smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccccc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000013343395	201892389	/nfs/dbraw/zinc/89/23/89/201892389.db2.gz	QVFVUVSYXYZIFQ-XFXZXTDPSA-N	-1	0	337.422	2.761	40	10		EFCBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(C)C2=O)c1[O-]	ZINC000027496644	202154656	/nfs/dbraw/zinc/15/46/56/202154656.db2.gz	RGCITLDCUZLGJV-BJMVGYQFSA-N	-1	0	340.382	2.530	40	10		EFCBRM
O=C([O-])CSC1=N[C@@H](c2ccccc2O)C[C@H](C(F)(F)F)N1	ZINC000012844506	304071830	/nfs/dbraw/zinc/07/18/30/304071830.db2.gz	LXCZXNINECDTTR-PSASIEDQSA-N	-1	0	334.319	2.531	40	10		EFCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1C1CCCCC1	ZINC000000257946	206222850	/nfs/dbraw/zinc/22/28/50/206222850.db2.gz	FFNJEHIGASESHJ-GDNBJRDFSA-N	-1	0	329.400	2.702	40	10		EFCBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1	ZINC000000502553	206236834	/nfs/dbraw/zinc/23/68/34/206236834.db2.gz	WDONBDOGYNMDAI-UKTHLTGXSA-N	-1	0	326.377	2.728	40	10		EFCBRM
O=C([O-])[C@H]1Nc2c(I)cccc2[C@@H]2C=CC[C@@H]21	ZINC000101638885	304209071	/nfs/dbraw/zinc/20/90/71/304209071.db2.gz	CNQHYGCDWZHJEN-DXBFQKDVSA-N	-1	0	341.148	2.830	40	10		EFCBRM
O=C([O-])CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O	ZINC000408959684	257885531	/nfs/dbraw/zinc/88/55/31/257885531.db2.gz	DDQWGAVNPRRYEZ-UVTDQMKNSA-N	-1	0	346.408	2.798	40	10		EFCBRM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12	ZINC000004660860	275021617	/nfs/dbraw/zinc/02/16/17/275021617.db2.gz	GKJXQRXAJNPUKI-YBEGLDIGSA-N	-1	0	345.358	2.830	40	10	biogenic	EFCBRM
O=S(=O)([O-])c1c(O)c2ccccc2c2nc3ccccc3nc21	ZINC000031949606	304768374	/nfs/dbraw/zinc/76/83/74/304768374.db2.gz	RUBBOFCEQQSPGR-UHFFFAOYSA-N	-1	0	326.333	2.889	40	10		EFCBRM
CCOc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)[O-])C1=O	ZINC000000967028	471378726	/nfs/dbraw/zinc/37/87/26/471378726.db2.gz	JJLOCARCROSFKV-KWINOFQJSA-N	-1	0	337.422	2.760	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cccs1	ZINC000005017893	471483129	/nfs/dbraw/zinc/48/31/29/471483129.db2.gz	KJZKBSOEYAJTRZ-YRNVUSSQSA-N	-1	0	342.332	2.984	40	10		EFCBRM
COc1cc(C(C)=C2SC(=S)N=C2[O-])cc(OC)c1OC	ZINC000005132084	471488098	/nfs/dbraw/zinc/48/80/98/471488098.db2.gz	VUCTYMMRFTUOOG-GHXNOFRVSA-N	-1	0	325.411	2.591	40	10		EFCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373960	471502777	/nfs/dbraw/zinc/50/27/77/471502777.db2.gz	WWQNXUZNTIDQME-SERMCNLOSA-N	-1	0	338.454	2.870	40	10		EFCBRM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1Cl	ZINC000005547186	471510119	/nfs/dbraw/zinc/51/01/19/471510119.db2.gz	RRNIVGIUEPNEJC-SDQBBNPISA-N	-1	0	344.754	2.521	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S	ZINC000006210119	471535657	/nfs/dbraw/zinc/53/56/57/471535657.db2.gz	BBTCNRRNWLAFAN-WEVVVXLNSA-N	-1	0	345.348	2.574	40	10		EFCBRM
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)S1	ZINC000006262356	471537841	/nfs/dbraw/zinc/53/78/41/471537841.db2.gz	HRLHGFDXCYGURM-RUDMXATFSA-N	-1	0	331.180	2.805	40	10		EFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1C	ZINC000016282815	471929501	/nfs/dbraw/zinc/92/95/01/471929501.db2.gz	YQWRHNUSPBPLSG-RVDMUPIBSA-N	-1	0	336.347	2.670	40	10		EFCBRM
COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)ccc1F	ZINC000390833506	476804977	/nfs/dbraw/zinc/80/49/77/476804977.db2.gz	IMQJTPXZCOQWPG-UHFFFAOYSA-N	-1	0	339.344	2.543	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1	ZINC000408785654	476973657	/nfs/dbraw/zinc/97/36/57/476973657.db2.gz	XQXRGAMEIBJFPU-XYOKQWHBSA-N	-1	0	342.738	2.712	40	10		EFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)c1C	ZINC000408899133	476974399	/nfs/dbraw/zinc/97/43/99/476974399.db2.gz	ZJZUOTVAHUZWNE-GXDHUFHOSA-N	-1	0	336.347	2.675	40	10		EFCBRM
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409044265	476977102	/nfs/dbraw/zinc/97/71/02/476977102.db2.gz	VBPFLXVHNCKQGE-UHFFFAOYSA-N	-1	0	343.166	2.532	40	10		EFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)c(C)c1	ZINC000409139323	476978383	/nfs/dbraw/zinc/97/83/83/476978383.db2.gz	MXSJQJUCTCOQGK-UKTHLTGXSA-N	-1	0	326.377	2.728	40	10		EFCBRM
CCCN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S	ZINC000409332380	476980779	/nfs/dbraw/zinc/98/07/79/476980779.db2.gz	QKWDDQZROIJLFJ-WQLSENKSSA-N	-1	0	337.422	2.761	40	10		EFCBRM
O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@@H](c2ccccc2O)C1	ZINC000102335822	304036111	/nfs/dbraw/zinc/03/61/11/304036111.db2.gz	CGSIDVFVAIWHBZ-CQSZACIVSA-N	-1	0	334.335	2.634	40	10		EFCBRM
COc1cccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1O	ZINC000000048782	209389723	/nfs/dbraw/zinc/38/97/23/209389723.db2.gz	XVVROJGKYJFUPK-MDWZMJQESA-N	-1	0	344.754	2.516	40	10		EFCBRM
Cn1cccc1C=C1SC(Nc2ccc(C(=O)[O-])c(O)c2)=NC1=O	ZINC000020227123	212113777	/nfs/dbraw/zinc/11/37/77/212113777.db2.gz	KFSMYTZDCASARK-MDWZMJQESA-N	-1	0	343.364	2.511	40	10		EFCBRM
COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000020210138	212112635	/nfs/dbraw/zinc/11/26/35/212112635.db2.gz	GSLOUHIRKLQWQE-UHFFFAOYSA-N	-1	0	345.742	2.729	40	10		EFCBRM
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1O	ZINC000095532077	218433665	/nfs/dbraw/zinc/43/36/65/218433665.db2.gz	KVEYKSGPUKGLHF-CYBMUJFWSA-N	-1	0	328.324	2.528	40	10		EFCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(C)C1=O	ZINC000006921060	210744265	/nfs/dbraw/zinc/74/42/65/210744265.db2.gz	ADSZPGYXSLKNEG-XYOKQWHBSA-N	-1	0	331.422	2.717	40	10		EFCBRM
O=C([O-])c1cc([N+](=O)[O-])c2c(c1Cl)C(=O)c1ccccc1C2=O	ZINC000255187239	304227804	/nfs/dbraw/zinc/22/78/04/304227804.db2.gz	CFEFEHNYIDVAKF-UHFFFAOYSA-N	-1	0	331.667	2.722	40	10		EFCBRM
CCOc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)[O-])C1=O	ZINC000000967030	286575764	/nfs/dbraw/zinc/57/57/64/286575764.db2.gz	JJLOCARCROSFKV-YXYQAXARSA-N	-1	0	337.422	2.760	40	10		EFCBRM
Nc1c(C(=O)[O-])c(Br)cc2c1C(=O)c1ccccc1C2=O	ZINC000004522755	303491886	/nfs/dbraw/zinc/49/18/86/303491886.db2.gz	VCZZKUGKLVKJKE-UHFFFAOYSA-N	-1	0	346.136	2.505	40	10		EFCBRM
CN(C)/N=N/c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000005957199	471527157	/nfs/dbraw/zinc/52/71/57/471527157.db2.gz	RRZYNIPFPRIUHP-FVGNFYTDSA-N	-1	0	340.383	2.673	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Br)cs1	ZINC000033779749	471986655	/nfs/dbraw/zinc/98/66/55/471986655.db2.gz	KJNOHGHHUMFJCG-GHXNOFRVSA-N	-1	0	349.209	2.972	40	10		EFCBRM
CCCCN1C(=O)[N-]C(=O)C(=CN[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1=O	ZINC000033849471	471987068	/nfs/dbraw/zinc/98/70/68/471987068.db2.gz	CZDQBOZKBPDLHX-KOMDYEAUSA-N	-1	0	347.459	2.553	40	10		EFCBRM
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1	ZINC000214539910	474137152	/nfs/dbraw/zinc/13/71/52/474137152.db2.gz	WEKBZLFVHMIPMC-UKTHLTGXSA-N	-1	0	334.397	2.654	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc(Cl)c1	ZINC000408867736	476973494	/nfs/dbraw/zinc/97/34/94/476973494.db2.gz	MSPMFKYHDLIGBG-NTEUORMPSA-N	-1	0	342.738	2.712	40	10		EFCBRM
CCOc1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1	ZINC000408819371	476973890	/nfs/dbraw/zinc/97/38/90/476973890.db2.gz	RPFQXTTUQRAJJZ-YBEGLDIGSA-N	-1	0	325.368	2.673	40	10		EFCBRM
O=C([N-]N1C(=O)/C(=C\c2ccncc2)SC1=S)c1cccs1	ZINC000409352236	476982738	/nfs/dbraw/zinc/98/27/38/476982738.db2.gz	WUXSYXRSKNCOAS-DHZHZOJOSA-N	-1	0	347.446	2.689	40	10		EFCBRM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNN1CCCCC1	ZINC000001271164	1094439323	/nfs/dbraw/zinc/43/93/23/1094439323.db2.gz	LVICXXJTYPZJFH-FYWRMAATSA-N	-1	0	346.431	2.670	40	10		EFCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000006635777	1098125031	/nfs/dbraw/zinc/12/50/31/1098125031.db2.gz	ITIMMRBHCBVKJH-AWPPVZKDSA-N	-1	0	338.454	2.870	40	10		EFCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000004193750	210144374	/nfs/dbraw/zinc/14/43/74/210144374.db2.gz	SAOQWLLQSLKEOS-HQQGHWSLSA-N	-1	0	336.438	2.926	40	10		EFCBRM
CCN1C(=O)/C(=C/c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000035073638	213007378	/nfs/dbraw/zinc/00/73/78/213007378.db2.gz	FHQPWGMNBBZSSU-POHAHGRESA-N	-1	0	340.382	2.530	40	10		EFCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373969	210450672	/nfs/dbraw/zinc/45/06/72/210450672.db2.gz	OHUJDNCKDNQJJI-LAPSENCUSA-N	-1	0	338.454	2.726	40	10		EFCBRM
COc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)[N-]C2=S)cc1	ZINC000000314020	286323515	/nfs/dbraw/zinc/32/35/15/286323515.db2.gz	NAAKIKHAHVUSCG-UKTHLTGXSA-N	-1	0	328.349	2.960	40	10		EFCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2F)SC1=S	ZINC000027530429	287512873	/nfs/dbraw/zinc/51/28/73/287512873.db2.gz	DUHKKYYBJIYIQX-UEUZTHOGSA-N	-1	0	325.386	2.890	40	10		EFCBRM
C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000021487212	298215977	/nfs/dbraw/zinc/21/59/77/298215977.db2.gz	HPDSJPINDQZMIO-OPYOOOJUSA-N	-1	0	332.406	2.842	40	10		EFCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c1C	ZINC000409136730	301997200	/nfs/dbraw/zinc/99/72/00/301997200.db2.gz	UVNHLDKDLPWSES-MDWZMJQESA-N	-1	0	326.377	2.728	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccnc3ccccc23)SC1=S	ZINC000001601174	471394079	/nfs/dbraw/zinc/39/40/79/471394079.db2.gz	JSOGWGYVQYGXMT-KPKJPENVSA-N	-1	0	330.390	2.521	40	10		EFCBRM
O=C1c2ccccc2C(=O)N1Cc1cc(Br)ccc1O	ZINC000001724545	471395900	/nfs/dbraw/zinc/39/59/00/471395900.db2.gz	GAVLKKLOKMACDC-UHFFFAOYSA-N	-1	0	332.153	2.951	40	10		EFCBRM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccncc2)SC1=S	ZINC000001766386	471397362	/nfs/dbraw/zinc/39/73/62/471397362.db2.gz	SJPNONWUANTENW-ZRDIBKRKSA-N	-1	0	336.438	2.928	40	10		EFCBRM
COCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O	ZINC000390834342	476804622	/nfs/dbraw/zinc/80/46/22/476804622.db2.gz	WRRMJACTBIQXEO-UHFFFAOYSA-N	-1	0	335.381	2.542	40	10		EFCBRM
COc1ccc(N2C(=O)/C(=C\c3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000408758727	476973966	/nfs/dbraw/zinc/97/39/66/476973966.db2.gz	PWKOPHSQEYBIIY-PTNGSMBKSA-N	-1	0	338.388	2.527	40	10		EFCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1F	ZINC000408907982	476974073	/nfs/dbraw/zinc/97/40/73/476974073.db2.gz	ABKSGQHOJSNLSY-MDWZMJQESA-N	-1	0	328.274	2.631	40	10		EFCBRM
COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408874442	476974322	/nfs/dbraw/zinc/97/43/22/476974322.db2.gz	BLPNDNDNAUPTAO-PTNGSMBKSA-N	-1	0	338.388	2.527	40	10		EFCBRM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000409403604	476982754	/nfs/dbraw/zinc/98/27/54/476982754.db2.gz	AEYNCZHFIWGBOA-LCYFTJDESA-N	-1	0	328.755	2.810	40	10		EFCBRM
CN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)SC1=S	ZINC000409136758	536305961	/nfs/dbraw/zinc/30/59/61/536305961.db2.gz	VFNOUVAGTJYPBY-SDQBBNPISA-N	-1	0	332.406	2.557	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1C	ZINC000001828326	1094561207	/nfs/dbraw/zinc/56/12/07/1094561207.db2.gz	SACDEIIESXEMIM-RVDMUPIBSA-N	-1	0	342.399	2.601	40	10		EFCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)c1	ZINC000409237008	292084147	/nfs/dbraw/zinc/08/41/47/292084147.db2.gz	ULZBYRSSDDFNHW-UKTHLTGXSA-N	-1	0	326.377	2.728	40	10		EFCBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005373815	286801624	/nfs/dbraw/zinc/80/16/24/286801624.db2.gz	RZROLVPZECBAGU-IAFAVEBVSA-N	-1	0	325.411	2.980	40	10		EFCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S	ZINC000027530424	287512877	/nfs/dbraw/zinc/51/28/77/287512877.db2.gz	JTCNRHMRKKQZJY-OYGDSYQHSA-N	-1	0	337.422	2.760	40	10		EFCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccncc3)C(=O)[N-]C2=S)c1	ZINC000408820938	301225507	/nfs/dbraw/zinc/22/55/07/301225507.db2.gz	AQSGIKSXAKQXPK-XNTDXEJSSA-N	-1	0	337.404	2.530	40	10		EFCBRM
Cc1cc(C)n2nc(N)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)c2n1	ZINC000006189305	301260256	/nfs/dbraw/zinc/26/02/56/301260256.db2.gz	VUWMQPTZIVCSFF-ISLYRVAYSA-N	-1	0	346.372	2.590	40	10		EFCBRM
COc1ccccc1[N-]S(=O)(=O)c1c2nsnc2ccc1C	ZINC000000175893	471331561	/nfs/dbraw/zinc/33/15/61/471331561.db2.gz	PNKXYCJYABKXOT-UHFFFAOYSA-N	-1	0	335.410	2.809	40	10		EFCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373967	471502273	/nfs/dbraw/zinc/50/22/73/471502273.db2.gz	OHUJDNCKDNQJJI-WBOGTDJTSA-N	-1	0	338.454	2.726	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1F	ZINC000005716834	471517402	/nfs/dbraw/zinc/51/74/02/471517402.db2.gz	UWLNVRUFLPKVFD-UKTHLTGXSA-N	-1	0	328.274	2.631	40	10		EFCBRM
CC(C)Oc1ccccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000033717040	471986911	/nfs/dbraw/zinc/98/69/11/471986911.db2.gz	UMRXSYOSQGWYCV-KPKJPENVSA-N	-1	0	337.422	2.760	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1C	ZINC000408780900	476973154	/nfs/dbraw/zinc/97/31/54/476973154.db2.gz	MUVFJOZXRPZRBX-XNTDXEJSSA-N	-1	0	336.347	2.675	40	10		EFCBRM
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc2ncccc2c1	ZINC000408965024	476975101	/nfs/dbraw/zinc/97/51/01/476975101.db2.gz	FRZBWMSLVQFNEH-LICLKQGHSA-N	-1	0	332.363	2.823	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(O)c1	ZINC000408937807	476975224	/nfs/dbraw/zinc/97/52/24/476975224.db2.gz	OYRMTJGZYURMBM-XFXZXTDPSA-N	-1	0	342.738	2.712	40	10		EFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3CC)C2=O)cc1	ZINC000408932668	476975899	/nfs/dbraw/zinc/97/58/99/476975899.db2.gz	DJOYGKAALUDUOW-FOWTUZBSSA-N	-1	0	337.379	2.737	40	10		EFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2C)C1=O	ZINC000409233071	476981544	/nfs/dbraw/zinc/98/15/44/476981544.db2.gz	JSAIYBLQWZIBPY-FMIVXFBMSA-N	-1	0	343.770	2.653	40	10		EFCBRM
Cn1cccc1C=C1SC(Nc2ccc(O)c(C(=O)[O-])c2)=NC1=O	ZINC000020227125	202037198	/nfs/dbraw/zinc/03/71/98/202037198.db2.gz	XWDWWHQEIYGJIA-MDWZMJQESA-N	-1	0	343.364	2.511	40	10		EFCBRM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(F)cc1	ZINC000102987069	204057939	/nfs/dbraw/zinc/05/79/39/204057939.db2.gz	GKQWVBRPLBCQTM-ATQAJOFPSA-N	-1	0	325.303	2.732	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000409203491	304656711	/nfs/dbraw/zinc/65/67/11/304656711.db2.gz	WQUNTSZXAJGRBO-NTEUORMPSA-N	-1	0	342.738	2.712	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1	ZINC000000332066	471347906	/nfs/dbraw/zinc/34/79/06/471347906.db2.gz	KHNBUAMZCRRQDT-LLPGWTFISA-N	-1	0	335.319	2.612	40	10		EFCBRM
COc1ccccc1/C=C1\C(=O)[N-]N(c2cccc(Cl)c2)C1=O	ZINC000000344832	471349646	/nfs/dbraw/zinc/34/96/46/471349646.db2.gz	PYISUPVLZTXYCG-NTEUORMPSA-N	-1	0	328.755	2.810	40	10		EFCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	ZINC000000359868	471350339	/nfs/dbraw/zinc/35/03/39/471350339.db2.gz	PXQXANSEPDZASE-NTEUORMPSA-N	-1	0	343.726	2.710	40	10		EFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccs2)C1=O	ZINC000000452686	471362658	/nfs/dbraw/zinc/36/26/58/471362658.db2.gz	ZQEQKCQLCQRCDK-ZRDIBKRKSA-N	-1	0	342.376	2.813	40	10		EFCBRM
NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCC2	ZINC000000486807	471364854	/nfs/dbraw/zinc/36/48/54/471364854.db2.gz	CUFORMQYNKUHGX-UHFFFAOYSA-N	-1	0	336.438	2.527	40	10		EFCBRM
CN(C)/N=N/c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000001581997	471393858	/nfs/dbraw/zinc/39/38/58/471393858.db2.gz	RRZYNIPFPRIUHP-BZROSYFNSA-N	-1	0	340.383	2.673	40	10		EFCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373973	471502599	/nfs/dbraw/zinc/50/25/99/471502599.db2.gz	XDYATQZBIMHXJA-BSXQHEMOSA-N	-1	0	338.454	2.726	40	10		EFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)cc1	ZINC000005713348	471517108	/nfs/dbraw/zinc/51/71/08/471517108.db2.gz	KLVXPKKGTZFEGJ-GXDHUFHOSA-N	-1	0	342.376	2.813	40	10		EFCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)[O-]	ZINC000106719372	472884224	/nfs/dbraw/zinc/88/42/24/472884224.db2.gz	NMFQTTSOKMHAPC-LFIBNONCSA-N	-1	0	336.347	2.956	40	10		EFCBRM
Cc1cc(C)cc(Cc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000408876174	476973353	/nfs/dbraw/zinc/97/33/53/476973353.db2.gz	JRTSDMHUPBMTSZ-UHFFFAOYSA-N	-1	0	334.375	2.644	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1O	ZINC000408880047	476973432	/nfs/dbraw/zinc/97/34/32/476973432.db2.gz	GSHJUVGNOPFNCI-UKTHLTGXSA-N	-1	0	342.738	2.712	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)c(C)c1	ZINC000408935662	476975181	/nfs/dbraw/zinc/97/51/81/476975181.db2.gz	ILDOXGRAMWBQKG-GDNBJRDFSA-N	-1	0	336.347	2.675	40	10		EFCBRM
Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1	ZINC000408976873	476975786	/nfs/dbraw/zinc/97/57/86/476975786.db2.gz	UNDIAWPMPSMCRE-UHFFFAOYSA-N	-1	0	330.727	2.658	40	10		EFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)o2)C1=O	ZINC000409221447	476979846	/nfs/dbraw/zinc/97/98/46/476979846.db2.gz	QJZPNYPUARKPOS-JLHYYAGUSA-N	-1	0	340.335	2.653	40	10		EFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000409373044	476982210	/nfs/dbraw/zinc/98/22/10/476982210.db2.gz	PXYBWILQKDMRSK-MDWZMJQESA-N	-1	0	330.727	2.595	40	10		EFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1Cl	ZINC000409371159	476983089	/nfs/dbraw/zinc/98/30/89/476983089.db2.gz	DREHBIWOOUUWKX-XYOKQWHBSA-N	-1	0	330.727	2.595	40	10		EFCBRM
Cc1noc(C2(NCc3cc(Cl)cc(F)c3[O-])CCOCC2)n1	ZINC000585140127	479297128	/nfs/dbraw/zinc/29/71/28/479297128.db2.gz	DPBODHIRGCUCAI-UHFFFAOYSA-N	-1	0	341.770	2.672	40	10		EFCBRM
CCOc1ccncc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1	ZINC000585140443	479297475	/nfs/dbraw/zinc/29/74/75/479297475.db2.gz	DUYWBVUVLWAIRI-UHFFFAOYSA-N	-1	0	347.440	2.881	40	10		EFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)c1	ZINC000103101303	1416762498	/nfs/dbraw/zinc/76/24/98/1416762498.db2.gz	NDZYJBGZMAJBMW-XNTDXEJSSA-N	-1	0	339.351	2.993	40	10		EFCBRM
O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)ccc1O	ZINC000054005191	214210747	/nfs/dbraw/zinc/21/07/47/214210747.db2.gz	BDEFEOURDPOUOU-SDQBBNPISA-N	-1	0	346.389	2.824	40	10		EFCBRM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(F)cc1	ZINC000104276001	219368989	/nfs/dbraw/zinc/36/89/89/219368989.db2.gz	GKQWVBRPLBCQTM-SXZOAGKDSA-N	-1	0	325.303	2.732	40	10		EFCBRM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(F)cc1	ZINC000104275996	219369678	/nfs/dbraw/zinc/36/96/78/219369678.db2.gz	GKQWVBRPLBCQTM-BVGIJJTOSA-N	-1	0	325.303	2.732	40	10		EFCBRM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2O)SC1=S	ZINC000004976541	210345982	/nfs/dbraw/zinc/34/59/82/210345982.db2.gz	QCZXCYPLOQQSTI-VNKGSWCUSA-N	-1	0	337.422	2.703	40	10		EFCBRM
COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000005513467	544421747	/nfs/dbraw/zinc/42/17/47/544421747.db2.gz	LROLDWZBQCFPAE-GDNBJRDFSA-N	-1	0	328.755	2.810	40	10		EFCBRM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375016	279799538	/nfs/dbraw/zinc/79/95/38/279799538.db2.gz	WAZZWDXMJRHEQU-OTAKNEKHSA-N	-1	0	349.433	2.810	40	10		EFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c1	ZINC000408881667	301547418	/nfs/dbraw/zinc/54/74/18/301547418.db2.gz	MAQOBMFJSRBRDF-XNTDXEJSSA-N	-1	0	336.347	2.675	40	10		EFCBRM
COc1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1	ZINC000000344843	471349969	/nfs/dbraw/zinc/34/99/69/471349969.db2.gz	HJNHBTUPGKWFQR-OQLLNIDSSA-N	-1	0	328.755	2.810	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S	ZINC000000966922	471379027	/nfs/dbraw/zinc/37/90/27/471379027.db2.gz	DOMOTUMTOUMEGU-RUDMXATFSA-N	-1	0	331.777	2.765	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C/c2c(O)ccc3ccccc32)SC1=S	ZINC000003030771	471431951	/nfs/dbraw/zinc/43/19/51/471431951.db2.gz	NYMXURLOWOPGBO-QPEQYQDCSA-N	-1	0	345.401	2.831	40	10		EFCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2cccnc2)S1	ZINC000005373241	471502243	/nfs/dbraw/zinc/50/22/43/471502243.db2.gz	FJEXTAXVKRZJSX-JYRVWZFOSA-N	-1	0	325.349	2.862	40	10		EFCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373979	471502308	/nfs/dbraw/zinc/50/23/08/471502308.db2.gz	XDYATQZBIMHXJA-HRPQUPTPSA-N	-1	0	338.454	2.726	40	10		EFCBRM
O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccncc3)S2)c1	ZINC000005552068	471510197	/nfs/dbraw/zinc/51/01/97/471510197.db2.gz	OFSMHMOFTNDWKB-JYRVWZFOSA-N	-1	0	325.349	2.862	40	10		EFCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	ZINC000005583332	471511901	/nfs/dbraw/zinc/51/19/01/471511901.db2.gz	AAXSWXUVQSDDGX-LCYFTJDESA-N	-1	0	343.726	2.710	40	10		EFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1Cl	ZINC000005893770	471523850	/nfs/dbraw/zinc/52/38/50/471523850.db2.gz	CYZLYHHQWPPPIM-FLIBITNWSA-N	-1	0	346.726	2.608	40	10		EFCBRM
CCn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21	ZINC000006243890	471536434	/nfs/dbraw/zinc/53/64/34/471536434.db2.gz	OHKQLZZGIMTJBG-NTUHNPAUSA-N	-1	0	346.433	2.947	40	10		EFCBRM
CN(C)/N=N\c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000017139037	471957576	/nfs/dbraw/zinc/95/75/76/471957576.db2.gz	RRZYNIPFPRIUHP-JHBCHSCWSA-N	-1	0	340.383	2.673	40	10		EFCBRM
N#CCn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc21	ZINC000033387108	471983962	/nfs/dbraw/zinc/98/39/62/471983962.db2.gz	DBQOHWQVIMTQFT-ATVHPVEESA-N	-1	0	342.358	2.626	40	10		EFCBRM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)o1	ZINC000033620840	471985660	/nfs/dbraw/zinc/98/56/60/471985660.db2.gz	MVNVDVIJQULBBE-QINSGFPZSA-N	-1	0	325.368	2.587	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)s1	ZINC000033731555	471986278	/nfs/dbraw/zinc/98/62/78/471986278.db2.gz	HGHXEUPSUNCVIH-FLIBITNWSA-N	-1	0	349.209	2.972	40	10		EFCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408810161	476973326	/nfs/dbraw/zinc/97/33/26/476973326.db2.gz	TTXWZWPUYCWSAA-NTCAYCPXSA-N	-1	0	336.347	2.752	40	10		EFCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408884667	476973420	/nfs/dbraw/zinc/97/34/20/476973420.db2.gz	VGYVHLLKCCYJLX-FOWTUZBSSA-N	-1	0	336.347	2.752	40	10		EFCBRM
Cn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O	ZINC000409239992	476980834	/nfs/dbraw/zinc/98/08/34/476980834.db2.gz	NVCSYWRQCGCYHM-PKNBQFBNSA-N	-1	0	345.811	2.510	40	10		EFCBRM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1	ZINC000409237046	476981263	/nfs/dbraw/zinc/98/12/63/476981263.db2.gz	VGZRNFMDYDIAGV-UHFFFAOYSA-N	-1	0	338.388	2.896	40	10		EFCBRM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccoc1	ZINC000409239740	476981387	/nfs/dbraw/zinc/98/13/87/476981387.db2.gz	DTNOFDUYGHKXND-JXMROGBWSA-N	-1	0	332.768	2.764	40	10		EFCBRM
COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(C(C)(C)C)C2=O)c1	ZINC000103122209	1416764800	/nfs/dbraw/zinc/76/48/00/1416764800.db2.gz	BLWZLZMXJXPXCT-PKNBQFBNSA-N	-1	0	347.371	2.717	40	10		EFCBRM
CCSc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])ccn1	ZINC000053756723	214196700	/nfs/dbraw/zinc/19/67/00/214196700.db2.gz	QIVLCKZYYQTRRI-UHFFFAOYSA-N	-1	0	333.369	2.737	40	10		EFCBRM
COc1cccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1	ZINC000004094124	210118437	/nfs/dbraw/zinc/11/84/37/210118437.db2.gz	JQUBNHILWJXAKG-DHDCSXOGSA-N	-1	0	328.755	2.810	40	10		EFCBRM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1Cl	ZINC000226095709	242089843	/nfs/dbraw/zinc/08/98/43/242089843.db2.gz	HONDJASTOAUSTJ-YRNVUSSQSA-N	-1	0	347.714	2.611	40	10		EFCBRM
Cn1cccc1C=C1SC(Nc2ccc(C(=O)[O-])cc2)=NC1=O	ZINC000020227121	212113940	/nfs/dbraw/zinc/11/39/40/212113940.db2.gz	YRWJXUSRWGTEJC-UKTHLTGXSA-N	-1	0	327.365	2.806	40	10		EFCBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375009	210451668	/nfs/dbraw/zinc/45/16/68/210451668.db2.gz	PMXYARXUNGBKNG-OEMOTLHWSA-N	-1	0	349.433	2.954	40	10		EFCBRM
COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1O	ZINC000038184646	132396632	/nfs/dbraw/zinc/39/66/32/132396632.db2.gz	MLXPNJIFQGKOFI-RAXLEYEMSA-N	-1	0	338.319	2.908	40	10		EFCBRM
Cc1cc2oc(=O)c3c(c2c([O-])c1CN1CCOCC1)CCCC3	ZINC000033848891	292026738	/nfs/dbraw/zinc/02/67/38/292026738.db2.gz	BCQLHFVQWGYQHJ-UHFFFAOYSA-N	-1	0	329.396	2.518	40	10		EFCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)c1	ZINC000409018576	301225565	/nfs/dbraw/zinc/22/55/65/301225565.db2.gz	HTGDOKRDGKVTQR-NTEUORMPSA-N	-1	0	326.377	2.728	40	10		EFCBRM
O=Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000005375001	471502125	/nfs/dbraw/zinc/50/21/25/471502125.db2.gz	LKTRFFMLFIXLTA-WQLSENKSSA-N	-1	0	335.406	2.565	40	10		EFCBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005373809	471502840	/nfs/dbraw/zinc/50/28/40/471502840.db2.gz	RZROLVPZECBAGU-PVVKEOSYSA-N	-1	0	325.411	2.980	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c2c(ccc1Cl)OCO2	ZINC000005603849	471512751	/nfs/dbraw/zinc/51/27/51/471512751.db2.gz	GPCHEPGJMFJNNW-WQLSENKSSA-N	-1	0	342.738	2.530	40	10		EFCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(C[C@H]3CCCO3)c2C)C1=O	ZINC000059109285	472623330	/nfs/dbraw/zinc/62/33/30/472623330.db2.gz	OSBQWOSUJVNYJK-UWZYDCLUSA-N	-1	0	345.399	2.606	40	10		EFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccccc1Cl	ZINC000105300069	472743218	/nfs/dbraw/zinc/74/32/18/472743218.db2.gz	STLGUKIFSFUETD-FLIBITNWSA-N	-1	0	345.742	2.507	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1Cl	ZINC000108083065	473000168	/nfs/dbraw/zinc/00/01/68/473000168.db2.gz	HEWHUZVZLOJWMN-JYRVWZFOSA-N	-1	0	343.726	2.710	40	10		EFCBRM
CCN1c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2[C@H](C)CC1(C)C	ZINC000113790003	473418349	/nfs/dbraw/zinc/41/83/49/473418349.db2.gz	ZHBVMTVTPIXUCR-LLVKDONJSA-N	-1	0	341.411	2.548	40	10		EFCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc(F)c1	ZINC000408909365	476973780	/nfs/dbraw/zinc/97/37/80/476973780.db2.gz	GTOBSLOSEMXDFS-RIYZIHGNSA-N	-1	0	328.274	2.631	40	10		EFCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408965943	476974654	/nfs/dbraw/zinc/97/46/54/476974654.db2.gz	XVRVFXQFJIELNB-GXDHUFHOSA-N	-1	0	343.770	2.828	40	10		EFCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000408932301	476975193	/nfs/dbraw/zinc/97/51/93/476975193.db2.gz	VKXUEUUUFNMOEY-SDNWHVSQSA-N	-1	0	339.420	2.648	40	10		EFCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccsc2)C1=O	ZINC000409234707	476981190	/nfs/dbraw/zinc/98/11/90/476981190.db2.gz	XLIKFHRSEPSKLH-FMIVXFBMSA-N	-1	0	342.376	2.813	40	10		EFCBRM
CCCN1C(=O)N/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409244170	476981743	/nfs/dbraw/zinc/98/17/43/476981743.db2.gz	YVSIDVYMHGTOJM-UVTDQMKNSA-N	-1	0	340.335	2.948	40	10		EFCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2cccnc2)S1	ZINC000035648163	1099556258	/nfs/dbraw/zinc/55/62/58/1099556258.db2.gz	FJEXTAXVKRZJSX-MDWZMJQESA-N	-1	0	325.349	2.862	40	10		EFCBRM
COc1ccc(N=Nc2c(C)[n-]n(C(=O)c3ccncc3)c2=O)cc1	ZINC000104204139	219360793	/nfs/dbraw/zinc/36/07/93/219360793.db2.gz	USMQMOHXACCYKA-MVZUJROASA-N	-1	0	337.339	2.601	40	10		EFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNCc2ccccc2)C1=O	ZINC000408530148	242551588	/nfs/dbraw/zinc/55/15/88/242551588.db2.gz	ITVSPZXCLBONSV-DTQAZKPQSA-N	-1	0	349.390	2.506	40	10		EFCBRM
O=C([O-])[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21	ZINC000058850917	304154845	/nfs/dbraw/zinc/15/48/45/304154845.db2.gz	QOCVFFNNYGFKLH-VDDIYKPWSA-N	-1	0	341.148	2.830	40	10		EFCBRM
CCCOc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000016904835	211940900	/nfs/dbraw/zinc/94/09/00/211940900.db2.gz	DSCFRUFJBDTWSK-WQLSENKSSA-N	-1	0	337.422	2.761	40	10		EFCBRM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c1	ZINC000409011982	291846119	/nfs/dbraw/zinc/84/61/19/291846119.db2.gz	PNOVVXFOINARHM-RIYZIHGNSA-N	-1	0	326.377	2.728	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S	ZINC000143547782	473276695	/nfs/dbraw/zinc/27/66/95/473276695.db2.gz	IEXBNGPRLUBIBP-UKTHLTGXSA-N	-1	0	348.449	2.573	40	10		EFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(CC)C2=O)c2ccccc12	ZINC000000555365	471370542	/nfs/dbraw/zinc/37/05/42/471370542.db2.gz	VTMAELMPZSGFJH-RVDMUPIBSA-N	-1	0	338.363	2.720	40	10		EFCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1O	ZINC000005374580	471502717	/nfs/dbraw/zinc/50/27/17/471502717.db2.gz	CKFAQVVCAOFCFQ-SDQBBNPISA-N	-1	0	346.389	2.824	40	10		EFCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(C[C@@H]3CCCO3)c2C)C1=O	ZINC000059109284	472623287	/nfs/dbraw/zinc/62/32/87/472623287.db2.gz	OSBQWOSUJVNYJK-AHSSXEFNSA-N	-1	0	345.399	2.606	40	10		EFCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408884337	476973531	/nfs/dbraw/zinc/97/35/31/476973531.db2.gz	UBPGOEJCZJAVDE-LFIBNONCSA-N	-1	0	336.347	2.670	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)c(C)c1	ZINC000408890749	476973725	/nfs/dbraw/zinc/97/37/25/476973725.db2.gz	YPLHALMOQPTZLX-XNTDXEJSSA-N	-1	0	336.347	2.675	40	10		EFCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(F)cc1	ZINC000408914409	476974225	/nfs/dbraw/zinc/97/42/25/476974225.db2.gz	XUGOEGVFSDFVBB-RIYZIHGNSA-N	-1	0	328.274	2.631	40	10		EFCBRM
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2[O-])S1	ZINC000409084765	476977300	/nfs/dbraw/zinc/97/73/00/476977300.db2.gz	QIRWXJWXSNYYBF-YCRREMRBSA-N	-1	0	331.180	2.805	40	10		EFCBRM
CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000409374061	476982609	/nfs/dbraw/zinc/98/26/09/476982609.db2.gz	YJCZUIWIWTZHGW-NTEUORMPSA-N	-1	0	342.376	2.664	40	10		EFCBRM
Cc1noc(C)c1CCC(=O)NCc1ccc2cccnc2c1O	ZINC000585141338	479299403	/nfs/dbraw/zinc/29/94/03/479299403.db2.gz	UFJOLDPALBJCJA-UHFFFAOYSA-N	-1	0	325.368	2.794	40	10		EFCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000004193749	210144029	/nfs/dbraw/zinc/14/40/29/210144029.db2.gz	SAOQWLLQSLKEOS-LCFDYFRESA-N	-1	0	336.438	2.926	40	10		EFCBRM
O=C([O-])CSC1=N[C@@H](c2ccccc2O)C[C@@H](C(F)(F)F)N1	ZINC000012844509	201870010	/nfs/dbraw/zinc/87/00/10/201870010.db2.gz	LXCZXNINECDTTR-SCZZXKLOSA-N	-1	0	334.319	2.531	40	10		EFCBRM
CC(C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000033717039	202269084	/nfs/dbraw/zinc/26/90/84/202269084.db2.gz	UMRXSYOSQGWYCV-GHXNOFRVSA-N	-1	0	337.422	2.760	40	10		EFCBRM
Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)[O-])C1=O	ZINC000408959751	257885608	/nfs/dbraw/zinc/88/56/08/257885608.db2.gz	FGGHJBGUIVDKHC-ZROIWOOFSA-N	-1	0	346.408	2.716	40	10		EFCBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccs1	ZINC000409021758	280281131	/nfs/dbraw/zinc/28/11/31/280281131.db2.gz	XOXPZRIOCVLJKW-XYOKQWHBSA-N	-1	0	332.381	2.719	40	10		EFCBRM
COc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000000359862	471350648	/nfs/dbraw/zinc/35/06/48/471350648.db2.gz	TYBMVRYUZBTROC-GXDHUFHOSA-N	-1	0	328.755	2.810	40	10		EFCBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375010	471502511	/nfs/dbraw/zinc/50/25/11/471502511.db2.gz	PMXYARXUNGBKNG-YFBAIUBQSA-N	-1	0	349.433	2.954	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)cc1C	ZINC000006503800	471547074	/nfs/dbraw/zinc/54/70/74/471547074.db2.gz	AMFGIIRHBIZMHW-ATVHPVEESA-N	-1	0	349.390	2.560	40	10		EFCBRM
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\NC(=O)[N-]C2=O)c1C	ZINC000015226962	471893444	/nfs/dbraw/zinc/89/34/44/471893444.db2.gz	ACFJEAOTGJWNKB-QPEQYQDCSA-N	-1	0	345.786	2.936	40	10		EFCBRM
O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccncc1	ZINC000016385327	471935236	/nfs/dbraw/zinc/93/52/36/471935236.db2.gz	ZRPUSPIAPSSYNJ-YRNVUSSQSA-N	-1	0	334.162	2.850	40	10		EFCBRM
CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cccc1OC	ZINC000033406412	471984596	/nfs/dbraw/zinc/98/45/96/471984596.db2.gz	QHUHKMJJSSGQQF-QINSGFPZSA-N	-1	0	338.363	2.555	40	10		EFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc(Cl)c1	ZINC000408547081	476966770	/nfs/dbraw/zinc/96/67/70/476966770.db2.gz	SGQVIPLVMSSXHK-JYRVWZFOSA-N	-1	0	345.742	2.507	40	10		EFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1	ZINC000408913980	476973254	/nfs/dbraw/zinc/97/32/54/476973254.db2.gz	WRJLYNVMDNEWMV-OQLLNIDSSA-N	-1	0	340.310	2.501	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1O	ZINC000408890794	476974388	/nfs/dbraw/zinc/97/43/88/476974388.db2.gz	ZJHUWTFKCJMPDK-PKNBQFBNSA-N	-1	0	342.738	2.712	40	10		EFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)c1	ZINC000408933453	476975946	/nfs/dbraw/zinc/97/59/46/476975946.db2.gz	AARGXVLGBOAKIR-GDNBJRDFSA-N	-1	0	336.347	2.675	40	10		EFCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNN1CCCCCC1	ZINC000034221703	1099539755	/nfs/dbraw/zinc/53/97/55/1099539755.db2.gz	XMOUETDSFIOWGG-OWBHPGMISA-N	-1	0	344.440	2.539	40	10		EFCBRM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000021487211	295802056	/nfs/dbraw/zinc/80/20/56/295802056.db2.gz	HPDSJPINDQZMIO-UGZWPXFQSA-N	-1	0	332.406	2.842	40	10		EFCBRM
COc1ccc(N=Nc2c(C)[n-]n(C(=O)c3ccncc3)c2=O)cc1	ZINC000104204146	219361253	/nfs/dbraw/zinc/36/12/53/219361253.db2.gz	USMQMOHXACCYKA-DNTCVELPSA-N	-1	0	337.339	2.601	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc3ccccc3n2)SC1=S	ZINC000001601176	209765548	/nfs/dbraw/zinc/76/55/48/209765548.db2.gz	PLONLYDWXJIJTK-KPKJPENVSA-N	-1	0	330.390	2.521	40	10		EFCBRM
O=C([O-])CSC1=N[C@H](c2ccccc2O)C[C@@H](C(F)(F)F)N1	ZINC000012844504	304071804	/nfs/dbraw/zinc/07/18/04/304071804.db2.gz	LXCZXNINECDTTR-WPRPVWTQSA-N	-1	0	334.319	2.531	40	10		EFCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(O)c(O)c1	ZINC000020033341	212095147	/nfs/dbraw/zinc/09/51/47/212095147.db2.gz	DTXKOBNMNCGVCB-ZSOIEALJSA-N	-1	0	338.319	2.602	40	10		EFCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000006563850	210655296	/nfs/dbraw/zinc/65/52/96/210655296.db2.gz	BVULSQXCOXUJCA-HQQGHWSLSA-N	-1	0	338.454	2.726	40	10		EFCBRM
CN(C1=NC(=O)/C(=C\c2cccn2C)S1)c1ccccc1C(=O)[O-]	ZINC000005374466	210452231	/nfs/dbraw/zinc/45/22/31/210452231.db2.gz	VINUNYFXLJKVHK-GXDHUFHOSA-N	-1	0	341.392	2.830	40	10		EFCBRM
CCCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(O)cc2)C1=O	ZINC000005043993	210373201	/nfs/dbraw/zinc/37/32/01/210373201.db2.gz	PYHFEZDNAHYJKE-VBKFSLOCSA-N	-1	0	338.363	2.642	40	10		EFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C	ZINC000002976942	471429917	/nfs/dbraw/zinc/42/99/17/471429917.db2.gz	QVLSRGJWCRBMDD-RIYZIHGNSA-N	-1	0	327.340	2.737	40	10		EFCBRM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000013879894	471845146	/nfs/dbraw/zinc/84/51/46/471845146.db2.gz	NLBCELJQHBEUJT-XNTDXEJSSA-N	-1	0	337.335	2.809	40	10		EFCBRM
CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)o1	ZINC000059135085	472623006	/nfs/dbraw/zinc/62/30/06/472623006.db2.gz	UUYIEBBHUIJPEX-UKTHLTGXSA-N	-1	0	343.314	2.991	40	10		EFCBRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1	ZINC000096435719	473414772	/nfs/dbraw/zinc/41/47/72/473414772.db2.gz	OHEVCGUUUMADPR-UHFFFAOYSA-N	-1	0	347.371	2.826	40	10		EFCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Cl)cc1	ZINC000408547020	476966545	/nfs/dbraw/zinc/96/65/45/476966545.db2.gz	DSMOFQXPVLCCJX-JYRVWZFOSA-N	-1	0	345.742	2.507	40	10		EFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Cc3ccccc3Cl)cc2)C(=O)N1	ZINC000408878222	476974041	/nfs/dbraw/zinc/97/40/41/476974041.db2.gz	YKCZKPXPFLJSNL-UHFFFAOYSA-N	-1	0	340.766	2.680	40	10		EFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O	ZINC000409199921	476980092	/nfs/dbraw/zinc/98/00/92/476980092.db2.gz	FRLHCTRKJQVYCJ-DHZHZOJOSA-N	-1	0	330.727	2.908	40	10		EFCBRM
O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNCc1cccnc1	ZINC000103119682	1416763029	/nfs/dbraw/zinc/76/30/29/1416763029.db2.gz	XQMKLBLSIYVMEB-QINSGFPZSA-N	-1	0	342.399	2.697	40	10		EFCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000005284601	1097436708	/nfs/dbraw/zinc/43/67/08/1097436708.db2.gz	VMDVEVOKSMZOLJ-QBQSQJOESA-N	-1	0	325.411	2.980	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNN1CCCCC1	ZINC000008656538	1099027623	/nfs/dbraw/zinc/02/76/23/1099027623.db2.gz	VWMYPSYUGGKKJG-ZHACJKMWSA-N	-1	0	348.790	2.638	40	10		EFCBRM
CCOC(=O)c1oc2c(O)c([O-])ccc2c(=O)c1-c1csc(C)n1	ZINC000026571628	1099435153	/nfs/dbraw/zinc/43/51/53/1099435153.db2.gz	UPVQQNOGZUQPST-UHFFFAOYSA-N	-1	0	347.348	2.813	40	10		EFCBRM
COc1ccccc1/C=C/C=C1/SC(=S)N(CCC(=O)[O-])C1=O	ZINC000097990675	219065711	/nfs/dbraw/zinc/06/57/11/219065711.db2.gz	PAHGFTBEZXXNAY-HDZFOZLDSA-N	-1	0	349.433	2.927	40	10		EFCBRM
COc1ccc(N=Nc2c(C)[n-]n(C(=O)c3ccncc3)c2=O)cc1	ZINC000104204149	219360965	/nfs/dbraw/zinc/36/09/65/219360965.db2.gz	USMQMOHXACCYKA-CVTQAYBASA-N	-1	0	337.339	2.601	40	10		EFCBRM
O=C(Cc1c[nH]c2ccccc12)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035739268	213047094	/nfs/dbraw/zinc/04/70/94/213047094.db2.gz	RXCBJOOYXVKGKG-UHFFFAOYSA-N	-1	0	325.324	2.641	40	10		EFCBRM
CCOc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000000436825	209599602	/nfs/dbraw/zinc/59/96/02/209599602.db2.gz	IBXAHTBVZLSCMC-RVDMUPIBSA-N	-1	0	338.363	2.555	40	10		EFCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCC(=O)[O-])c1	ZINC000409066786	242561712	/nfs/dbraw/zinc/56/17/12/242561712.db2.gz	NZWRDYQMPSJKJB-BOPFTXTBSA-N	-1	0	336.347	2.956	40	10		EFCBRM
CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000006951795	210749693	/nfs/dbraw/zinc/74/96/93/210749693.db2.gz	UVUXDSHOOAENML-NTEUORMPSA-N	-1	0	340.335	2.866	40	10		EFCBRM
Cn1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1	ZINC000005373933	210449945	/nfs/dbraw/zinc/44/99/45/210449945.db2.gz	AGLOTSOJSPKJMS-FMIVXFBMSA-N	-1	0	338.454	2.871	40	10		EFCBRM
Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408996800	257883259	/nfs/dbraw/zinc/88/32/59/257883259.db2.gz	NEGUTUUDNAVOEB-XYOKQWHBSA-N	-1	0	330.340	2.862	40	10		EFCBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373976	286801558	/nfs/dbraw/zinc/80/15/58/286801558.db2.gz	XDYATQZBIMHXJA-WYJAURJOSA-N	-1	0	338.454	2.726	40	10		EFCBRM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/C=C/c1ccco1	ZINC000409021916	280281137	/nfs/dbraw/zinc/28/11/37/280281137.db2.gz	AAIDKHAQGIBXFJ-BOAPOFAJSA-N	-1	0	342.351	2.806	40	10		EFCBRM
Cc1ccsc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000000105107	302298952	/nfs/dbraw/zinc/29/89/52/302298952.db2.gz	HWHGAFQQHAYIKE-WQLSENKSSA-N	-1	0	330.340	2.862	40	10		EFCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000000359870	471350393	/nfs/dbraw/zinc/35/03/93/471350393.db2.gz	PXQXANSEPDZASE-ZROIWOOFSA-N	-1	0	343.726	2.710	40	10		EFCBRM
O=C([N-]N1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1F	ZINC000005552786	471509868	/nfs/dbraw/zinc/50/98/68/471509868.db2.gz	DFTKABSAPDAZML-WQLSENKSSA-N	-1	0	347.396	2.700	40	10		EFCBRM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1cccs1	ZINC000005671017	471516611	/nfs/dbraw/zinc/51/66/11/471516611.db2.gz	BYTBTVUPGMKVHA-WQLSENKSSA-N	-1	0	349.209	2.972	40	10		EFCBRM
Cc1cc(Cl)c([O-])c(C(=O)C(=O)[C@@H](O)c2ccc3c(c2)OCO3)c1	ZINC000006484296	471547415	/nfs/dbraw/zinc/54/74/15/471547415.db2.gz	AKFNKYUUKDVBCU-AWEZNQCLSA-N	-1	0	348.738	2.568	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)CCC2	ZINC000006575374	471551199	/nfs/dbraw/zinc/55/11/99/471551199.db2.gz	FSQAYOZDWTXOEK-SFQUDFHCSA-N	-1	0	332.359	2.842	40	10		EFCBRM
COc1cc(C(C)=C2SC(=S)N=C2[O-])cc(OC)c1OC	ZINC000017422888	471963104	/nfs/dbraw/zinc/96/31/04/471963104.db2.gz	VUCTYMMRFTUOOG-KPKJPENVSA-N	-1	0	325.411	2.591	40	10		EFCBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1O	ZINC000033315198	471983349	/nfs/dbraw/zinc/98/33/49/471983349.db2.gz	GRRPOXCUAPPXSN-JYRVWZFOSA-N	-1	0	344.754	2.516	40	10		EFCBRM
CCCCN1C(=O)[N-]C(=O)C(=CN[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C1=O	ZINC000033849472	471986939	/nfs/dbraw/zinc/98/69/39/471986939.db2.gz	CZDQBOZKBPDLHX-WQEGZOHGSA-N	-1	0	347.459	2.553	40	10		EFCBRM
CN1C(=O)/C(=C\c2cc(Br)c(O)cc2O)SC1=S	ZINC000408719214	476972886	/nfs/dbraw/zinc/97/28/86/476972886.db2.gz	NJOWMBMXTLRLIP-YCRREMRBSA-N	-1	0	346.227	2.691	40	10		EFCBRM
Cc1cc(C)cc(Cc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)c1	ZINC000408871296	476974113	/nfs/dbraw/zinc/97/41/13/476974113.db2.gz	XOOVVECXXCHEHX-UHFFFAOYSA-N	-1	0	334.375	2.644	40	10		EFCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccco2)C1=O	ZINC000409211487	476980244	/nfs/dbraw/zinc/98/02/44/476980244.db2.gz	JMCUBZPEFFABOK-XYOKQWHBSA-N	-1	0	330.727	2.908	40	10		EFCBRM
CCCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S	ZINC000409343515	476981639	/nfs/dbraw/zinc/98/16/39/476981639.db2.gz	DRNCOWFBPBSYCE-WQLSENKSSA-N	-1	0	337.422	2.761	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCc3ccco3)C2=O)cc1C	ZINC000103121876	1416764961	/nfs/dbraw/zinc/76/49/61/1416764961.db2.gz	QUDVENBILOBTPH-XNTDXEJSSA-N	-1	0	339.351	2.993	40	10		EFCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000006563793	1098109267	/nfs/dbraw/zinc/10/92/67/1098109267.db2.gz	BVULSQXCOXUJCA-LCFDYFRESA-N	-1	0	338.454	2.726	40	10		EFCBRM
Cc1[n-]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc(F)cc1	ZINC000059364670	214619163	/nfs/dbraw/zinc/61/91/63/214619163.db2.gz	GKQWVBRPLBCQTM-YISVQYQQSA-N	-1	0	325.303	2.732	40	10		EFCBRM
O=C1C([O-])=C(c2ccccc2)C(=O)[C@@]1(Br)c1ccccc1	ZINC000001722472	209786746	/nfs/dbraw/zinc/78/67/46/209786746.db2.gz	IBGCUUFUSPBCOE-GUYCJALGSA-N	-1	0	343.176	2.782	40	10		EFCBRM
O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@H](c2ccccc2O)C1	ZINC000102335821	304035757	/nfs/dbraw/zinc/03/57/57/304035757.db2.gz	CGSIDVFVAIWHBZ-AWEZNQCLSA-N	-1	0	334.335	2.634	40	10		EFCBRM
Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000226860673	242116635	/nfs/dbraw/zinc/11/66/35/242116635.db2.gz	JXCMVJDJERAXJN-UHFFFAOYSA-N	-1	0	341.772	2.853	40	10		EFCBRM
CCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000009323442	211067591	/nfs/dbraw/zinc/06/75/91/211067591.db2.gz	OTQVNHJQQLQSAQ-UKTHLTGXSA-N	-1	0	326.308	2.557	40	10		EFCBRM
O=C([O-])c1ccc2c(c1)C(=O)c1c(O)c3ccccc3c(O)c1C2=O	ZINC000004934733	304252169	/nfs/dbraw/zinc/25/21/69/304252169.db2.gz	UONGPEPIFCJNBM-UHFFFAOYSA-N	-1	0	334.283	2.725	40	10		EFCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373962	210450833	/nfs/dbraw/zinc/45/08/33/210450833.db2.gz	WWQNXUZNTIDQME-OYGDSYQHSA-N	-1	0	338.454	2.870	40	10		EFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(Sc3ccccc3Cl)o2)C(=O)N1	ZINC000005028545	210367182	/nfs/dbraw/zinc/36/71/82/210367182.db2.gz	ZYPWHRJOUXLMBU-UHFFFAOYSA-N	-1	0	348.767	2.834	40	10		EFCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O	ZINC000408943003	257885732	/nfs/dbraw/zinc/88/57/32/257885732.db2.gz	XSMMETFAGMIYSB-RVDMUPIBSA-N	-1	0	339.420	2.648	40	10		EFCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375007	287512839	/nfs/dbraw/zinc/51/28/39/287512839.db2.gz	QJNTWMPFCCALDZ-HBZGRHIISA-N	-1	0	335.406	2.564	40	10		EFCBRM
COc1ccc2c(c1)[nH]c(C(=O)[O-])c2/C=C1\SC(=S)N(C)C1=O	ZINC000256055538	295276935	/nfs/dbraw/zinc/27/69/35/295276935.db2.gz	KDHITKIDUNANHD-WDZFZDKYSA-N	-1	0	348.405	2.706	40	10		EFCBRM
Cc1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C(N)=O)c1C	ZINC000027931354	302880734	/nfs/dbraw/zinc/88/07/34/302880734.db2.gz	XEOBQNHDVUIYFH-UHFFFAOYSA-N	-1	0	344.845	2.918	40	10		EFCBRM
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1O	ZINC000095532076	473222541	/nfs/dbraw/zinc/22/25/41/473222541.db2.gz	KVEYKSGPUKGLHF-ZDUSSCGKSA-N	-1	0	328.324	2.528	40	10		EFCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3)C2=O)cc1	ZINC000004692951	471472759	/nfs/dbraw/zinc/47/27/59/471472759.db2.gz	MNEQBEAHIJMPEB-VBKFSLOCSA-N	-1	0	336.347	2.752	40	10		EFCBRM
COc1ccc([N-]S(=O)(=O)c2cc(C)cc3nsnc32)cc1	ZINC000016284105	471929461	/nfs/dbraw/zinc/92/94/61/471929461.db2.gz	TVVRGXBCMQUOOE-UHFFFAOYSA-N	-1	0	335.410	2.809	40	10		EFCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccnc1	ZINC000059135699	472623196	/nfs/dbraw/zinc/62/31/96/472623196.db2.gz	QNUZWLNOJKUGPT-DHZHZOJOSA-N	-1	0	327.340	2.892	40	10		EFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c(C)c1	ZINC000409125997	476977734	/nfs/dbraw/zinc/97/77/34/476977734.db2.gz	ANQFIRRLAFCTEW-MDWZMJQESA-N	-1	0	326.377	2.728	40	10		EFCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccco3)C(=O)[N-]C2=S)c1C	ZINC000409130100	476978785	/nfs/dbraw/zinc/97/87/85/476978785.db2.gz	UAGPZBWIUYNTET-UKTHLTGXSA-N	-1	0	326.377	2.728	40	10		EFCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccoc3)C(=O)[N-]C2=S)c1	ZINC000409254210	476981135	/nfs/dbraw/zinc/98/11/35/476981135.db2.gz	WBRGDWOVKLUOLT-MDWZMJQESA-N	-1	0	326.377	2.728	40	10		EFCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000008326892	1098423686	/nfs/dbraw/zinc/42/36/86/1098423686.db2.gz	RZROLVPZECBAGU-IGISWIECSA-N	-1	0	325.411	2.980	40	10		EFCBRM
Cn1cccc1C=C1SC(Nc2ccccc2C(=O)[O-])=NC1=O	ZINC000019891082	202024840	/nfs/dbraw/zinc/02/48/40/202024840.db2.gz	VVCRMMZAPBNIHX-LCYFTJDESA-N	-1	0	327.365	2.806	40	10		EFCBRM
Cn1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c1	ZINC000035648611	202308576	/nfs/dbraw/zinc/30/85/76/202308576.db2.gz	AGLOTSOJSPKJMS-XFXZXTDPSA-N	-1	0	338.454	2.871	40	10		EFCBRM
O=C1C([O-])=C(c2ccccc2)C(=O)[C@]1(Br)c1ccccc1	ZINC000001722470	201518860	/nfs/dbraw/zinc/51/88/60/201518860.db2.gz	IBGCUUFUSPBCOE-SUMWQHHRSA-N	-1	0	343.176	2.782	40	10		EFCBRM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000005373595	201648585	/nfs/dbraw/zinc/64/85/85/201648585.db2.gz	JTCNRHMRKKQZJY-HQQGHWSLSA-N	-1	0	337.422	2.760	40	10		EFCBRM
Cc1cc(Cl)c([O-])c(C(=O)C(=O)[C@H](O)c2ccc3c(c2)OCO3)c1	ZINC000104311964	204105173	/nfs/dbraw/zinc/10/51/73/204105173.db2.gz	AKFNKYUUKDVBCU-CQSZACIVSA-N	-1	0	348.738	2.568	40	10		EFCBRM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2O)SC1=S	ZINC000004976542	205743947	/nfs/dbraw/zinc/74/39/47/205743947.db2.gz	QCZXCYPLOQQSTI-YTRUQHMWSA-N	-1	0	337.422	2.703	40	10		EFCBRM
Cn1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21	ZINC000002428077	206387270	/nfs/dbraw/zinc/38/72/70/206387270.db2.gz	WQAYBOVUNZWXLR-MDWZMJQESA-N	-1	0	346.433	2.854	40	10		EFCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccncc1	ZINC000059135788	296312576	/nfs/dbraw/zinc/31/25/76/296312576.db2.gz	NCOQCTDZSKZCQN-PKNBQFBNSA-N	-1	0	327.340	2.892	40	10		EFCBRM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1	ZINC000000296629	284912183	/nfs/dbraw/zinc/91/21/83/284912183.db2.gz	NBMSMROIVHZWHS-WQLSENKSSA-N	-1	0	349.209	2.972	40	10		EFCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccs1	ZINC000004893443	296359462	/nfs/dbraw/zinc/35/94/62/296359462.db2.gz	MKKQUOFAFVQDCS-NTMALXAHSA-N	-1	0	332.381	2.719	40	10	in-vitro	EFCBRM
CC(C)(C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375024	278278446	/nfs/dbraw/zinc/27/84/46/278278446.db2.gz	YEUPQAUNSIJGMU-XFFZJAGNSA-N	-1	0	335.406	2.564	40	10		EFCBRM
CC(C)(C)C1(C)OC(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)C(=O)O1	ZINC000006763571	278299041	/nfs/dbraw/zinc/29/90/41/278299041.db2.gz	CAKGZLAQIDJNAV-UHFFFAOYSA-N	-1	0	335.312	2.546	40	10		EFCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000000359857	471350774	/nfs/dbraw/zinc/35/07/74/471350774.db2.gz	ASBKQMSDFMKPKF-NTUHNPAUSA-N	-1	0	342.738	2.530	40	10		EFCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)[N-]C1=S	ZINC000003189399	471435174	/nfs/dbraw/zinc/43/51/74/471435174.db2.gz	MMORKXLHBSGERQ-GXDHUFHOSA-N	-1	0	338.388	2.532	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2ccccc2)SC1=S	ZINC000004124053	471459617	/nfs/dbraw/zinc/45/96/17/471459617.db2.gz	BWQCNEXYAFIULG-UKTHLTGXSA-N	-1	0	344.417	2.763	40	10		EFCBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccn(C)c2)SC1=S	ZINC000005373971	471502432	/nfs/dbraw/zinc/50/24/32/471502432.db2.gz	XDYATQZBIMHXJA-BWPPYHDQSA-N	-1	0	338.454	2.726	40	10		EFCBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000005671164	471515969	/nfs/dbraw/zinc/51/59/69/471515969.db2.gz	OJFSYFMRKCXGDD-MLPAPPSSSA-N	-1	0	342.738	2.530	40	10		EFCBRM
COc1ccccc1/C=C/C=C1\SC(=S)N(CCC(=O)[O-])C1=O	ZINC000007166471	471594318	/nfs/dbraw/zinc/59/43/18/471594318.db2.gz	PAHGFTBEZXXNAY-GVVZRPPFSA-N	-1	0	349.433	2.927	40	10		EFCBRM
Cc1ncsc1/C=C1/CCn2c1nc1cc(C(=O)[O-])ccc1c2=O	ZINC000608097811	479936893	/nfs/dbraw/zinc/93/68/93/479936893.db2.gz	DCXHWGIDZRZWRU-YFHOEESVSA-N	-1	0	339.376	2.804	40	10		EFCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccccc2F)SC1=S	ZINC000008325785	471681701	/nfs/dbraw/zinc/68/17/01/471681701.db2.gz	DUHKKYYBJIYIQX-VUBLIPMDSA-N	-1	0	325.386	2.890	40	10		EFCBRM
C/C(=C\Cc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O)CO	ZINC000016942132	471951414	/nfs/dbraw/zinc/95/14/14/471951414.db2.gz	MOKPRIJKDCGLKJ-NTCAYCPXSA-N	-1	0	336.391	2.926	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br	ZINC000035107277	471994092	/nfs/dbraw/zinc/99/40/92/471994092.db2.gz	GTVSWCWCTVXPQK-RAXLEYEMSA-N	-1	0	343.180	2.911	40	10		EFCBRM
COc1ccc(Cl)cc1C(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000036329879	472002252	/nfs/dbraw/zinc/00/22/52/472002252.db2.gz	OIAHHWRINUEIOO-UHFFFAOYSA-N	-1	0	336.731	2.892	40	10		EFCBRM
CCN1c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2[C@@H](C)CC1(C)C	ZINC000113790006	473418516	/nfs/dbraw/zinc/41/85/16/473418516.db2.gz	ZHBVMTVTPIXUCR-NSHDSACASA-N	-1	0	341.411	2.548	40	10		EFCBRM
CCN1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)SC1=S	ZINC000199432368	474122628	/nfs/dbraw/zinc/12/26/28/474122628.db2.gz	JJMFLRSVZXPYHH-QPEQYQDCSA-N	-1	0	346.433	2.947	40	10		EFCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)c1C	ZINC000408935166	476975203	/nfs/dbraw/zinc/97/52/03/476975203.db2.gz	HBDFXPQKGKJBBW-GDNBJRDFSA-N	-1	0	336.347	2.675	40	10		EFCBRM
CCCCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000409007073	476975355	/nfs/dbraw/zinc/97/53/55/476975355.db2.gz	MTXZRDYQESLHKY-UHFFFAOYSA-N	-1	0	338.363	2.768	40	10		EFCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1C	ZINC000409098444	476978529	/nfs/dbraw/zinc/97/85/29/476978529.db2.gz	OWOPGFDNUAFMNX-LFIBNONCSA-N	-1	0	337.379	2.791	40	10		EFCBRM
Cc1cc(N2CCCC2)ccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000409322483	476981338	/nfs/dbraw/zinc/98/13/38/476981338.db2.gz	XRLKMZZITLVGDO-ALCCZGGFSA-N	-1	0	342.355	2.875	40	10		EFCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000409401748	476982514	/nfs/dbraw/zinc/98/25/14/476982514.db2.gz	ZONRCDYUDVWGKB-WQLSENKSSA-N	-1	0	343.726	2.710	40	10		EFCBRM
O=C([O-])CN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S	ZINC000097990690	219065809	/nfs/dbraw/zinc/06/58/09/219065809.db2.gz	BBTCNRRNWLAFAN-UITAMQMPSA-N	-1	0	345.348	2.574	40	10		EFCBRM
O=C([O-])c1ccc2ccc(/C=C/c3cc(O)c(O)c(O)c3)nc2c1O	ZINC000003828932	210078700	/nfs/dbraw/zinc/07/87/00/210078700.db2.gz	DEHWDDWRZXNDCL-DAFODLJHSA-N	-1	0	339.303	2.926	40	10		EFCBRM
COc1ccc(N=Nc2c(C)[n-]n(C(=O)c3ccncc3)c2=O)cc1	ZINC000104204143	219361051	/nfs/dbraw/zinc/36/10/51/219361051.db2.gz	USMQMOHXACCYKA-FZFLATATSA-N	-1	0	337.339	2.601	40	10		EFCBRM
O=C1N=C(NC2CCCC2)SC1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000208251237	241067245	/nfs/dbraw/zinc/06/72/45/241067245.db2.gz	DNBMEMVAPBSYKL-MDWZMJQESA-N	-1	0	333.369	2.803	40	10		EFCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000019891106	212080033	/nfs/dbraw/zinc/08/00/33/212080033.db2.gz	RZROLVPZECBAGU-SMULGIRPSA-N	-1	0	325.411	2.980	40	10		EFCBRM
Cc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1	ZINC000408917297	292409997	/nfs/dbraw/zinc/40/99/97/292409997.db2.gz	QPFOSCUPKNHYJR-GDNBJRDFSA-N	-1	0	340.379	2.965	40	10		EFCBRM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375018	280186880	/nfs/dbraw/zinc/18/68/80/280186880.db2.gz	WAZZWDXMJRHEQU-FFXRNRBCSA-N	-1	0	349.433	2.810	40	10		EFCBRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1O	ZINC000005816354	471523364	/nfs/dbraw/zinc/52/33/64/471523364.db2.gz	ZAMOUMGVPMKGIO-SDQBBNPISA-N	-1	0	347.373	2.839	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccco1	ZINC000006926619	471578093	/nfs/dbraw/zinc/57/80/93/471578093.db2.gz	WMBQPAVLDXHRBM-WQLSENKSSA-N	-1	0	327.252	2.695	40	10		EFCBRM
O=C([O-])CSC1=N[C@H](c2ccccc2O)C[C@H](C(F)(F)F)N1	ZINC000012844501	471800305	/nfs/dbraw/zinc/80/03/05/471800305.db2.gz	LXCZXNINECDTTR-WCBMZHEXSA-N	-1	0	334.319	2.531	40	10		EFCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)c1	ZINC000059426649	472626689	/nfs/dbraw/zinc/62/66/89/472626689.db2.gz	KLTGOUIATAKXCC-XNTDXEJSSA-N	-1	0	336.347	2.675	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)cc1	ZINC000059502720	472627532	/nfs/dbraw/zinc/62/75/32/472627532.db2.gz	BJAMZBKNKFXNPQ-FMIVXFBMSA-N	-1	0	342.738	2.712	40	10		EFCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)cc1	ZINC000408740847	476971962	/nfs/dbraw/zinc/97/19/62/476971962.db2.gz	NELWIBCOCOGLBG-LFIBNONCSA-N	-1	0	336.347	2.670	40	10		EFCBRM
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408788740	476973510	/nfs/dbraw/zinc/97/35/10/476973510.db2.gz	FUXDBOFUMYCWTJ-DHDCSXOGSA-N	-1	0	343.379	2.713	40	10		EFCBRM
O=C1[N-]C(=O)C(=Cc2ccccc2Cc2ccccc2Cl)C(=O)N1	ZINC000408869925	476973905	/nfs/dbraw/zinc/97/39/05/476973905.db2.gz	TVPUYCSHYKQXRU-UHFFFAOYSA-N	-1	0	340.766	2.680	40	10		EFCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1	ZINC000408984229	476974944	/nfs/dbraw/zinc/97/49/44/476974944.db2.gz	IIDGUKKHOMHDPN-WJDWOHSUSA-N	-1	0	336.347	2.621	40	10		EFCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408960201	476974957	/nfs/dbraw/zinc/97/49/57/476974957.db2.gz	DMBFTMUQAZPICR-LFIBNONCSA-N	-1	0	337.379	2.791	40	10		EFCBRM
CCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409039327	476976267	/nfs/dbraw/zinc/97/62/67/476976267.db2.gz	COSJMKAQPYBSLU-UHFFFAOYSA-N	-1	0	343.166	2.532	40	10		EFCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccoc2)C1=O	ZINC000409228564	476981152	/nfs/dbraw/zinc/98/11/52/476981152.db2.gz	ZGPDGFQKHAYKAN-YRNVUSSQSA-N	-1	0	330.727	2.908	40	10		EFCBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(N3CCCC3)cc2)[nH]1	ZINC000409304264	476981789	/nfs/dbraw/zinc/98/17/89/476981789.db2.gz	QRBKGXJADBYILF-YVMONPNESA-N	-1	0	328.328	2.567	40	10		EFCBRM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc4ccccc43)o2)C(=O)N1	ZINC000003066879	1095209638	/nfs/dbraw/zinc/20/96/38/1095209638.db2.gz	HGJLCPXZLIXVHG-UHFFFAOYSA-N	-1	0	332.315	2.849	40	10		EFCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000005284642	1097436571	/nfs/dbraw/zinc/43/65/71/1097436571.db2.gz	VMDVEVOKSMZOLJ-PAKSIRSJSA-N	-1	0	325.411	2.980	40	10		EFCBRM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000033389220	282280113	/nfs/dbraw/zinc/28/01/13/282280113.db2.gz	ISPSSQXYSNXBET-FOWTUZBSSA-N	-1	0	341.411	2.547	40	10		EFCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)[O-])cc1	ZINC000100233048	219095397	/nfs/dbraw/zinc/09/53/97/219095397.db2.gz	SFOTVGLXFLCVRD-GZTJUZNOSA-N	-1	0	336.347	2.956	40	10		EFCBRM
O=C([O-])CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	ZINC000000969830	209697156	/nfs/dbraw/zinc/69/71/56/209697156.db2.gz	GCRBQKXOMBELDV-KPKJPENVSA-N	-1	0	332.406	2.844	40	10		EFCBRM
CCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000035073637	213006729	/nfs/dbraw/zinc/00/67/29/213006729.db2.gz	FHQPWGMNBBZSSU-UXBLZVDNSA-N	-1	0	340.382	2.530	40	10		EFCBRM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3NC(=S)NC3=O)o2)c1	ZINC000012428458	211378558	/nfs/dbraw/zinc/37/85/58/211378558.db2.gz	WXCGAGUTTYDFDJ-IZZDOVSWSA-N	-1	0	348.767	2.643	40	10		EFCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S	ZINC000008325780	210934894	/nfs/dbraw/zinc/93/48/94/210934894.db2.gz	JTCNRHMRKKQZJY-SERMCNLOSA-N	-1	0	337.422	2.760	40	10		EFCBRM
O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C/c1cccs1	ZINC000004832978	210292008	/nfs/dbraw/zinc/29/20/08/210292008.db2.gz	BYTBTVUPGMKVHA-XYOKQWHBSA-N	-1	0	349.209	2.972	40	10		EFCBRM
CCOc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000000223867	471337838	/nfs/dbraw/zinc/33/78/38/471337838.db2.gz	KTEMBUIRDOQSMA-UHFFFAOYSA-N	-1	0	335.410	2.891	40	10		EFCBRM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000005569251	471510868	/nfs/dbraw/zinc/51/08/68/471510868.db2.gz	IMHXVAAKMKUKFU-ZROIWOOFSA-N	-1	0	343.726	2.710	40	10		EFCBRM
CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C1=O	ZINC000015013812	471885442	/nfs/dbraw/zinc/88/54/42/471885442.db2.gz	PBCVTPKZQUJXPA-KPKJPENVSA-N	-1	0	346.726	2.821	40	10		EFCBRM
CN(C)/N=N\c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000017139039	471958104	/nfs/dbraw/zinc/95/81/04/471958104.db2.gz	RRZYNIPFPRIUHP-MODMUFLJSA-N	-1	0	340.383	2.673	40	10		EFCBRM
CC(C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000059254481	472623224	/nfs/dbraw/zinc/62/32/24/472623224.db2.gz	MUGJOIQHYVYGAZ-KPKJPENVSA-N	-1	0	337.422	2.760	40	10		EFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=CNCc3ccccc3)C2=O)c1	ZINC000408535218	476967274	/nfs/dbraw/zinc/96/72/74/476967274.db2.gz	YAGJXYXBHUAUNX-FOWTUZBSSA-N	-1	0	349.390	2.560	40	10		EFCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1O	ZINC000408886363	476973834	/nfs/dbraw/zinc/97/38/34/476973834.db2.gz	KHKJDLNEBXLYNZ-MDWZMJQESA-N	-1	0	342.738	2.712	40	10		EFCBRM
O=C([N-]N1C(=O)/C(=C\c2ccco2)SC1=S)c1cccs1	ZINC000409342680	476980886	/nfs/dbraw/zinc/98/08/86/476980886.db2.gz	CDPVGLCIINYAIA-JXMROGBWSA-N	-1	0	336.419	2.887	40	10		EFCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2C)SC1=S	ZINC000006635880	1098124789	/nfs/dbraw/zinc/12/47/89/1098124789.db2.gz	ITIMMRBHCBVKJH-ZGSOTFDTSA-N	-1	0	338.454	2.870	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNN1CCCCCC1	ZINC000034236838	1099169515	/nfs/dbraw/zinc/16/95/15/1099169515.db2.gz	MOZTYRDVTSSDQD-QXMHVHEDSA-N	-1	0	346.362	2.513	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1cccc(F)c1	ZINC000100986863	219112923	/nfs/dbraw/zinc/11/29/23/219112923.db2.gz	XNRZUDCZQLRVNM-ZROIWOOFSA-N	-1	0	343.289	2.544	40	10		EFCBRM
Cc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000226862570	242116715	/nfs/dbraw/zinc/11/67/15/242116715.db2.gz	ZOJCHCKFHPFHEC-UHFFFAOYSA-N	-1	0	326.305	2.549	40	10		EFCBRM
Cn1cccc1C=C1SC(Nc2cccc(C(=O)[O-])c2)=NC1=O	ZINC000020227119	212113515	/nfs/dbraw/zinc/11/35/15/212113515.db2.gz	DZEXGDVKWNJYJF-UKTHLTGXSA-N	-1	0	327.365	2.806	40	10		EFCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccncc3)C(=O)[N-]C2=S)cc1C	ZINC000408818093	278816508	/nfs/dbraw/zinc/81/65/08/278816508.db2.gz	XWHBAMUUHCIBNY-XNTDXEJSSA-N	-1	0	337.404	2.530	40	10		EFCBRM
C/C(=C/Cc1c([O-])n(-c2ccccc2)n(-c2ccccc2)c1=O)CO	ZINC000001590301	471393380	/nfs/dbraw/zinc/39/33/80/471393380.db2.gz	MOKPRIJKDCGLKJ-QINSGFPZSA-N	-1	0	336.391	2.926	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2	ZINC000002067560	471401863	/nfs/dbraw/zinc/40/18/63/471401863.db2.gz	JXRREARYIBAULF-MDWZMJQESA-N	-1	0	336.303	2.922	40	10		EFCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005373812	471502170	/nfs/dbraw/zinc/50/21/70/471502170.db2.gz	RZROLVPZECBAGU-ZLNXOTNDSA-N	-1	0	325.411	2.980	40	10		EFCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375006	471502482	/nfs/dbraw/zinc/50/24/82/471502482.db2.gz	QJNTWMPFCCALDZ-ZWIPKHHJSA-N	-1	0	335.406	2.564	40	10		EFCBRM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000005373587	471502486	/nfs/dbraw/zinc/50/24/86/471502486.db2.gz	JTCNRHMRKKQZJY-LCFDYFRESA-N	-1	0	337.422	2.760	40	10		EFCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000005373818	471502573	/nfs/dbraw/zinc/50/25/73/471502573.db2.gz	RZROLVPZECBAGU-HYVKJMSASA-N	-1	0	325.411	2.980	40	10		EFCBRM
Cc1ccc(O)c(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c1	ZINC000005698000	471517648	/nfs/dbraw/zinc/51/76/48/471517648.db2.gz	PVUBGIANLZUVFH-ZSOIEALJSA-N	-1	0	328.755	2.815	40	10		EFCBRM
Cc1oc2c(O)c([O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2	ZINC000005730177	471518421	/nfs/dbraw/zinc/51/84/21/471518421.db2.gz	CBBFAFSBIBOBKP-UHFFFAOYSA-N	-1	0	326.304	2.951	40	10		EFCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O	ZINC000005771211	471520669	/nfs/dbraw/zinc/52/06/69/471520669.db2.gz	TYCBYDQIAWIINP-UKTHLTGXSA-N	-1	0	342.738	2.712	40	10		EFCBRM
CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(C2CCCCC2)C1=O	ZINC000015013898	471885328	/nfs/dbraw/zinc/88/53/28/471885328.db2.gz	IIKIKCKWHQOBAL-QINSGFPZSA-N	-1	0	342.395	2.880	40	10		EFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2)C1=O	ZINC000408528731	476966492	/nfs/dbraw/zinc/96/64/92/476966492.db2.gz	ICSVVVMMUAMECK-NTCAYCPXSA-N	-1	0	335.363	2.828	40	10		EFCBRM
Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	ZINC000408526623	476967318	/nfs/dbraw/zinc/96/73/18/476967318.db2.gz	BTKSARVEHLKMFL-DTQAZKPQSA-N	-1	0	349.390	2.612	40	10		EFCBRM
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)C1=CNCCCC(=O)[O-]	ZINC000408539834	476967365	/nfs/dbraw/zinc/96/73/65/476967365.db2.gz	ZJDJNZSRFDSXLL-LCYFTJDESA-N	-1	0	335.791	2.709	40	10		EFCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1C	ZINC000408782020	476973630	/nfs/dbraw/zinc/97/36/30/476973630.db2.gz	FJBRJBMBOBNPQF-MHWRWJLKSA-N	-1	0	337.379	2.617	40	10		EFCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O)C1=O	ZINC000408881208	476973976	/nfs/dbraw/zinc/97/39/76/476973976.db2.gz	KCUYAJAMXVJFEB-KAMYIIQDSA-N	-1	0	336.347	2.621	40	10		EFCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)c(C)c1	ZINC000408887936	476974001	/nfs/dbraw/zinc/97/40/01/476974001.db2.gz	VBLUDULJMMKBPY-GXDHUFHOSA-N	-1	0	336.347	2.675	40	10		EFCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)c1	ZINC000408885705	476974210	/nfs/dbraw/zinc/97/42/10/476974210.db2.gz	FFZYVQZPNUBARG-GXDHUFHOSA-N	-1	0	336.347	2.675	40	10		EFCBRM
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1	ZINC000408937852	476975476	/nfs/dbraw/zinc/97/54/76/476975476.db2.gz	PKVUCHAPKGDVKM-LFIBNONCSA-N	-1	0	334.331	2.827	40	10		EFCBRM
O=C([N-]N1C(=O)/C(=C\c2cccnc2)SC1=S)c1cccs1	ZINC000409332212	476981047	/nfs/dbraw/zinc/98/10/47/476981047.db2.gz	PVUMMXDYVWUWPV-YRNVUSSQSA-N	-1	0	347.446	2.689	40	10		EFCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000000191768	536598247	/nfs/dbraw/zinc/59/82/47/536598247.db2.gz	UVCZKEWOLMFWOF-LFIBNONCSA-N	-1	0	336.347	2.670	40	10		EFCBRM