBKPWBPPSA-N	-1	0	364.155	3.895	40	30		FHEBRM
CC/N=C1/S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N1CC	ZINC000408929012	570700348	/nfs/dbraw/zinc/70/03/48/570700348.db2.gz	GJVYTRHSCLUBNC-KERPIWHLSA-N	-1	0	370.430	3.957	40	30		FHEBRM
CC[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2C1	ZINC000004628793	571116853	/nfs/dbraw/zinc/11/68/53/571116853.db2.gz	QAGUHPZMIFAYBW-UBHSHLNASA-N	-1	0	360.479	3.964	40	30		FHEBRM
C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000222856295	571311338	/nfs/dbraw/zinc/31/13/38/571311338.db2.gz	UPOWUZKYBPLLCO-GDNBJRDFSA-N	-1	0	355.371	3.867	40	30		FHEBRM
CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064857585	221154637	/nfs/dbraw/zinc/15/46/37/221154637.db2.gz	HIFJCPQKFCZDDL-XTEMGSGWSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
CC(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100222685	222239855	/nfs/dbraw/zinc/23/98/55/222239855.db2.gz	YKIGIKLABXBCDX-UHFFFAOYSA-N	-1	0	354.115	3.638	40	30		FHEBRM
C=CCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N/c1nccs1	ZINC000101013976	222259624	/nfs/dbraw/zinc/25/96/24/222259624.db2.gz	KBQLXYATGKQKLK-ZJQFFYPKSA-N	-1	0	371.443	3.631	40	30		FHEBRM
CCN1C(=O)C(=CNc2ccccc2)S/C1=N/[N-]c1nc(C)cs1	ZINC000104302451	222355499	/nfs/dbraw/zinc/35/54/99/222355499.db2.gz	BAXTZWDZUGYMHF-HKCQVPRMSA-N	-1	0	359.480	3.683	40	30		FHEBRM
COc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1	ZINC000020060621	263377584	/nfs/dbraw/zinc/37/75/84/263377584.db2.gz	QASLTCMLRFVYMB-FYJGNVAPSA-N	-1	0	367.430	3.642	40	30		FHEBRM
Cc1ccc(/C=C\c2c(C#N)c(=O)n(-c3cccc(C)c3)nc2C(=O)[O-])cc1	ZINC000409197155	263540051	/nfs/dbraw/zinc/54/00/51/263540051.db2.gz	XFLIRASGXGMKGA-KHPPLWFESA-N	-1	0	371.396	3.590	40	30		FHEBRM
Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000409213617	263542575	/nfs/dbraw/zinc/54/25/75/263542575.db2.gz	SJCVACKPUUYTHL-UUYOSTAYSA-N	-1	0	373.368	3.545	40	30		FHEBRM
O=C([O-])[C@@H](Cc1ccccc1)NC=CC(=O)c1cc(Cl)ccc1Cl	ZINC000016478655	527648431	/nfs/dbraw/zinc/64/84/31/527648431.db2.gz	JRAFVTUJUHLZNV-HLRDLLSLSA-N	-1	0	364.228	3.975	40	30		FHEBRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C2(C#N)CC2)cc1	ZINC000223007440	568590638	/nfs/dbraw/zinc/59/06/38/568590638.db2.gz	XBKKRUSVMMANQA-UHFFFAOYSA-N	-1	0	362.838	3.705	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3cc(Cl)ccc3O)SC2=N)s1	ZINC000136672545	570630173	/nfs/dbraw/zinc/63/01/73/570630173.db2.gz	RSESGAZFEOLSMV-FMCCDNIHSA-N	-1	0	365.867	3.877	40	30		FHEBRM
O=c1c(N=Nc2cccc(F)c2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000008336971	570680364	/nfs/dbraw/zinc/68/03/64/570680364.db2.gz	KAQHDBWRSGMWRN-XKZIYDEJSA-N	-1	0	350.275	3.559	40	30		FHEBRM
O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c([O-])c(Br)c2)nc1	ZINC000035189310	571076049	/nfs/dbraw/zinc/07/60/49/571076049.db2.gz	FDZHBKNZSUZGMJ-BNCCVWRVSA-N	-1	0	371.578	3.557	40	30		FHEBRM
O=C([O-])COc1ccc(C=NNc2ccc3ccccc3n2)cc1Cl	ZINC000059679493	571092102	/nfs/dbraw/zinc/09/21/02/571092102.db2.gz	ABPNAIBRGKPWNZ-KEBDBYFISA-N	-1	0	355.781	3.798	40	30		FHEBRM
N#C[C@H]1C(=O)Nc2sc(C(=O)c3ccccc3)c([O-])c2C12CCCCC2	ZINC000001439893	571103031	/nfs/dbraw/zinc/10/30/31/571103031.db2.gz	OWNFXTPKNHAQEC-ZDUSSCGKSA-N	-1	0	366.442	3.978	40	30		FHEBRM
O=C1CC[C@]2(C/C(=N\[O-])c3ccccc3O2)CCN1Cc1ccccc1	ZINC000013568869	220074220	/nfs/dbraw/zinc/07/42/20/220074220.db2.gz	HWKUWNOLQGULTD-YUIBMZAKSA-N	-1	0	350.418	3.599	40	30		FHEBRM
COc1ccc(C(=O)C=CNc2cc(OC)c(C(=O)[O-])cc2Cl)cc1	ZINC000016216100	220181285	/nfs/dbraw/zinc/18/12/85/220181285.db2.gz	KFXXLYWMHLDCLE-BQYQJAHWSA-N	-1	0	361.781	3.864	40	30		FHEBRM
O=[N+]([O-])c1cccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])c1	ZINC000098064189	222223822	/nfs/dbraw/zinc/22/38/22/222223822.db2.gz	UBYGSTJSVWMVEN-CHHVJCJISA-N	-1	0	366.127	3.722	40	30		FHEBRM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2	ZINC000100926150	222258092	/nfs/dbraw/zinc/25/80/92/222258092.db2.gz	CHULKVQRZLXDAC-YBEGLDIGSA-N	-1	0	366.421	3.966	40	30		FHEBRM
COC(=O)c1ccc(Cl)c(/N=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c1	ZINC000039557422	263399534	/nfs/dbraw/zinc/39/95/34/263399534.db2.gz	XCOOHCZWHROVOH-JZOCJUILSA-N	-1	0	361.781	3.729	40	30		FHEBRM
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)ccc1O[C@H](C)C(=O)[O-]	ZINC000409021185	263518007	/nfs/dbraw/zinc/51/80/07/263518007.db2.gz	YUOOVMRYAQKWPZ-AINDZBIGSA-N	-1	0	358.350	3.514	40	30		FHEBRM
COCc1cc(C)nc(N=NCc2cc(Cl)cc(Cl)c2[O-])c1C#N	ZINC000016267759	522916015	/nfs/dbraw/zinc/91/60/15/522916015.db2.gz	ZREPKBHVHHWNSG-IFRROFPPSA-N	-1	0	365.220	3.867	40	30		FHEBRM
COCc1cc(C)nc(N=NCc2cc(Cl)cc(Cl)c2[O-])c1C#N	ZINC000005739643	522918157	/nfs/dbraw/zinc/91/81/57/522918157.db2.gz	ZREPKBHVHHWNSG-SCDVKCJHSA-N	-1	0	365.220	3.867	40	30		FHEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(CN=Nc2ncccc2[N+](=O)[O-])o1	ZINC000015231342	571310547	/nfs/dbraw/zinc/31/05/47/571310547.db2.gz	AXLRZWYUDFJZNM-KEBDBYFISA-N	-1	0	366.333	3.702	40	30		FHEBRM
Cc1ccc(/C=C\c2c(C#N)c(=O)n(-c3ccc(C)cc3)nc2C(=O)[O-])cc1	ZINC000409197147	571319507	/nfs/dbraw/zinc/31/95/07/571319507.db2.gz	XACAWIPNTOUGEL-XFXZXTDPSA-N	-1	0	371.396	3.590	40	30		FHEBRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccccn2)cc1	ZINC000017429167	220215122	/nfs/dbraw/zinc/21/51/22/220215122.db2.gz	KQKRLPKEZCTVEE-KGENOOAVSA-N	-1	0	351.431	3.941	40	30		FHEBRM
O=C([O-])CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)COc1ccccc1	ZINC000027639103	220541340	/nfs/dbraw/zinc/54/13/40/220541340.db2.gz	CARGFWOXPNIAKB-GIYTUJIHSA-N	-1	0	370.445	3.555	40	30	in-vitro	FHEBRM
O=[N+]([O-])c1ccc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1	ZINC000102648738	222301973	/nfs/dbraw/zinc/30/19/73/222301973.db2.gz	YDKMEFRPSLHLIM-CHHVJCJISA-N	-1	0	366.127	3.722	40	30		FHEBRM
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])S2)c(C)c1	ZINC000005698136	263343184	/nfs/dbraw/zinc/34/31/84/263343184.db2.gz	PRGCCAZNKCELDH-SXGWCWSVSA-N	-1	0	369.402	3.809	40	30		FHEBRM
O=C([O-])CCC/C=C\C[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@H](O)COc1ccccc1	ZINC000027639115	527573240	/nfs/dbraw/zinc/57/32/40/527573240.db2.gz	CARGFWOXPNIAKB-GPGKALODSA-N	-1	0	370.445	3.555	40	30	in-vitro	FHEBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408531905	570513793	/nfs/dbraw/zinc/51/37/93/570513793.db2.gz	HLWPGHGSDKDTGV-OAHLLOKOSA-N	-1	0	369.808	3.504	40	30		FHEBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc3ccccc32)C1=O	ZINC000408537350	570519698	/nfs/dbraw/zinc/51/96/98/570519698.db2.gz	VKGHBGJYDOHJDV-KRWDZBQOSA-N	-1	0	371.396	3.750	40	30		FHEBRM
CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000035647145	570686158	/nfs/dbraw/zinc/68/61/58/570686158.db2.gz	JWAIBJHMJHRPEQ-LFIBNONCSA-N	-1	0	368.414	3.675	40	30		FHEBRM
CCOC(=O)c1cccc(/N=C\c2ccc(OCC(=O)[O-])c(Cl)c2)c1	ZINC000408850176	570692549	/nfs/dbraw/zinc/69/25/49/570692549.db2.gz	HMGFGIHLPQEOPI-JMIUGGIZSA-N	-1	0	361.781	3.731	40	30		FHEBRM
COc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)ccc1O[C@H](C)C(=O)[O-]	ZINC000409011838	570712659	/nfs/dbraw/zinc/71/26/59/570712659.db2.gz	IUDYLBKXIHYYHA-FGHSJCFPSA-N	-1	0	358.350	3.514	40	30		FHEBRM
O=[N+]([O-])c1cccc(/C=N\c2cccc(I)c2)c1[O-]	ZINC000409120385	570728066	/nfs/dbraw/zinc/72/80/66/570728066.db2.gz	VLRPQRHRRMAEDA-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
Brc1ccc(N=NC(N=Nc2nnn[n-]2)c2ccccc2)cc1	ZINC000005445332	570960162	/nfs/dbraw/zinc/96/01/62/570960162.db2.gz	NYVZYAUIBPIKPV-BSEKWEKLSA-N	-1	0	371.202	3.520	40	30		FHEBRM
Cc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000138481384	571311161	/nfs/dbraw/zinc/31/11/61/571311161.db2.gz	GBAQZORKODYHEF-NIPZQEADSA-N	-1	0	352.415	3.927	40	30		FHEBRM
CCCCCCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1	ZINC000003081987	571344589	/nfs/dbraw/zinc/34/45/89/571344589.db2.gz	MLJVVSRVYWNBLJ-UHFFFAOYSA-N	-1	0	374.506	3.730	40	30		FHEBRM
COc1cc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OC)c1	ZINC000000684046	219313846	/nfs/dbraw/zinc/31/38/46/219313846.db2.gz	CLJWGOFDPZICCW-ODLFYWEKSA-N	-1	0	370.434	3.516	40	30		FHEBRM
O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1)c1ccco1	ZINC000000802239	219323515	/nfs/dbraw/zinc/32/35/15/219323515.db2.gz	KAMUPKXDBRNVJB-YBFXNURJSA-N	-1	0	351.318	3.896	40	30		FHEBRM
N#Cc1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000005725619	219696650	/nfs/dbraw/zinc/69/66/50/219696650.db2.gz	BUFIZIKZFCQXPW-CJTUPEFNSA-N	-1	0	358.463	3.574	40	30		FHEBRM
Cc1cccc(/C=N/c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c1	ZINC000020060649	263377617	/nfs/dbraw/zinc/37/76/17/263377617.db2.gz	HRRUXLFIWQNCPF-FYJGNVAPSA-N	-1	0	351.431	3.941	40	30		FHEBRM
COc1ccccc1CN/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000020761756	263381316	/nfs/dbraw/zinc/38/13/16/263381316.db2.gz	AQSMETYLIPQGNM-LPYMAVHISA-N	-1	0	350.374	3.777	40	30		FHEBRM
O=C([O-])/C=C/c1cccc(/N=C2\C(=O)Nc3ccc(Br)cc32)c1	ZINC000005448504	527546762	/nfs/dbraw/zinc/54/67/62/527546762.db2.gz	IERVGRFNFGOQHU-QPJJXVBHSA-N	-1	0	371.190	3.620	40	30		FHEBRM
COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1O	ZINC000024037888	568442157	/nfs/dbraw/zinc/44/21/57/568442157.db2.gz	TZMXWQRTSNDREE-GIJQJNRQSA-N	-1	0	360.826	3.857	40	30		FHEBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc4ccccc43)C2=O)cc1	ZINC000408536340	570517519	/nfs/dbraw/zinc/51/75/19/570517519.db2.gz	QYHTWJOTVJRKDI-SFHVURJKSA-N	-1	0	371.396	3.750	40	30		FHEBRM
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)S2)c1	ZINC000005697674	570633526	/nfs/dbraw/zinc/63/35/26/570633526.db2.gz	RPXWBUFCKMUBAU-SXGWCWSVSA-N	-1	0	369.402	3.809	40	30		FHEBRM
O=[N+]([O-])c1ccc(N=NCc2cc(Br)cc(Cl)c2[O-])nc1	ZINC000408751075	570689041	/nfs/dbraw/zinc/68/90/41/570689041.db2.gz	WCUZNDLUMSWKRJ-FZSIALSZSA-N	-1	0	371.578	3.557	40	30		FHEBRM
Cc1c(C(=O)[O-])cccc1-c1ccc(CN=Nc2ncccc2[N+](=O)[O-])o1	ZINC000409104701	570722539	/nfs/dbraw/zinc/72/25/39/570722539.db2.gz	HLOZWDCPRPVEIM-KEBDBYFISA-N	-1	0	366.333	3.702	40	30		FHEBRM
Cc1cc(N2CCOCC2)ccc1/C=N/c1cc(C(=O)[O-])ccc1Cl	ZINC000409098899	570723437	/nfs/dbraw/zinc/72/34/37/570723437.db2.gz	MOPONTWJXFJMOL-CIAFOILYSA-N	-1	0	358.825	3.934	40	30		FHEBRM
O=[N+]([O-])c1cccc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[O-]	ZINC000409099369	570724043	/nfs/dbraw/zinc/72/40/43/570724043.db2.gz	QQCZEBAPQDVCGE-CNHKJKLMSA-N	-1	0	370.243	3.673	40	30		FHEBRM
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1	ZINC000302767588	570775484	/nfs/dbraw/zinc/77/54/84/570775484.db2.gz	MYWYLUHMKYKJBX-UHFFFAOYSA-N	-1	0	374.281	3.876	40	30		FHEBRM
CC(C)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000016575782	570858061	/nfs/dbraw/zinc/85/80/61/570858061.db2.gz	IWFXLXOPDSRVHU-KKJJZKEWSA-N	-1	0	365.458	3.576	40	30		FHEBRM
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NOCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000299888724	571204006	/nfs/dbraw/zinc/20/40/06/571204006.db2.gz	VDYLVWGBLQNNAW-ZKHIMWLXSA-N	-1	0	361.482	3.767	40	30		FHEBRM
C=CCn1c2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S	ZINC000036617257	571257856	/nfs/dbraw/zinc/25/78/56/571257856.db2.gz	ASJAXPPKLIHGKC-UHFFFAOYSA-N	-1	0	373.821	3.659	40	30		FHEBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccccc3C#N)o2)C(=O)[O-])o1	ZINC000214862309	571282922	/nfs/dbraw/zinc/28/29/22/571282922.db2.gz	AIJOBGXHCJKBFJ-DHDCSXOGSA-N	-1	0	367.386	3.981	40	30		FHEBRM
COCc1cc(C)nc(N=NCc2cc(Cl)cc(Cl)c2[O-])c1C#N	ZINC000254369497	571291959	/nfs/dbraw/zinc/29/19/59/571291959.db2.gz	ZREPKBHVHHWNSG-UHFFFAOYSA-N	-1	0	365.220	3.867	40	30		FHEBRM
CCOCC(C)(C)[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000034033845	571310697	/nfs/dbraw/zinc/31/06/97/571310697.db2.gz	HCTZKPLQIGQRPR-UHWJJEQDSA-N	-1	0	364.482	3.539	40	30		FHEBRM
CCN1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000035657066	571310760	/nfs/dbraw/zinc/31/07/60/571310760.db2.gz	NCAVSGWTLDRQGK-DOXJHMMXSA-N	-1	0	368.414	3.714	40	30		FHEBRM
COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCC(=O)[O-]	ZINC000107790334	571310924	/nfs/dbraw/zinc/31/09/24/571310924.db2.gz	UKJOPQPTHFGXJC-UFFVCSGVSA-N	-1	0	370.430	3.721	40	30		FHEBRM
CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000021982948	220372970	/nfs/dbraw/zinc/37/29/70/220372970.db2.gz	HIFJCPQKFCZDDL-KKGOZDOLSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H]2C/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000064858024	221154756	/nfs/dbraw/zinc/15/47/56/221154756.db2.gz	HIFJCPQKFCZDDL-RZZJCQOISA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
Cc1cc(=O)oc2c(/C=N/c3ccc(Br)cn3)c([O-])ccc12	ZINC000005336698	263340098	/nfs/dbraw/zinc/34/00/98/263340098.db2.gz	HBCHULMTCXHTCV-UFWORHAWSA-N	-1	0	359.179	3.715	40	30		FHEBRM
COc1ccccc1CN/N=C/c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000020762417	263382741	/nfs/dbraw/zinc/38/27/41/263382741.db2.gz	BGDLUTZDXVEFAP-LPYMAVHISA-N	-1	0	350.374	3.777	40	30		FHEBRM
CCCCCCCCNC(=S)Nc1cc(S(=O)(=O)CC)ccc1[O-]	ZINC000059662642	520034656	/nfs/dbraw/zinc/03/46/56/520034656.db2.gz	INSXOIYDCPHJAH-UHFFFAOYSA-N	-1	0	372.556	3.833	40	30		FHEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Cl)c1O	ZINC000137317961	570631140	/nfs/dbraw/zinc/63/11/40/570631140.db2.gz	UWRGRKNMDJRUJF-QRIYPMNQSA-N	-1	0	366.851	3.929	40	30		FHEBRM
O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccccc2[N+](=O)[O-])c1[O-]	ZINC000006528561	570648761	/nfs/dbraw/zinc/64/87/61/570648761.db2.gz	GUGSYCYJBSTIIE-VIZOYTHASA-N	-1	0	366.127	3.722	40	30		FHEBRM
N#C[C@H]1C2=C(CCCC2)S[C@@H]1/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408740762	570687677	/nfs/dbraw/zinc/68/76/77/570687677.db2.gz	MHSDCHVBXMYXNY-DVVMKUTISA-N	-1	0	374.378	3.668	40	30		FHEBRM
C=CCc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)[O-]	ZINC000408849495	570692411	/nfs/dbraw/zinc/69/24/11/570692411.db2.gz	WEBBXXIWEGNDJQ-JAIQZWGSSA-N	-1	0	370.361	3.546	40	30		FHEBRM
CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000027517577	571294174	/nfs/dbraw/zinc/29/41/74/571294174.db2.gz	HIFJCPQKFCZDDL-RJPBYPGSSA-N	-1	0	360.494	3.541	40	30	in-vitro	FHEBRM
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Cl)c1O	ZINC000033647588	571310664	/nfs/dbraw/zinc/31/06/64/571310664.db2.gz	UWRGRKNMDJRUJF-FCWFZMKMSA-N	-1	0	366.851	3.929	40	30		FHEBRM
O=C([O-])c1ccnc([C@@H]2CCCC/C2=N\NC(=S)Nc2ccccc2)c1	ZINC000016778481	220193508	/nfs/dbraw/zinc/19/35/08/220193508.db2.gz	DNRABLMEJVUCPH-JZRFMTABSA-N	-1	0	368.462	3.780	40	30		FHEBRM
O=c1c(N=Nc2ccc(F)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1	ZINC000005603858	263342365	/nfs/dbraw/zinc/34/23/65/263342365.db2.gz	HVEZWAPZUJJJKB-LPYMAVHISA-N	-1	0	350.275	3.559	40	30		FHEBRM
Cc1ccsc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O	ZINC000408787540	263496166	/nfs/dbraw/zinc/49/61/66/263496166.db2.gz	BPKFHCIOAZMCSH-DNSBCFGZSA-N	-1	0	358.444	3.989	40	30		FHEBRM
COc1cc(OC)c(OC)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1	ZINC000001473756	570652057	/nfs/dbraw/zinc/65/20/57/570652057.db2.gz	VMZMTPLUJWCQGH-ODLFYWEKSA-N	-1	0	370.434	3.516	40	30		FHEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OC)c1OC	ZINC000001478054	570652547	/nfs/dbraw/zinc/65/25/47/570652547.db2.gz	LMYJIBGEKYFRCA-ODLFYWEKSA-N	-1	0	370.434	3.516	40	30		FHEBRM
COc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1Br	ZINC000006736686	570653113	/nfs/dbraw/zinc/65/31/13/570653113.db2.gz	VYDIWHCJDQVLNM-LZYBPNLTSA-N	-1	0	351.156	3.822	40	30		FHEBRM
COc1ccccc1/C=N/c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000006409374	570681244	/nfs/dbraw/zinc/68/12/44/570681244.db2.gz	BBAAQKXHXDYSKO-KGENOOAVSA-N	-1	0	367.430	3.642	40	30		FHEBRM
COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc([N+](=O)[O-])c1[O-]	ZINC000408743334	570688034	/nfs/dbraw/zinc/68/80/34/570688034.db2.gz	ZYRXXSYNLGBHGI-DJKKODMXSA-N	-1	0	357.391	3.872	40	30		FHEBRM
Cc1ccc(N=C2NC(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000408966439	570703397	/nfs/dbraw/zinc/70/33/97/570703397.db2.gz	OKPIBZPMJNKZPD-OQLLNIDSSA-N	-1	0	355.375	3.500	40	30		FHEBRM
C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000409105686	570726652	/nfs/dbraw/zinc/72/66/52/570726652.db2.gz	JCYFLOWGQVLOJV-COOUDCDJSA-N	-1	0	368.414	3.786	40	30		FHEBRM
CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@H](O)C[C@H]2C/C(=C/CCCC(=O)[O-])C[C@H]21	ZINC000252286727	571139896	/nfs/dbraw/zinc/13/98/96/571139896.db2.gz	HIFJCPQKFCZDDL-HHVFENFASA-N	-1	0	360.494	3.541	40	30		FHEBRM
Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3[O-])S2)c1	ZINC000006266619	571310201	/nfs/dbraw/zinc/31/02/01/571310201.db2.gz	MGTYIOCABVEVCU-DHDCSXOGSA-N	-1	0	369.402	3.809	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(N(C)C)cc3)SC2=N)s1	ZINC000033666577	571310587	/nfs/dbraw/zinc/31/05/87/571310587.db2.gz	JNPPKXGUMXGJCP-QNORNXTCSA-N	-1	0	358.492	3.584	40	30		FHEBRM
O=[N+]([O-])c1cccc(/C=N\c2ccccc2I)c1[O-]	ZINC000110792900	571310996	/nfs/dbraw/zinc/31/09/96/571310996.db2.gz	HRIBLUPCMVBEIO-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM
CCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc1OC	ZINC000108101288	571311010	/nfs/dbraw/zinc/31/10/10/571311010.db2.gz	TXCBZUQAWFFPMJ-CQCSDLFSSA-N	-1	0	360.460	3.968	40	30		FHEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C\c2c3ccccc3cc3ccccc32)C1=O	ZINC000001228994	219391527	/nfs/dbraw/zinc/39/15/27/219391527.db2.gz	DWWYFXMUJBQCET-CPNJWEJPSA-N	-1	0	356.381	3.641	40	30		FHEBRM
Cc1ccc(C(C)C)c(O)c1NC(=S)N/N=C/c1ccccc1C(=O)[O-]	ZINC000017314279	220213009	/nfs/dbraw/zinc/21/30/09/220213009.db2.gz	WHIUBOXMPXCXCR-KEBDBYFISA-N	-1	0	371.462	3.843	40	30		FHEBRM
CC(C)N1C(=O)C(=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21	ZINC000103384191	222335905	/nfs/dbraw/zinc/33/59/05/222335905.db2.gz	WMAUILYSKBMJPH-LTGZKZEYSA-N	-1	0	357.797	3.609	40	30		FHEBRM
CCCCCCCCCC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCC	ZINC000104210088	222352691	/nfs/dbraw/zinc/35/26/91/222352691.db2.gz	WKVOECQBWDOIBJ-ZDUSSCGKSA-N	-1	0	371.503	3.837	40	30		FHEBRM
C#CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000043867396	518249471	/nfs/dbraw/zinc/24/94/71/518249471.db2.gz	YWCKIQCRKHNUOY-FQEVSTJZSA-N	-1	0	363.413	3.782	40	30		FHEBRM
CCc1nnc(C2=C([O-])C(=Cc3ccc(OC)cc3C)SC2=N)s1	ZINC000136463401	570629989	/nfs/dbraw/zinc/62/99/89/570629989.db2.gz	GUIRGMBAZWLNAZ-FOCIWHPXSA-N	-1	0	359.476	3.835	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000006269002	570644567	/nfs/dbraw/zinc/64/45/67/570644567.db2.gz	PLTXNMKSVVVVJL-XDHOZWIPSA-N	-1	0	370.365	3.950	40	30		FHEBRM
COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C(=O)[O-])cc1	ZINC000409092836	570720635	/nfs/dbraw/zinc/72/06/35/570720635.db2.gz	ZOOQZZFZFZXRHG-FYJGNVAPSA-N	-1	0	354.406	3.753	40	30		FHEBRM
C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000409234502	570744634	/nfs/dbraw/zinc/74/46/34/570744634.db2.gz	LDROZIBPTBEIEJ-IEMQHYRPSA-N	-1	0	368.414	3.786	40	30		FHEBRM
COc1cccc(/C=N/c2ccc([N+](=O)[O-])cc2C)c1O[C@H](C)C(=O)[O-]	ZINC000409250098	570745777	/nfs/dbraw/zinc/74/57/77/570745777.db2.gz	PPGWTMLTZQQPJH-AINDZBIGSA-N	-1	0	358.350	3.514	40	30		FHEBRM
O=[N+]([O-])c1ccc([O-])c(/C=N\c2ccccc2I)c1	ZINC000002820914	570769040	/nfs/dbraw/zinc/76/90/40/570769040.db2.gz	FXDSSIYMPPYEIF-NVNXTCNLSA-N	-1	0	368.130	3.656	40	30		FHEBRM