smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C	ZINC000005587883	493936437	/nfs/dbraw/zinc/93/64/37/493936437.db2.gz	POKLEAOMKLPXQX-LDADJPATSA-N	-1	0	373.412	3.462	40	10		FGCBRM
CCOc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000006350832	493960291	/nfs/dbraw/zinc/96/02/91/493960291.db2.gz	XNEGZVHIOZRQJA-XNTDXEJSSA-N	-1	0	372.808	3.209	40	10		FGCBRM
CCCCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000032109811	493976112	/nfs/dbraw/zinc/97/61/12/493976112.db2.gz	FWEYSBWFZXBCIR-LGMDPLHJSA-N	-1	0	366.417	3.336	40	10		FGCBRM
COc1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc1	ZINC000020226903	494470092	/nfs/dbraw/zinc/47/00/92/494470092.db2.gz	ZNCUGCWBCQHPRR-GDNBJRDFSA-N	-1	0	354.387	3.476	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O	ZINC000408722096	499594600	/nfs/dbraw/zinc/59/46/00/499594600.db2.gz	DJXQHZXCMXXKJC-NTEUORMPSA-N	-1	0	372.833	3.180	40	10		FGCBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	ZINC000408886965	570695289	/nfs/dbraw/zinc/69/52/89/570695289.db2.gz	KMYOCMTYXXBLCN-ATVHPVEESA-N	-1	0	374.421	3.377	40	10		FGCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1C	ZINC000408893059	570696015	/nfs/dbraw/zinc/69/60/15/570696015.db2.gz	FDJOMGGPRRWZLX-NTEUORMPSA-N	-1	0	370.792	3.329	40	10		FGCBRM
CC(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S	ZINC000409038524	570715175	/nfs/dbraw/zinc/71/51/75/570715175.db2.gz	VWUXIJQOYTWEQS-QPEQYQDCSA-N	-1	0	351.449	3.007	40	10		FGCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100548271	206224109	/nfs/dbraw/zinc/22/41/09/206224109.db2.gz	OCGSJYWQLGXTJR-UVTDQMKNSA-N	-1	0	367.321	3.222	40	10		FGCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(C)C)C1=O	ZINC000006479462	263345591	/nfs/dbraw/zinc/34/55/91/263345591.db2.gz	DJYUXBVAARUVAD-FOWTUZBSSA-N	-1	0	364.401	3.449	40	10		FGCBRM
COc1ccc(N2N=C(C)C(=CNc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000016160820	494380854	/nfs/dbraw/zinc/38/08/54/494380854.db2.gz	YGBLGHPLTGTECW-BOPFTXTBSA-N	-1	0	351.362	3.112	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408872265	570694304	/nfs/dbraw/zinc/69/43/04/570694304.db2.gz	CDJVHFKLUIPDHX-SFQUDFHCSA-N	-1	0	350.374	3.060	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)cc1Cl	ZINC000408987481	570708258	/nfs/dbraw/zinc/70/82/58/570708258.db2.gz	OWBOOPNZUSCNGF-ZSOIEALJSA-N	-1	0	358.756	3.454	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O	ZINC000409125682	570729865	/nfs/dbraw/zinc/72/98/65/570729865.db2.gz	DSWPHKRHILURQJ-RVDMUPIBSA-N	-1	0	366.442	3.143	40	10		FGCBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375044	204205396	/nfs/dbraw/zinc/20/53/96/204205396.db2.gz	NJVQXPNCQGFUDC-AQVMYJKNSA-N	-1	0	363.460	3.200	40	10		FGCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375014	204206192	/nfs/dbraw/zinc/20/61/92/204206192.db2.gz	LIIIRNSDVMUKBV-CKXDQPNJSA-N	-1	0	363.460	3.344	40	10		FGCBRM
CCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000001140168	493785781	/nfs/dbraw/zinc/78/57/81/493785781.db2.gz	CTSDIUSBFIYCKR-DHDCSXOGSA-N	-1	0	372.808	3.209	40	10		FGCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)o1	ZINC000035362295	494075090	/nfs/dbraw/zinc/07/50/90/494075090.db2.gz	OBBKZPVAGZOJON-VKAVYKQESA-N	-1	0	351.406	3.121	40	10		FGCBRM
CC1=Nc2ccccc2[C@H]1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O	ZINC000100925021	495067015	/nfs/dbraw/zinc/06/70/15/495067015.db2.gz	DGNJZOUDHYRKGL-KFXIKWRMSA-N	-1	0	351.406	3.214	40	10		FGCBRM
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000101528397	495071637	/nfs/dbraw/zinc/07/16/37/495071637.db2.gz	BOKMHIQOMLFIPA-NTEUORMPSA-N	-1	0	368.305	3.015	40	10		FGCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc2ccccc21	ZINC000408547093	499591875	/nfs/dbraw/zinc/59/18/75/499591875.db2.gz	UOVAHZGRCSWOAT-WJDWOHSUSA-N	-1	0	361.357	3.007	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000408771794	499594898	/nfs/dbraw/zinc/59/48/98/499594898.db2.gz	ICNRLEVOEILJHV-LDADJPATSA-N	-1	0	364.401	3.369	40	10		FGCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C	ZINC000409220732	570742375	/nfs/dbraw/zinc/74/23/75/570742375.db2.gz	FAHFYGQHNBCFSI-MHWRWJLKSA-N	-1	0	367.474	3.090	40	10		FGCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005373640	204205666	/nfs/dbraw/zinc/20/56/66/204205666.db2.gz	DDUGJAULLCKRIZ-RNQWEJQRSA-N	-1	0	365.476	3.396	40	10		FGCBRM
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000036250247	204368836	/nfs/dbraw/zinc/36/88/36/204368836.db2.gz	UKZLWPJLXLAXOX-OVCLIPMQSA-N	-1	0	367.361	3.424	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1	ZINC000409228101	263543568	/nfs/dbraw/zinc/54/35/68/263543568.db2.gz	UCUXLJUAUXCNJZ-LFIBNONCSA-N	-1	0	366.442	3.143	40	10		FGCBRM
COc1cc(-n2[n-]c(C)c(C=Nc3c(C)n[nH]c3C)c2=O)ccc1Cl	ZINC000059858471	493909460	/nfs/dbraw/zinc/90/94/60/493909460.db2.gz	DJXNVWOCAWGHBT-JYRVWZFOSA-N	-1	0	359.817	3.407	40	10		FGCBRM
CC[C@H](C)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000109425803	494871935	/nfs/dbraw/zinc/87/19/35/494871935.db2.gz	OOVJGJKGUBXBCM-MFVBVHDHSA-N	-1	0	367.405	3.368	40	10		FGCBRM
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104230887	495272259	/nfs/dbraw/zinc/27/22/59/495272259.db2.gz	OXFDNFJVBHIBOG-IJYGLTAASA-N	-1	0	351.322	3.106	40	10		FGCBRM
Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1	ZINC000408529777	499591442	/nfs/dbraw/zinc/59/14/42/499591442.db2.gz	JYODGNWTXSAYEE-GZTJUZNOSA-N	-1	0	363.417	3.499	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O	ZINC000408796217	499594909	/nfs/dbraw/zinc/59/49/09/499594909.db2.gz	DUSLVIDOEUVJCU-FOWTUZBSSA-N	-1	0	364.401	3.369	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1	ZINC000408865310	570693672	/nfs/dbraw/zinc/69/36/72/570693672.db2.gz	AGPOKZRFQIFGGW-SDNWHVSQSA-N	-1	0	370.792	3.405	40	10		FGCBRM
COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000408984222	570708140	/nfs/dbraw/zinc/70/81/40/570708140.db2.gz	IHPNPLVNISGHQW-DHDCSXOGSA-N	-1	0	370.792	3.323	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000409250712	263547160	/nfs/dbraw/zinc/54/71/60/263547160.db2.gz	XYNWGEMDQLDKNI-NTCAYCPXSA-N	-1	0	366.442	3.225	40	10		FGCBRM
CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000409345928	263550484	/nfs/dbraw/zinc/55/04/84/263550484.db2.gz	MDZAEJXRLZLMRY-XNFYSYIQSA-N	-1	0	351.449	3.150	40	10		FGCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(C)ccc2C)C1=O	ZINC000408535553	499591950	/nfs/dbraw/zinc/59/19/50/499591950.db2.gz	TXOUHTKIHSXUNG-FOWTUZBSSA-N	-1	0	363.417	3.445	40	10		FGCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1C	ZINC000408960145	499595565	/nfs/dbraw/zinc/59/55/65/499595565.db2.gz	CKPVUYUYCOPWJL-GZTJUZNOSA-N	-1	0	351.406	3.100	40	10		FGCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000409239393	570743500	/nfs/dbraw/zinc/74/35/00/570743500.db2.gz	NDIGDXVSOBTZID-JLHYYAGUSA-N	-1	0	357.797	3.136	40	10		FGCBRM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S	ZINC000006221058	204240510	/nfs/dbraw/zinc/24/05/10/204240510.db2.gz	HCQKRFOWSSSAFW-JLHYYAGUSA-N	-1	0	351.449	3.238	40	10		FGCBRM
Cc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)[N-]C2=S)cc1Cl	ZINC000101653089	132234162	/nfs/dbraw/zinc/23/41/62/132234162.db2.gz	GJXOIIZPNVGLRH-GXDHUFHOSA-N	-1	0	371.849	3.392	40	10		FGCBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408534067	499591483	/nfs/dbraw/zinc/59/14/83/499591483.db2.gz	URLJULNEURFFKL-FOWTUZBSSA-N	-1	0	363.417	3.445	40	10		FGCBRM
CCCCc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000408547046	499591966	/nfs/dbraw/zinc/59/19/66/499591966.db2.gz	HQDITJRHRFLJBO-ATVHPVEESA-N	-1	0	367.405	3.197	40	10		FGCBRM
CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000003071872	204076427	/nfs/dbraw/zinc/07/64/27/204076427.db2.gz	ZAHJHACRNMXCJV-VWLVURMCSA-N	-1	0	351.449	3.150	40	10		FGCBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375046	204206211	/nfs/dbraw/zinc/20/62/11/204206211.db2.gz	NJVQXPNCQGFUDC-CXFMPIOESA-N	-1	0	363.460	3.200	40	10		FGCBRM
O=Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1	ZINC000005375003	204206345	/nfs/dbraw/zinc/20/63/45/204206345.db2.gz	DUQQBUSCANVVGK-UVTDQMKNSA-N	-1	0	363.460	3.345	40	10		FGCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Cl)c2)C1=O	ZINC000006479393	263345324	/nfs/dbraw/zinc/34/53/24/263345324.db2.gz	MDZJRJZGQIHSMV-XYOKQWHBSA-N	-1	0	356.765	3.020	40	10		FGCBRM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)[N-]C2=S)c1	ZINC000408741196	263495130	/nfs/dbraw/zinc/49/51/30/263495130.db2.gz	OKCHJQAYMXOLDT-GZTJUZNOSA-N	-1	0	366.442	3.225	40	10		FGCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	ZINC000002210690	493803393	/nfs/dbraw/zinc/80/33/93/493803393.db2.gz	ZBBFKCJCVGSYEG-LFIBNONCSA-N	-1	0	362.341	3.202	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000408813578	499595102	/nfs/dbraw/zinc/59/51/02/499595102.db2.gz	OJUJSICFZJHIOT-FOWTUZBSSA-N	-1	0	364.401	3.369	40	10		FGCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(O)c2)C1=O	ZINC000408942553	570702114	/nfs/dbraw/zinc/70/21/14/570702114.db2.gz	ZHPIPMCVMHRWER-ZSOIEALJSA-N	-1	0	356.765	3.020	40	10		FGCBRM
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000005334154	204203485	/nfs/dbraw/zinc/20/34/85/204203485.db2.gz	KWJLUDJDVNVVFR-YVLHZVERSA-N	-1	0	365.389	3.426	40	10		FGCBRM
COc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1	ZINC000005284592	204200971	/nfs/dbraw/zinc/20/09/71/204200971.db2.gz	OOUBYGCUIICOLA-GFAPJHNFSA-N	-1	0	365.476	3.396	40	10		FGCBRM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000013615682	206304498	/nfs/dbraw/zinc/30/44/98/206304498.db2.gz	YKYFJYMYKGSYIJ-ZROIWOOFSA-N	-1	0	363.200	3.463	40	10		FGCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C	ZINC000016607374	494396423	/nfs/dbraw/zinc/39/64/23/494396423.db2.gz	QPAPQRFSPBUJAU-ZJYZBMPFSA-N	-1	0	358.401	3.374	40	10		FGCBRM
O=C([O-])c1ccc(NC2=NC(=O)C(=CC=Cc3ccco3)S2)cc1O	ZINC000020227139	494470205	/nfs/dbraw/zinc/47/02/05/494470205.db2.gz	BHJZTMRIMRNERS-NQDFZQDQSA-N	-1	0	356.359	3.322	40	10		FGCBRM
O=C([O-])c1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccccc1	ZINC000408532375	499591578	/nfs/dbraw/zinc/59/15/78/499591578.db2.gz	UQFNEJSUYLHFAJ-DHDCSXOGSA-N	-1	0	371.439	3.453	40	10		FGCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000408776287	499594831	/nfs/dbraw/zinc/59/48/31/499594831.db2.gz	YHLWFKJJLUNQPL-MDWZMJQESA-N	-1	0	372.833	3.185	40	10		FGCBRM
CC(C)Oc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408866732	570693768	/nfs/dbraw/zinc/69/37/68/570693768.db2.gz	IFVSYMMUWGUBST-VBKFSLOCSA-N	-1	0	366.442	3.305	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c1	ZINC000408876275	570694592	/nfs/dbraw/zinc/69/45/92/570694592.db2.gz	KMMAHUZYPDLCON-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc21	ZINC000408890795	570695344	/nfs/dbraw/zinc/69/53/44/570695344.db2.gz	ZJSPQUIYKYDQCB-SFQUDFHCSA-N	-1	0	358.353	3.212	40	10		FGCBRM
Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O	ZINC000409141995	570732120	/nfs/dbraw/zinc/73/21/20/570732120.db2.gz	KREJYAOZIGSLHR-XNTDXEJSSA-N	-1	0	360.435	3.106	40	10		FGCBRM
Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000004817419	207050537	/nfs/dbraw/zinc/05/05/37/207050537.db2.gz	QTTDZDKFEMOZEY-OPQQBVKSSA-N	-1	0	355.175	3.138	40	10		FGCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1	ZINC000059135703	493902949	/nfs/dbraw/zinc/90/29/49/493902949.db2.gz	IKUHVQCOENWFSE-FMIVXFBMSA-N	-1	0	371.349	3.406	40	10		FGCBRM
CCCCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000036613180	494092400	/nfs/dbraw/zinc/09/24/00/494092400.db2.gz	COAPDRVFGYDAJN-XYOKQWHBSA-N	-1	0	368.436	3.310	40	10		FGCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(C)c2C)C1=O	ZINC000408531456	499591487	/nfs/dbraw/zinc/59/14/87/499591487.db2.gz	KOBVXCKADDWOSC-FOWTUZBSSA-N	-1	0	363.417	3.445	40	10		FGCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2Cl)C1=O	ZINC000408528364	499591644	/nfs/dbraw/zinc/59/16/44/499591644.db2.gz	FVHMSUHMOFJZGR-ZRDIBKRKSA-N	-1	0	355.781	3.227	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1	ZINC000408854279	570692959	/nfs/dbraw/zinc/69/29/59/570692959.db2.gz	BKQSTWHNCPHMBC-XMHGGMMESA-N	-1	0	371.396	3.452	40	10		FGCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1	ZINC000408893292	570696119	/nfs/dbraw/zinc/69/61/19/570696119.db2.gz	DPAGLWJWOJOLHU-NTEUORMPSA-N	-1	0	356.765	3.020	40	10		FGCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000408892809	570696208	/nfs/dbraw/zinc/69/62/08/570696208.db2.gz	DACOPDKLYDATQQ-UKTHLTGXSA-N	-1	0	356.765	3.020	40	10		FGCBRM
COc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1N	ZINC000217684266	209659684	/nfs/dbraw/zinc/65/96/84/209659684.db2.gz	MRQZBWGIENVRHK-UHFFFAOYSA-N	-1	0	361.448	3.202	40	10		FGCBRM
C[C@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000004745782	207045080	/nfs/dbraw/zinc/04/50/80/207045080.db2.gz	RRAQXCYZVBFMBU-MHZFXIRXSA-N	-1	0	353.852	3.484	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	ZINC000004867078	132255629	/nfs/dbraw/zinc/25/56/29/132255629.db2.gz	NIDVNKUYNQFOFK-ZROIWOOFSA-N	-1	0	356.765	3.020	40	10		FGCBRM
COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000006395075	493962442	/nfs/dbraw/zinc/96/24/42/493962442.db2.gz	VGVHQQMRDUGHIM-WJDWOHSUSA-N	-1	0	355.390	3.000	40	10		FGCBRM
O=C([O-])c1cc(NC2=NC(=O)C(=CC=Cc3ccco3)S2)ccc1O	ZINC000054164427	494201475	/nfs/dbraw/zinc/20/14/75/494201475.db2.gz	MLSHVOIVQVEQEO-NQDFZQDQSA-N	-1	0	356.359	3.322	40	10		FGCBRM
COc1cccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	ZINC000016227935	494381929	/nfs/dbraw/zinc/38/19/29/494381929.db2.gz	AONTVRJLQSGMPC-DHDCSXOGSA-N	-1	0	367.317	3.110	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1C	ZINC000408774110	499594854	/nfs/dbraw/zinc/59/48/54/499594854.db2.gz	AUACMIKHQAIWPT-LDADJPATSA-N	-1	0	363.417	3.036	40	10		FGCBRM
CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000408865985	570693616	/nfs/dbraw/zinc/69/36/16/570693616.db2.gz	CYRNJHMIKJCSQM-PTNGSMBKSA-N	-1	0	368.364	3.279	40	10		FGCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)n1	ZINC000017949551	220219891	/nfs/dbraw/zinc/21/98/91/220219891.db2.gz	SKYMKWHKGCGRJP-QZQOTICOSA-N	-1	0	370.394	3.102	40	10		FGCBRM
Nc1ccc(Nc2ccccc2C(=O)[O-])c2c1C(=O)c1ccccc1C2=O	ZINC000005002966	207071442	/nfs/dbraw/zinc/07/14/42/207071442.db2.gz	AMWKTROIQUGOTA-UHFFFAOYSA-N	-1	0	358.353	3.486	40	10		FGCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375047	207097045	/nfs/dbraw/zinc/09/70/45/207097045.db2.gz	NJVQXPNCQGFUDC-ZVZFUOFVSA-N	-1	0	363.460	3.200	40	10		FGCBRM
CCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)C(=O)[N-]C2=S)cc1	ZINC000409378733	263553840	/nfs/dbraw/zinc/55/38/40/263553840.db2.gz	QYGNOPBJIHCEFB-SFQUDFHCSA-N	-1	0	350.443	3.389	40	10		FGCBRM
CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1	ZINC000012372477	494227546	/nfs/dbraw/zinc/22/75/46/494227546.db2.gz	FNBFRLHMLNLQLA-JYRVWZFOSA-N	-1	0	368.784	3.228	40	10		FGCBRM
O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000016951612	494403662	/nfs/dbraw/zinc/40/36/62/494403662.db2.gz	KIJSBNNAQVSOOK-FMQUCBEESA-N	-1	0	355.379	3.398	40	10		FGCBRM
COc1cccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1O	ZINC000032116534	493976045	/nfs/dbraw/zinc/97/60/45/493976045.db2.gz	PDEWAKXZNLQMSO-LCYFTJDESA-N	-1	0	372.377	3.212	40	10		FGCBRM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCOC3)c2=O)cc1	ZINC000032501397	493993936	/nfs/dbraw/zinc/99/39/36/493993936.db2.gz	UJHDQUVTSSTEHX-UHFFFAOYSA-N	-1	0	367.401	3.354	40	10		FGCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1C	ZINC000408966927	570704605	/nfs/dbraw/zinc/70/46/05/570704605.db2.gz	RHYKKUAFUHWLJX-WOJGMQOQSA-N	-1	0	365.433	3.408	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)ccc2C)C1=O	ZINC000409233994	570744566	/nfs/dbraw/zinc/74/45/66/570744566.db2.gz	VIMKXNPFXNJSNL-RVDMUPIBSA-N	-1	0	366.442	3.143	40	10		FGCBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000005373603	207097179	/nfs/dbraw/zinc/09/71/79/207097179.db2.gz	SCAGRUNJHCHNBC-WGQGCQLISA-N	-1	0	365.476	3.396	40	10		FGCBRM
C[C@@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)ccc2O1	ZINC000005881057	207120772	/nfs/dbraw/zinc/12/07/72/207120772.db2.gz	QYMOUTRWFZLVKJ-WIWNTQSISA-N	-1	0	354.793	3.125	40	10		FGCBRM
CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000409409938	263556753	/nfs/dbraw/zinc/55/67/53/263556753.db2.gz	XXBQAZHBGDIXNB-ZROIWOOFSA-N	-1	0	372.808	3.209	40	10		FGCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(N2CCCC2)cc1	ZINC000033634252	494062170	/nfs/dbraw/zinc/06/21/70/494062170.db2.gz	IZMLQGQBOKHTFV-SFQUDFHCSA-N	-1	0	365.389	3.382	40	10		FGCBRM
COc1cc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)ccc1O	ZINC000020227034	494469649	/nfs/dbraw/zinc/46/96/49/494469649.db2.gz	OVFQSEBBFNMNEZ-DHDCSXOGSA-N	-1	0	370.386	3.181	40	10		FGCBRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1	ZINC000192628720	497167964	/nfs/dbraw/zinc/16/79/64/497167964.db2.gz	AVQFVBKJUUILCZ-UHFFFAOYSA-N	-1	0	356.403	3.323	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c(C)c1	ZINC000408529198	499591570	/nfs/dbraw/zinc/59/15/70/499591570.db2.gz	IPYWLDALFKJPQI-XNTDXEJSSA-N	-1	0	353.353	3.021	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408802117	499595091	/nfs/dbraw/zinc/59/50/91/499595091.db2.gz	DEGPCGSJNJSIOX-FOWTUZBSSA-N	-1	0	350.374	3.060	40	10		FGCBRM
Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c(C)c1	ZINC000409148982	570732400	/nfs/dbraw/zinc/73/24/00/570732400.db2.gz	VJWXCCLIZSXZDE-ZXPNPXPCSA-N	-1	0	352.415	3.284	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1C	ZINC000409240834	570743617	/nfs/dbraw/zinc/74/36/17/570743617.db2.gz	IJVVGRIQWQUXHN-RVDMUPIBSA-N	-1	0	366.442	3.143	40	10		FGCBRM
O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	ZINC000004623612	207031922	/nfs/dbraw/zinc/03/19/22/207031922.db2.gz	JXLVSBCVKUJJGM-AVYPCKFXSA-N	-1	0	363.417	3.113	40	10		FGCBRM
COc1ccccc1C=C1SC(Nc2ccccc2C(=O)[O-])=NC1=O	ZINC000020226897	494469663	/nfs/dbraw/zinc/46/96/63/494469663.db2.gz	XIPZCWGPDPQVPT-GDNBJRDFSA-N	-1	0	354.387	3.476	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)ccc3C)C2=O)c(C)c1	ZINC000408535380	499591979	/nfs/dbraw/zinc/59/19/79/499591979.db2.gz	SMQPIQNVTWSPDM-LFIBNONCSA-N	-1	0	363.417	3.499	40	10		FGCBRM
CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000108013523	494634989	/nfs/dbraw/zinc/63/49/89/494634989.db2.gz	QAYLPUQDBKDJLP-LFIBNONCSA-N	-1	0	352.390	3.239	40	10		FGCBRM
COc1cc(-n2[n-]c(C)c(C=Nc3c(C)nn(C)c3C)c2=O)ccc1Cl	ZINC000408755209	499594797	/nfs/dbraw/zinc/59/47/97/499594797.db2.gz	BXUARDDAUDOWJD-NTEUORMPSA-N	-1	0	373.844	3.417	40	10		FGCBRM
COCCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O	ZINC000409126004	570729736	/nfs/dbraw/zinc/72/97/36/570729736.db2.gz	DJDNXEKBJCPBFS-GDNBJRDFSA-N	-1	0	373.386	3.328	40	10		FGCBRM
O=C([O-])CCCN1C(=O)C(=Cc2cc3ccccc3[nH]c2=O)SC1=S	ZINC000005387713	206690009	/nfs/dbraw/zinc/69/00/09/206690009.db2.gz	RWWNHWYJPHDDQU-LCYFTJDESA-N	-1	0	374.443	3.006	40	10		FGCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1O	ZINC000005373402	207097212	/nfs/dbraw/zinc/09/72/12/207097212.db2.gz	PIELGBPLRFXIGM-AUWJEWJLSA-N	-1	0	373.411	3.202	40	10		FGCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375045	207097647	/nfs/dbraw/zinc/09/76/47/207097647.db2.gz	NJVQXPNCQGFUDC-CNPFRCOSSA-N	-1	0	363.460	3.200	40	10		FGCBRM
CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000001871056	493798992	/nfs/dbraw/zinc/79/89/92/493798992.db2.gz	YMROUWWXJZVOEG-UKTHLTGXSA-N	-1	0	351.449	3.151	40	10		FGCBRM
Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c2ccccc2n1C	ZINC000059249776	493902627	/nfs/dbraw/zinc/90/26/27/493902627.db2.gz	HKGLEYSORBGRPN-ATVHPVEESA-N	-1	0	373.412	3.462	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000013576304	494289323	/nfs/dbraw/zinc/28/93/23/494289323.db2.gz	PXSWFOGPJIACMA-JLHYYAGUSA-N	-1	0	356.765	3.015	40	10		FGCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)S1	ZINC000020265126	494469942	/nfs/dbraw/zinc/46/99/42/494469942.db2.gz	QLZMWGGIDSEEMS-ZROIWOOFSA-N	-1	0	369.358	3.375	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000408788958	499594890	/nfs/dbraw/zinc/59/48/90/499594890.db2.gz	GSDPMEYTUCBBLR-RVDMUPIBSA-N	-1	0	370.792	3.405	40	10		FGCBRM
CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408816672	499595100	/nfs/dbraw/zinc/59/51/00/499595100.db2.gz	RZDQZLAPKZZKSC-FOWTUZBSSA-N	-1	0	350.374	3.140	40	10		FGCBRM
O=C1[N-]C(=O)C(=Cc2c(Cc3cccc(F)c3)ccc3ccccc32)C(=O)N1	ZINC000408876515	570694865	/nfs/dbraw/zinc/69/48/65/570694865.db2.gz	POZDTCXHSAKFOI-UHFFFAOYSA-N	-1	0	374.371	3.319	40	10		FGCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)n1	ZINC000104124382	222350706	/nfs/dbraw/zinc/35/07/06/222350706.db2.gz	SKYMKWHKGCGRJP-MRCUWXFGSA-N	-1	0	370.394	3.102	40	10		FGCBRM
N#CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000034835250	494069513	/nfs/dbraw/zinc/06/95/13/494069513.db2.gz	YNDFOZZGWWXWTQ-RGEXLXHISA-N	-1	0	369.380	3.204	40	10		FGCBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408802296	499595079	/nfs/dbraw/zinc/59/50/79/499595079.db2.gz	YBOHHVQUVIZQNM-DTQAZKPQSA-N	-1	0	350.374	3.142	40	10		FGCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408810864	499595157	/nfs/dbraw/zinc/59/51/57/499595157.db2.gz	JSOJGFFQXCOXQY-GXDHUFHOSA-N	-1	0	356.765	3.015	40	10		FGCBRM
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408820113	499595245	/nfs/dbraw/zinc/59/52/45/499595245.db2.gz	UAFYDTWQXKXTBB-DHDCSXOGSA-N	-1	0	356.403	3.458	40	10		FGCBRM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1	ZINC000408879041	570694843	/nfs/dbraw/zinc/69/48/43/570694843.db2.gz	DZGFVHFNFCWVIP-NTEUORMPSA-N	-1	0	370.792	3.329	40	10		FGCBRM
CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O	ZINC000408989053	570708788	/nfs/dbraw/zinc/70/87/88/570708788.db2.gz	JOVJLXVAGMFVMD-LGMDPLHJSA-N	-1	0	364.401	3.314	40	10		FGCBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1	ZINC000409237529	570743119	/nfs/dbraw/zinc/74/31/19/570743119.db2.gz	VBLIISZTNPCPOT-MDWZMJQESA-N	-1	0	360.822	3.381	40	10		FGCBRM
CC[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000409410096	570757192	/nfs/dbraw/zinc/75/71/92/570757192.db2.gz	YVADJXIDFGBAFH-VMOJBDSFSA-N	-1	0	366.417	3.334	40	10		FGCBRM
Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000101566541	222277830	/nfs/dbraw/zinc/27/78/30/222277830.db2.gz	QTTDZDKFEMOZEY-GBIKHYSHSA-N	-1	0	355.175	3.138	40	10		FGCBRM
COc1cccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1O	ZINC000059135689	493902772	/nfs/dbraw/zinc/90/27/72/493902772.db2.gz	IMYRRHDFCGKEBQ-LUAWRHEFSA-N	-1	0	372.377	3.212	40	10		FGCBRM
Cc1ccc(N2C(=O)/C(=C\c3ccn(C)c3)SC2=S)cc1C(=O)[O-]	ZINC000005374027	493926711	/nfs/dbraw/zinc/92/67/11/493926711.db2.gz	ROEQWOCKDRQQHL-VGOFMYFVSA-N	-1	0	358.444	3.438	40	10		FGCBRM
C=CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl	ZINC000107920257	494623052	/nfs/dbraw/zinc/62/30/52/494623052.db2.gz	XRPKUIINCTZFMG-PTNGSMBKSA-N	-1	0	354.793	3.366	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000408805577	499595200	/nfs/dbraw/zinc/59/52/00/499595200.db2.gz	GWHSCXDQDZEHDV-NTEUORMPSA-N	-1	0	370.792	3.323	40	10		FGCBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000408819082	499595216	/nfs/dbraw/zinc/59/52/16/499595216.db2.gz	YCIMOIMQALUKQN-GHRIWEEISA-N	-1	0	364.401	3.450	40	10		FGCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1	ZINC000408865483	570693700	/nfs/dbraw/zinc/69/37/00/570693700.db2.gz	CSACEGNLLVGPMA-LFIBNONCSA-N	-1	0	370.792	3.405	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408868372	570693943	/nfs/dbraw/zinc/69/39/43/570693943.db2.gz	MGEDICXDUXZEAC-SFQUDFHCSA-N	-1	0	350.374	3.060	40	10		FGCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3C)C2=O)cc1	ZINC000408981340	570707310	/nfs/dbraw/zinc/70/73/10/570707310.db2.gz	AUVALGPGJXTRMV-PDGQHHTCSA-N	-1	0	364.401	3.232	40	10		FGCBRM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000016160732	211156743	/nfs/dbraw/zinc/15/67/43/211156743.db2.gz	IIZFTERXRCGJKU-DHDCSXOGSA-N	-1	0	371.780	3.462	40	10		FGCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000001192605	132380847	/nfs/dbraw/zinc/38/08/47/132380847.db2.gz	LYEYBSVNDFVEIX-XNTDXEJSSA-N	-1	0	356.765	3.015	40	10		FGCBRM
COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1O	ZINC000059106158	493902229	/nfs/dbraw/zinc/90/22/29/493902229.db2.gz	YSFNLLNKSLDBOD-LCYFTJDESA-N	-1	0	356.309	3.047	40	10		FGCBRM
CCc1nc(SC(=Cc2ccc(N(CC)CC)cc2O)C(=O)[O-])n[nH]1	ZINC000007342411	494016362	/nfs/dbraw/zinc/01/63/62/494016362.db2.gz	YJONDTUTZJXGIV-ZROIWOOFSA-N	-1	0	362.455	3.137	40	10		FGCBRM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1C(N)=O	ZINC000223282121	497035509	/nfs/dbraw/zinc/03/55/09/497035509.db2.gz	RCGAGYIAQVGQDQ-UHFFFAOYSA-N	-1	0	373.459	3.018	40	10		FGCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(Cl)c2)C1=O	ZINC000408534143	499591675	/nfs/dbraw/zinc/59/16/75/499591675.db2.gz	UZRPJNPDAHMVBE-RVDMUPIBSA-N	-1	0	369.808	3.481	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	ZINC000408799750	499594782	/nfs/dbraw/zinc/59/47/82/499594782.db2.gz	IFJOTTQFURYQPA-OQLLNIDSSA-N	-1	0	370.792	3.323	40	10		FGCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O)C1=O	ZINC000408893311	570696237	/nfs/dbraw/zinc/69/62/37/570696237.db2.gz	DSMRSBUTAHNVMZ-MDWZMJQESA-N	-1	0	356.765	3.020	40	10		FGCBRM
CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000408902551	570697509	/nfs/dbraw/zinc/69/75/09/570697509.db2.gz	JQSFTBPEVLPVLB-LFIBNONCSA-N	-1	0	368.364	3.279	40	10		FGCBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1F	ZINC000409148950	263534659	/nfs/dbraw/zinc/53/46/59/263534659.db2.gz	UXIXFYQVHVZRKD-OVCLIPMQSA-N	-1	0	374.393	3.354	40	10		FGCBRM
COc1ccc(N2C(=O)C(=Cc3ccc(O)cc3)C(=O)[N-]C2=S)cc1	ZINC000038180991	494111759	/nfs/dbraw/zinc/11/17/59/494111759.db2.gz	BHRMMFLIPGCPOU-GDNBJRDFSA-N	-1	0	354.387	3.072	40	10		FGCBRM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccco1	ZINC000408722327	499594656	/nfs/dbraw/zinc/59/46/56/499594656.db2.gz	HGLYAGKANGTOCS-JXMROGBWSA-N	-1	0	367.213	3.418	40	10		FGCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1	ZINC000408865378	570693852	/nfs/dbraw/zinc/69/38/52/570693852.db2.gz	DEJZDPSQZZITRE-OQLLNIDSSA-N	-1	0	370.792	3.323	40	10		FGCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccoc1	ZINC000409090581	570722233	/nfs/dbraw/zinc/72/22/33/570722233.db2.gz	RJKBOPBKKPDTNH-RMKNXTFCSA-N	-1	0	351.145	3.253	40	10		FGCBRM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1	ZINC000033323393	494058382	/nfs/dbraw/zinc/05/83/82/494058382.db2.gz	FSUULLGJESJFBJ-ZRQJSYPSSA-N	-1	0	369.764	3.266	40	10		FGCBRM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)cc2o1	ZINC000170552777	496720251	/nfs/dbraw/zinc/72/02/51/496720251.db2.gz	FXUDYDRDFJRGCR-UHFFFAOYSA-N	-1	0	373.415	3.045	40	10		FGCBRM
CC(C)COc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000408600532	499592748	/nfs/dbraw/zinc/59/27/48/499592748.db2.gz	CPVPHLMGJVUMCR-QPEQYQDCSA-N	-1	0	351.449	3.007	40	10		FGCBRM
CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408785038	499594735	/nfs/dbraw/zinc/59/47/35/499594735.db2.gz	XEUUVBILOKAFST-LFIBNONCSA-N	-1	0	352.415	3.383	40	10		FGCBRM
CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408877450	570694672	/nfs/dbraw/zinc/69/46/72/570694672.db2.gz	VYSYLEJGGHPJQY-MHWRWJLKSA-N	-1	0	370.792	3.405	40	10		FGCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O	ZINC000409251225	570746683	/nfs/dbraw/zinc/74/66/83/570746683.db2.gz	UDVPTSTUTBHKOX-MUGKHDKNSA-N	-1	0	356.765	3.464	40	10		FGCBRM
O=C([O-])CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000000966826	219347468	/nfs/dbraw/zinc/34/74/68/219347468.db2.gz	LNSRBGSDKMPINU-JXMROGBWSA-N	-1	0	372.265	3.125	40	10		FGCBRM
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000015228778	220150121	/nfs/dbraw/zinc/15/01/21/220150121.db2.gz	DHWGTJRXFFWLQH-DHDCSXOGSA-N	-1	0	356.403	3.458	40	10		FGCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	ZINC000059135778	493902647	/nfs/dbraw/zinc/90/26/47/493902647.db2.gz	RYOXGWAPXMETPU-FMIVXFBMSA-N	-1	0	371.349	3.406	40	10		FGCBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2cccnc2)SC1=S	ZINC000005372342	493927147	/nfs/dbraw/zinc/92/71/47/493927147.db2.gz	BBHWOVLQSNUCMV-AUWJEWJLSA-N	-1	0	356.428	3.494	40	10		FGCBRM
CCN1C(=O)/C(=C/c2c3ccc(OC)cc3[nH]c2C(=O)[O-])SC1=S	ZINC000256055674	528942539	/nfs/dbraw/zinc/94/25/39/528942539.db2.gz	PGODXZSLQQVPKM-GHXNOFRVSA-N	-1	0	362.432	3.096	40	10		FGCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(C)c3)C2=O)cc1	ZINC000408986926	570708320	/nfs/dbraw/zinc/70/83/20/570708320.db2.gz	NVGVSVGDTJZKFH-ATVHPVEESA-N	-1	0	364.401	3.232	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1	ZINC000409134607	570731059	/nfs/dbraw/zinc/73/10/59/570731059.db2.gz	WOFKLMKCXUUAOG-LFIBNONCSA-N	-1	0	366.442	3.143	40	10		FGCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O	ZINC000001163442	219383861	/nfs/dbraw/zinc/38/38/61/219383861.db2.gz	PKCSSTUWGJHRHQ-VZUCSPMQSA-N	-1	0	362.183	3.252	40	10		FGCBRM
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104230891	222352734	/nfs/dbraw/zinc/35/27/34/222352734.db2.gz	OXFDNFJVBHIBOG-MJWGMMHASA-N	-1	0	351.322	3.106	40	10		FGCBRM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000104975288	222363585	/nfs/dbraw/zinc/36/35/85/222363585.db2.gz	BJEUIDWNNLPRGL-OQLLNIDSSA-N	-1	0	371.780	3.462	40	10		FGCBRM
CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)C1=O	ZINC000059109652	493902857	/nfs/dbraw/zinc/90/28/57/493902857.db2.gz	XGGJXRFLGPHQGE-GZTJUZNOSA-N	-1	0	366.417	3.356	40	10		FGCBRM
Cn1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000005373994	493926921	/nfs/dbraw/zinc/92/69/21/493926921.db2.gz	GAUJTMLMYHWOMV-SSUFTNFISA-N	-1	0	358.444	3.052	40	10		FGCBRM
O=C([O-])COc1cccc(C=C2SC(Nc3ccccc3F)=NC2=O)c1	ZINC000210431309	496975673	/nfs/dbraw/zinc/97/56/73/496975673.db2.gz	MWNNEUYDDMGNFI-DHDCSXOGSA-N	-1	0	372.377	3.372	40	10		FGCBRM
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408798698	499594829	/nfs/dbraw/zinc/59/48/29/499594829.db2.gz	WPOKCWDLWARVPN-YBEGLDIGSA-N	-1	0	357.406	3.104	40	10		FGCBRM
CC(=C\c1ccco1)/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000408917611	499595266	/nfs/dbraw/zinc/59/52/66/499595266.db2.gz	YIXHQLUEOIONIQ-ZLPZIFTNSA-N	-1	0	356.378	3.196	40	10		FGCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1	ZINC000408878424	570694833	/nfs/dbraw/zinc/69/48/33/570694833.db2.gz	AOJUQCWMIBFFEY-LGMDPLHJSA-N	-1	0	364.401	3.314	40	10		FGCBRM
Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1	ZINC000408878475	570694884	/nfs/dbraw/zinc/69/48/84/570694884.db2.gz	BCIHKDUEZHOJEN-UHFFFAOYSA-N	-1	0	368.820	3.297	40	10		FGCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)s2)C1=O	ZINC000409239752	570743554	/nfs/dbraw/zinc/74/35/54/570743554.db2.gz	DWYFHEVMZHVARC-JLHYYAGUSA-N	-1	0	356.403	3.122	40	10		FGCBRM
Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c1	ZINC000409246074	570745308	/nfs/dbraw/zinc/74/53/08/570745308.db2.gz	DMPZNDYRHYWTQO-ZXPNPXPCSA-N	-1	0	352.415	3.284	40	10		FGCBRM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C(=O)N1	ZINC000018255989	211197061	/nfs/dbraw/zinc/19/70/61/211197061.db2.gz	QKIIJMCRQXHKJH-FMQUCBEESA-N	-1	0	371.378	3.104	40	10		FGCBRM
Cc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)o1	ZINC000409339514	263548976	/nfs/dbraw/zinc/54/89/76/263548976.db2.gz	JJFQAENEXZBKPN-YRNVUSSQSA-N	-1	0	350.446	3.196	40	10		FGCBRM
CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S	ZINC000005373556	493927281	/nfs/dbraw/zinc/92/72/81/493927281.db2.gz	XEJGPWJVWNQYOX-WGQGCQLISA-N	-1	0	365.476	3.396	40	10		FGCBRM
CC[C@@H](C)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000109425797	494871733	/nfs/dbraw/zinc/87/17/33/494871733.db2.gz	OOVJGJKGUBXBCM-GPLLRDDGSA-N	-1	0	367.405	3.368	40	10		FGCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl	ZINC000408777317	499594847	/nfs/dbraw/zinc/59/48/47/499594847.db2.gz	YGOVICHWMLATCS-ZROIWOOFSA-N	-1	0	370.792	3.323	40	10		FGCBRM
Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000408774282	499594928	/nfs/dbraw/zinc/59/49/28/499594928.db2.gz	BXAKTXGEXPHDAU-MDWZMJQESA-N	-1	0	372.833	3.185	40	10		FGCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)o1	ZINC000408818858	499595169	/nfs/dbraw/zinc/59/51/69/499595169.db2.gz	QVEXMXIPDMFSSS-FOWTUZBSSA-N	-1	0	367.405	3.101	40	10		FGCBRM
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C	ZINC000408820533	499595263	/nfs/dbraw/zinc/59/52/63/499595263.db2.gz	YISXSSUKQWOKJM-NVNXTCNLSA-N	-1	0	356.403	3.425	40	10		FGCBRM
CCCOc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408885257	263503940	/nfs/dbraw/zinc/50/39/40/263503940.db2.gz	YJBWYLRMMLCPJM-SSZFMOIBSA-N	-1	0	366.442	3.307	40	10		FGCBRM
CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O	ZINC000408535246	499592003	/nfs/dbraw/zinc/59/20/03/499592003.db2.gz	YCPXJQVJWCJSLX-DTQAZKPQSA-N	-1	0	363.417	3.390	40	10		FGCBRM
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408995252	499595394	/nfs/dbraw/zinc/59/53/94/499595394.db2.gz	BDLMURWKUFLJSZ-ATVHPVEESA-N	-1	0	363.369	3.262	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000408807770	263497433	/nfs/dbraw/zinc/49/74/33/263497433.db2.gz	KYMSGOXRHQHASX-ACCUITESSA-N	-1	0	370.792	3.405	40	10		FGCBRM
CC(C)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000408601490	499592737	/nfs/dbraw/zinc/59/27/37/499592737.db2.gz	KGPUVWFCBXARQU-SFQUDFHCSA-N	-1	0	364.401	3.388	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000408815479	499595174	/nfs/dbraw/zinc/59/51/74/499595174.db2.gz	RKJJOMUZGMVGDG-OQLLNIDSSA-N	-1	0	356.765	3.015	40	10		FGCBRM
Cc1cc(C)cc(Cc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)c1	ZINC000408866649	570693720	/nfs/dbraw/zinc/69/37/20/570693720.db2.gz	HPRUHOFZULTIJM-UHFFFAOYSA-N	-1	0	368.820	3.297	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1	ZINC000408876496	570694659	/nfs/dbraw/zinc/69/46/59/570694659.db2.gz	LOOHYGKLFUSUAU-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
Cn1cccc1/C=C1/SC(=S)N(c2ccc(CC(=O)[O-])cc2)C1=O	ZINC000004291554	219562141	/nfs/dbraw/zinc/56/21/41/219562141.db2.gz	IBHAJDOULMFEBJ-GXDHUFHOSA-N	-1	0	358.444	3.058	40	10		FGCBRM
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000101568103	222277736	/nfs/dbraw/zinc/27/77/36/222277736.db2.gz	SARVXNONKJZWEN-SDQBBNPISA-N	-1	0	368.436	3.166	40	10		FGCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375019	493927907	/nfs/dbraw/zinc/92/79/07/493927907.db2.gz	ZBDQNTOLIHPORX-IAOKNECISA-N	-1	0	363.460	3.200	40	10		FGCBRM
CCc1nc(SC(=Cc2ccc(N3CCCC3)cc2C)C(=O)[O-])n[nH]1	ZINC000007342620	494017046	/nfs/dbraw/zinc/01/70/46/494017046.db2.gz	JWLYSHFLFONDSK-RVDMUPIBSA-N	-1	0	358.467	3.494	40	10		FGCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C)cc2C)C1=O	ZINC000408533261	499591518	/nfs/dbraw/zinc/59/15/18/499591518.db2.gz	RTZGFCYMXRCHTI-FOWTUZBSSA-N	-1	0	363.417	3.445	40	10		FGCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000408867174	570693636	/nfs/dbraw/zinc/69/36/36/570693636.db2.gz	JEPCDLIFADANLB-OQLLNIDSSA-N	-1	0	370.792	3.323	40	10		FGCBRM
CCn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21	ZINC000409207783	570739218	/nfs/dbraw/zinc/73/92/18/570739218.db2.gz	ZWXHVBDDSVQYDK-WJDWOHSUSA-N	-1	0	351.406	3.066	40	10		FGCBRM
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(O)cc2)S1	ZINC000020226892	220320370	/nfs/dbraw/zinc/32/03/70/220320370.db2.gz	UOSHAZXGNIJERC-NVNXTCNLSA-N	-1	0	354.387	3.481	40	10		FGCBRM
Cn1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000005373998	493926877	/nfs/dbraw/zinc/92/68/77/493926877.db2.gz	GAUJTMLMYHWOMV-KADHNRKRSA-N	-1	0	358.444	3.052	40	10		FGCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl	ZINC000408780189	499594917	/nfs/dbraw/zinc/59/49/17/499594917.db2.gz	VBEUCEKKHLTDPY-FLIBITNWSA-N	-1	0	374.755	3.154	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	ZINC000408847921	570691661	/nfs/dbraw/zinc/69/16/61/570691661.db2.gz	WWSIYDZJNDZLMZ-XYOKQWHBSA-N	-1	0	362.719	3.285	40	10		FGCBRM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000408873809	570694401	/nfs/dbraw/zinc/69/44/01/570694401.db2.gz	VYKHQSABUYGGON-UVTDQMKNSA-N	-1	0	372.833	3.180	40	10		FGCBRM
O=C([N-]N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1cccs1	ZINC000409345112	570751693	/nfs/dbraw/zinc/75/16/93/570751693.db2.gz	KHNOODYISBNDKU-XYOKQWHBSA-N	-1	0	364.448	3.433	40	10		FGCBRM
Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000101566546	222277685	/nfs/dbraw/zinc/27/76/85/222277685.db2.gz	QTTDZDKFEMOZEY-GIPNMCIBSA-N	-1	0	355.175	3.138	40	10		FGCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)n1	ZINC000104124346	222350473	/nfs/dbraw/zinc/35/04/73/222350473.db2.gz	TYXHQWIUGPWYLC-MRCUWXFGSA-N	-1	0	370.394	3.102	40	10		FGCBRM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1O	ZINC000059136450	263416502	/nfs/dbraw/zinc/41/65/02/263416502.db2.gz	PDYFLTWHDYHZRM-DHZHZOJOSA-N	-1	0	372.377	3.212	40	10		FGCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S	ZINC000005373563	493927120	/nfs/dbraw/zinc/92/71/20/493927120.db2.gz	XEJGPWJVWNQYOX-NEQSRXPGSA-N	-1	0	365.476	3.396	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000005593111	493936302	/nfs/dbraw/zinc/93/63/02/493936302.db2.gz	WQVKADBMIWAFSP-ACCUITESSA-N	-1	0	370.405	3.056	40	10		FGCBRM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1F	ZINC000033708835	494062189	/nfs/dbraw/zinc/06/21/89/494062189.db2.gz	BJCMHWOKALDLTF-AQTBWJFISA-N	-1	0	365.408	3.277	40	10		FGCBRM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000101148850	222264160	/nfs/dbraw/zinc/26/41/60/222264160.db2.gz	JBRLTLUCENDCHL-MHWRWJLKSA-N	-1	0	351.362	3.117	40	10		FGCBRM
CC(C)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000408866467	263503035	/nfs/dbraw/zinc/50/30/35/263503035.db2.gz	HNNHXTQLCLUWPT-KAMYIIQDSA-N	-1	0	368.364	3.279	40	10		FGCBRM
CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1	ZINC000005373636	493927327	/nfs/dbraw/zinc/92/73/27/493927327.db2.gz	DDUGJAULLCKRIZ-XXYUJHKVSA-N	-1	0	365.476	3.396	40	10		FGCBRM
O=C([O-])c1ccc(COc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1	ZINC000408530467	499591701	/nfs/dbraw/zinc/59/17/01/499591701.db2.gz	LXJWPUADZJNNOW-DHDCSXOGSA-N	-1	0	371.439	3.453	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1C	ZINC000408785996	499594878	/nfs/dbraw/zinc/59/48/78/499594878.db2.gz	DJTGPONPKXTWSI-RIYZIHGNSA-N	-1	0	370.792	3.329	40	10		FGCBRM
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1C(=O)[O-]	ZINC000408768434	499594937	/nfs/dbraw/zinc/59/49/37/499594937.db2.gz	JBPDKZGJSWBVLU-ATVHPVEESA-N	-1	0	369.417	3.390	40	10		FGCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1	ZINC000408875733	570694762	/nfs/dbraw/zinc/69/47/62/570694762.db2.gz	KJODFVYVFXDILV-XNTDXEJSSA-N	-1	0	356.765	3.015	40	10		FGCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C	ZINC000408963385	570704123	/nfs/dbraw/zinc/70/41/23/570704123.db2.gz	ZFKZEZCEJYNISW-LICLKQGHSA-N	-1	0	369.396	3.491	40	10		FGCBRM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000408968241	570705034	/nfs/dbraw/zinc/70/50/34/570705034.db2.gz	XNCRJVFLGYHSQI-YRNVUSSQSA-N	-1	0	350.758	3.207	40	10		FGCBRM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1	ZINC000016160729	220179914	/nfs/dbraw/zinc/17/99/14/220179914.db2.gz	BJEUIDWNNLPRGL-DHDCSXOGSA-N	-1	0	371.780	3.462	40	10		FGCBRM
[O-]c1c(O)c(O)c(Br)c(Br)c1Br	ZINC000001747827	493798395	/nfs/dbraw/zinc/79/83/95/493798395.db2.gz	ARJKUIKBPQATMT-UHFFFAOYSA-N	-1	0	362.799	3.091	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1	ZINC000408818356	499595251	/nfs/dbraw/zinc/59/52/51/499595251.db2.gz	XQYVGAQYODRYOU-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1	ZINC000408965442	570704675	/nfs/dbraw/zinc/70/46/75/570704675.db2.gz	HNMVBKNDKCJHRA-XYOKQWHBSA-N	-1	0	362.794	3.077	40	10		FGCBRM
O=C1NC(=S)S/C1=C\c1cc(Br)cc(Cl)c1[O-]	ZINC000013476303	220069639	/nfs/dbraw/zinc/06/96/39/220069639.db2.gz	UCJRZERBHWQWEO-UQCOIBPSSA-N	-1	0	350.646	3.297	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O	ZINC000059502718	493907372	/nfs/dbraw/zinc/90/73/72/493907372.db2.gz	LDQPUWFCSKVHRU-ZRDIBKRKSA-N	-1	0	356.765	3.015	40	10		FGCBRM
Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C	ZINC000005571088	493935286	/nfs/dbraw/zinc/93/52/86/493935286.db2.gz	MOUCTFQOWSJBKV-NVNXTCNLSA-N	-1	0	356.403	3.425	40	10		FGCBRM
Cc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)c1	ZINC000005678868	493939746	/nfs/dbraw/zinc/93/97/46/493939746.db2.gz	LWTZTVSTHLFADX-LICLKQGHSA-N	-1	0	352.365	3.417	40	10		FGCBRM
Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408915049	499595094	/nfs/dbraw/zinc/59/50/94/499595094.db2.gz	UCVQDYPCTOZJET-MHWRWJLKSA-N	-1	0	363.348	3.282	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000408994070	499595608	/nfs/dbraw/zinc/59/56/08/499595608.db2.gz	YGNRZFWKAPMDGE-FOWTUZBSSA-N	-1	0	366.442	3.225	40	10		FGCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(O)c2)C1=O	ZINC000408938260	570701651	/nfs/dbraw/zinc/70/16/51/570701651.db2.gz	PRLFULNNDOJBDV-LCYFTJDESA-N	-1	0	356.765	3.020	40	10		FGCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S	ZINC000005373551	204206328	/nfs/dbraw/zinc/20/63/28/204206328.db2.gz	XEJGPWJVWNQYOX-WXHLEUTKSA-N	-1	0	365.476	3.396	40	10		FGCBRM
O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104124291	205997701	/nfs/dbraw/zinc/99/77/01/205997701.db2.gz	KIJSBNNAQVSOOK-VXPUYCOJSA-N	-1	0	355.379	3.398	40	10		FGCBRM
Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1	ZINC000004718876	206182082	/nfs/dbraw/zinc/18/20/82/206182082.db2.gz	MIDBIFHKQBAFHK-GDNBJRDFSA-N	-1	0	357.207	3.219	40	10		FGCBRM
CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC	ZINC000034718827	494067877	/nfs/dbraw/zinc/06/78/77/494067877.db2.gz	XNEGZVHIOZRQJA-GDNBJRDFSA-N	-1	0	372.808	3.209	40	10		FGCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1	ZINC000408816224	499595114	/nfs/dbraw/zinc/59/51/14/499595114.db2.gz	SZFMMYVFDXYXNT-LDADJPATSA-N	-1	0	364.401	3.449	40	10		FGCBRM
COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408962431	499595483	/nfs/dbraw/zinc/59/54/83/499595483.db2.gz	RYAGCAZUKIPNMY-FKKWJZCKSA-N	-1	0	362.385	3.226	40	10		FGCBRM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S	ZINC000409014616	499595836	/nfs/dbraw/zinc/59/58/36/499595836.db2.gz	XPGHZXCECJPSRM-NTUHNPAUSA-N	-1	0	363.391	3.372	40	10		FGCBRM
CC(C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c2ccccc21	ZINC000409392114	263555551	/nfs/dbraw/zinc/55/55/51/263555551.db2.gz	LEMDFZDMUFYWGY-GZTJUZNOSA-N	-1	0	374.400	3.284	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1	ZINC000006355113	493960190	/nfs/dbraw/zinc/96/01/90/493960190.db2.gz	RHDKYRLIULJFHL-FOWTUZBSSA-N	-1	0	350.374	3.060	40	10		FGCBRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc2ccccc2c1	ZINC000408547099	499591873	/nfs/dbraw/zinc/59/18/73/499591873.db2.gz	VWGTXPUIVGSSKJ-BOPFTXTBSA-N	-1	0	361.357	3.007	40	10		FGCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1	ZINC000408778899	499594911	/nfs/dbraw/zinc/59/49/11/499594911.db2.gz	ZJVJDRJTNURWQS-NTEUORMPSA-N	-1	0	370.792	3.274	40	10		FGCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1C	ZINC000409072808	499595646	/nfs/dbraw/zinc/59/56/46/499595646.db2.gz	LEEUNYKXTAHTCH-GZTJUZNOSA-N	-1	0	351.406	3.100	40	10		FGCBRM
C[C@@H]1Cc2cc(/C=C3\C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)ccc2O1	ZINC000588228539	506243573	/nfs/dbraw/zinc/24/35/73/506243573.db2.gz	LOHFBMADEYULMM-WWNSAXIVSA-N	-1	0	372.783	3.264	40	10		FGCBRM
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O)C1=O	ZINC000408890467	570695253	/nfs/dbraw/zinc/69/52/53/570695253.db2.gz	UGGBGHPBKMRKBB-FMIVXFBMSA-N	-1	0	356.765	3.020	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1C	ZINC000408898447	570696499	/nfs/dbraw/zinc/69/64/99/570696499.db2.gz	LJYAVFUVTANUOS-OQLLNIDSSA-N	-1	0	370.792	3.329	40	10		FGCBRM
O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	ZINC000004623606	204150888	/nfs/dbraw/zinc/15/08/88/204150888.db2.gz	JXLVSBCVKUJJGM-MDOVXXIYSA-N	-1	0	363.417	3.113	40	10		FGCBRM
Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000004817417	204165467	/nfs/dbraw/zinc/16/54/67/204165467.db2.gz	QTTDZDKFEMOZEY-OUJBWJOFSA-N	-1	0	355.175	3.138	40	10		FGCBRM
O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Br)c1[O-]	ZINC000013476307	206302942	/nfs/dbraw/zinc/30/29/42/206302942.db2.gz	PCXDHHTZCKUWJH-UQCOIBPSSA-N	-1	0	350.646	3.297	40	10		FGCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O	ZINC000006479420	263345229	/nfs/dbraw/zinc/34/52/29/263345229.db2.gz	LPIXLVNWAALHHH-SFQUDFHCSA-N	-1	0	364.401	3.449	40	10		FGCBRM
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000059435440	493906787	/nfs/dbraw/zinc/90/67/87/493906787.db2.gz	ZVIYYTAYQVBHBZ-ATVHPVEESA-N	-1	0	369.417	3.390	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(F)cccc3Cl)C2=O)cc1	ZINC000408780606	499594902	/nfs/dbraw/zinc/59/49/02/499594902.db2.gz	GBCXPVYIXXSBLS-UKTHLTGXSA-N	-1	0	358.756	3.454	40	10		FGCBRM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000408852832	570691984	/nfs/dbraw/zinc/69/19/84/570691984.db2.gz	JBUYYRCUSIAGEL-VQHVLOKHSA-N	-1	0	366.826	3.372	40	10		FGCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O	ZINC000409245571	570744952	/nfs/dbraw/zinc/74/49/52/570744952.db2.gz	VZLPGJZCQLCFMJ-SFQUDFHCSA-N	-1	0	367.474	3.463	40	10		FGCBRM
CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408941565	570701576	/nfs/dbraw/zinc/70/15/76/570701576.db2.gz	XBRBMRFLKCOHMV-LGMDPLHJSA-N	-1	0	350.374	3.142	40	10		FGCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2C)C1=O	ZINC000409088307	570721440	/nfs/dbraw/zinc/72/14/40/570721440.db2.gz	KYKOTUKQADDAAE-JLHYYAGUSA-N	-1	0	373.865	3.301	40	10		FGCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375012	204205527	/nfs/dbraw/zinc/20/55/27/204205527.db2.gz	LIIIRNSDVMUKBV-GFAPJHNFSA-N	-1	0	363.460	3.344	40	10		FGCBRM
Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C\c2cccn2C)SC1=S	ZINC000005371643	204206067	/nfs/dbraw/zinc/20/60/67/204206067.db2.gz	DSDYGEFJZUUJCY-NTEUORMPSA-N	-1	0	358.444	3.438	40	10		FGCBRM
Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)C(C)=CC(C)(C)N2C(C)C	ZINC000223508016	132279689	/nfs/dbraw/zinc/27/96/89/132279689.db2.gz	IBLMJWWSHUOUDJ-UHFFFAOYSA-N	-1	0	367.449	3.155	40	10		FGCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408804618	263496138	/nfs/dbraw/zinc/49/61/38/263496138.db2.gz	YYAZNJLJKMTQEL-GHRIWEEISA-N	-1	0	350.374	3.142	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000408784459	499594751	/nfs/dbraw/zinc/59/47/51/499594751.db2.gz	RHWOVLQMWRWLCS-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408796108	499594766	/nfs/dbraw/zinc/59/47/66/499594766.db2.gz	DREFDPJDAJLZEN-GHRIWEEISA-N	-1	0	364.401	3.450	40	10		FGCBRM
Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)[N-]C1=S	ZINC000408780315	499594862	/nfs/dbraw/zinc/59/48/62/499594862.db2.gz	XFGVZMGVQRZDLL-XYOKQWHBSA-N	-1	0	372.833	3.185	40	10		FGCBRM
COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(=O)[N-]C2=S)cc1	ZINC000408762733	499594979	/nfs/dbraw/zinc/59/49/79/499594979.db2.gz	LBCSNDALYQMSJE-UVTDQMKNSA-N	-1	0	372.833	3.180	40	10		FGCBRM
CCOc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)[N-]C2=S)cc1	ZINC000408993771	499595519	/nfs/dbraw/zinc/59/55/19/499595519.db2.gz	FPDRBOFXUPWLFM-GXDHUFHOSA-N	-1	0	372.471	3.287	40	10		FGCBRM
CCc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)[N-]C2=S)cc1	ZINC000408992341	499595568	/nfs/dbraw/zinc/59/55/68/499595568.db2.gz	AIUWZSQSHGUMMN-GXDHUFHOSA-N	-1	0	356.472	3.450	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O	ZINC000409134147	570730819	/nfs/dbraw/zinc/73/08/19/570730819.db2.gz	MYJQMRHICPSAOI-RVDMUPIBSA-N	-1	0	366.442	3.143	40	10		FGCBRM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	ZINC000004745779	204160818	/nfs/dbraw/zinc/16/08/18/204160818.db2.gz	RRAQXCYZVBFMBU-ONBLTVQMSA-N	-1	0	353.852	3.484	40	10		FGCBRM
CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O	ZINC000005947709	493946161	/nfs/dbraw/zinc/94/61/61/493946161.db2.gz	WTNRNYFMMMWPEP-GZTJUZNOSA-N	-1	0	367.405	3.425	40	10		FGCBRM
O=C([O-])c1csc(-n2nc(-c3ccc(O)c(O)c3)cc2C(F)(F)F)n1	ZINC000033413663	494060137	/nfs/dbraw/zinc/06/01/37/494060137.db2.gz	NXBLMXWDCUOCJA-UHFFFAOYSA-N	-1	0	371.296	3.124	40	10		FGCBRM
CCc1ccc(N2C(=O)C(=Cc3ccc(O)c(O)c3)C(=O)[N-]C2=S)cc1	ZINC000038177212	494111712	/nfs/dbraw/zinc/11/17/12/494111712.db2.gz	ZQDTYLIANBRVOA-NTEUORMPSA-N	-1	0	368.414	3.332	40	10		FGCBRM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1C	ZINC000408997636	570709872	/nfs/dbraw/zinc/70/98/72/570709872.db2.gz	HOWXNGNCFXFFOC-NVNXTCNLSA-N	-1	0	371.824	3.148	40	10		FGCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c1C	ZINC000409088320	570721782	/nfs/dbraw/zinc/72/17/82/570721782.db2.gz	LBAOEJYCCQLYPY-GZTJUZNOSA-N	-1	0	367.474	3.265	40	10		FGCBRM
O=C([O-])Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1	ZINC000004193752	204127949	/nfs/dbraw/zinc/12/79/49/204127949.db2.gz	TUMVMYLEAAHBJD-ZROIWOOFSA-N	-1	0	356.428	3.115	40	10		FGCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S	ZINC000005375020	204205656	/nfs/dbraw/zinc/20/56/56/204205656.db2.gz	ZBDQNTOLIHPORX-HRYODUOUSA-N	-1	0	363.460	3.200	40	10		FGCBRM
NS(=O)(=O)c1ccc(NN=C2C=c3ccccc3=C(C(=O)[O-])C2=O)cc1	ZINC000013099120	494279513	/nfs/dbraw/zinc/27/95/13/494279513.db2.gz	ROSNSSVBDFGLGW-VXPUYCOJSA-N	-1	0	371.374	3.306	40	10	in-vitro	FGCBRM
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O	ZINC000108995510	494818337	/nfs/dbraw/zinc/81/83/37/494818337.db2.gz	MGWRVOLIJAFEJP-ATVHPVEESA-N	-1	0	365.408	3.196	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1	ZINC000408817038	499595303	/nfs/dbraw/zinc/59/53/03/499595303.db2.gz	ZNSYDBHQIYVASC-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408871614	570694378	/nfs/dbraw/zinc/69/43/78/570694378.db2.gz	HUDDNXNHWQJKGA-CXUHLZMHSA-N	-1	0	370.792	3.323	40	10		FGCBRM
O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	ZINC000004623609	204150458	/nfs/dbraw/zinc/15/04/58/204150458.db2.gz	JXLVSBCVKUJJGM-BXTJHSDWSA-N	-1	0	363.417	3.113	40	10		FGCBRM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000005371234	204205560	/nfs/dbraw/zinc/20/55/60/204205560.db2.gz	BKVBUWDYAXIFQC-YFBAIUBQSA-N	-1	0	351.449	3.093	40	10		FGCBRM
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000005373601	204205806	/nfs/dbraw/zinc/20/58/06/204205806.db2.gz	SCAGRUNJHCHNBC-WXHLEUTKSA-N	-1	0	365.476	3.396	40	10		FGCBRM
Cc1ccc(N2[N-]C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C	ZINC000000779677	206132973	/nfs/dbraw/zinc/13/29/73/206132973.db2.gz	WNMHJUTWXNPPLZ-MKMNVTDBSA-N	-1	0	370.792	3.147	40	10		FGCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000016157347	494380451	/nfs/dbraw/zinc/38/04/51/494380451.db2.gz	RMFAKWGDVHOSGV-GDNBJRDFSA-N	-1	0	356.765	3.015	40	10		FGCBRM
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104230882	495272407	/nfs/dbraw/zinc/27/24/07/495272407.db2.gz	OXFDNFJVBHIBOG-AMGRQBIBSA-N	-1	0	351.322	3.106	40	10		FGCBRM
O=C([O-])COc1ccc(C=C2SC(Nc3ccccc3F)=NC2=O)cc1	ZINC000210412010	496976087	/nfs/dbraw/zinc/97/60/87/496976087.db2.gz	UZMLURGHXIXZJC-DHDCSXOGSA-N	-1	0	372.377	3.372	40	10		FGCBRM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(O)cc1	ZINC000408531362	499591585	/nfs/dbraw/zinc/59/15/85/499591585.db2.gz	NUOSFTVBOQXGOT-SFQUDFHCSA-N	-1	0	373.368	3.124	40	10		FGCBRM
CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1	ZINC000409345924	570753028	/nfs/dbraw/zinc/75/30/28/570753028.db2.gz	MDZAEJXRLZLMRY-SEEODLKFSA-N	-1	0	351.449	3.150	40	10		FGCBRM
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c1	ZINC000000857529	209378284	/nfs/dbraw/zinc/37/82/84/209378284.db2.gz	GATRTEBLRZYUDV-UHFFFAOYSA-N	-1	0	368.341	3.399	40	10		FGCBRM
COc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1	ZINC000005284633	207091702	/nfs/dbraw/zinc/09/17/02/207091702.db2.gz	OOUBYGCUIICOLA-CKXDQPNJSA-N	-1	0	365.476	3.396	40	10		FGCBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000005373598	207096910	/nfs/dbraw/zinc/09/69/10/207096910.db2.gz	SCAGRUNJHCHNBC-OIQXIXSWSA-N	-1	0	365.476	3.396	40	10		FGCBRM
Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1	ZINC000100962680	132233591	/nfs/dbraw/zinc/23/35/91/132233591.db2.gz	VYQHAVCFOCWULI-RVDMUPIBSA-N	-1	0	351.431	3.047	40	10		FGCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2O)C1=O	ZINC000408884348	263504524	/nfs/dbraw/zinc/50/45/24/263504524.db2.gz	YPJPLMJRFVBHQR-UVTDQMKNSA-N	-1	0	370.792	3.274	40	10		FGCBRM
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)S1	ZINC000020265146	494469995	/nfs/dbraw/zinc/46/99/95/494469995.db2.gz	KQVZZMUELPGYIE-ZROIWOOFSA-N	-1	0	369.358	3.375	40	10		FGCBRM
CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408604177	499592755	/nfs/dbraw/zinc/59/27/55/499592755.db2.gz	UDEPARKHUQLEQV-LDADJPATSA-N	-1	0	364.401	3.388	40	10		FGCBRM
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)[N-]C2=S)cc1	ZINC000408787943	499594924	/nfs/dbraw/zinc/59/49/24/499594924.db2.gz	BDORPJATBLGMAZ-GZTJUZNOSA-N	-1	0	367.474	3.036	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c1	ZINC000408873175	570694324	/nfs/dbraw/zinc/69/43/24/570694324.db2.gz	OBQCINFVHIBREC-QGOAFFKASA-N	-1	0	364.401	3.314	40	10		FGCBRM
CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)SC1=S	ZINC000409005010	570711354	/nfs/dbraw/zinc/71/13/54/570711354.db2.gz	CTVGFAUURUOXJG-WDZFZDKYSA-N	-1	0	357.840	3.025	40	10		FGCBRM
Cc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1	ZINC000409128673	570730249	/nfs/dbraw/zinc/73/02/49/570730249.db2.gz	TUGOECKMSOYIEQ-DHDCSXOGSA-N	-1	0	356.403	3.215	40	10		FGCBRM
Cc1c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc2n1C	ZINC000409097861	499595676	/nfs/dbraw/zinc/59/56/76/499595676.db2.gz	NTJRFHRFWKDLGD-NTEUORMPSA-N	-1	0	360.460	3.163	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1	ZINC000409018110	499595832	/nfs/dbraw/zinc/59/58/32/499595832.db2.gz	RFPCWKNQHHZSLM-MHWRWJLKSA-N	-1	0	370.405	3.056	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000409222263	570742694	/nfs/dbraw/zinc/74/26/94/570742694.db2.gz	WKVULCJFQAAKQJ-FOWTUZBSSA-N	-1	0	366.442	3.225	40	10		FGCBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(F)cc1	ZINC000409142338	263533003	/nfs/dbraw/zinc/53/30/03/263533003.db2.gz	KVSLNHNIKXWINX-OVCLIPMQSA-N	-1	0	374.393	3.354	40	10		FGCBRM
CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000409350668	263550108	/nfs/dbraw/zinc/55/01/08/263550108.db2.gz	YSIGFMZNGFNFAO-AAIQCTMTSA-N	-1	0	351.449	3.150	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000059336663	493904785	/nfs/dbraw/zinc/90/47/85/493904785.db2.gz	VAWKNIVGHDUOBF-MDWZMJQESA-N	-1	0	374.755	3.154	40	10		FGCBRM
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2NC(=O)[N-]C2=O)c1C	ZINC000206089116	496974078	/nfs/dbraw/zinc/97/40/78/496974078.db2.gz	GLFGUNRWWFKULM-QPEQYQDCSA-N	-1	0	356.338	3.032	40	10		FGCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)c1	ZINC000408802889	499595204	/nfs/dbraw/zinc/59/52/04/499595204.db2.gz	IVPPJZAIVASBMQ-SFQUDFHCSA-N	-1	0	364.401	3.449	40	10		FGCBRM
COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1	ZINC000408961079	499595617	/nfs/dbraw/zinc/59/56/17/499595617.db2.gz	AAJPOVAUYKDVIM-GFJWLWTISA-N	-1	0	366.348	3.057	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1	ZINC000408878858	570694641	/nfs/dbraw/zinc/69/46/41/570694641.db2.gz	CSBYPYWBHDDJLE-FOWTUZBSSA-N	-1	0	350.374	3.060	40	10		FGCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1C	ZINC000409120408	570728011	/nfs/dbraw/zinc/72/80/11/570728011.db2.gz	VOFXMEYHCOJRJD-WOJGMQOQSA-N	-1	0	365.433	3.408	40	10		FGCBRM
CCc1nnc(S/C(=C\c2ccc(N(CC)CC)cc2O)C(=O)[O-])o1	ZINC000007342649	494016898	/nfs/dbraw/zinc/01/68/98/494016898.db2.gz	RRAXLULNNSHNMR-ZROIWOOFSA-N	-1	0	363.439	3.402	40	10		FGCBRM
N#Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1	ZINC000033871434	494064408	/nfs/dbraw/zinc/06/44/08/494064408.db2.gz	UCTXCEHGVGUESX-PDGQHHTCSA-N	-1	0	355.353	3.280	40	10		FGCBRM
COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(C)(C)C	ZINC000034883078	494068824	/nfs/dbraw/zinc/06/88/24/494068824.db2.gz	WAGAATKELMXRHE-VBKFSLOCSA-N	-1	0	366.417	3.334	40	10		FGCBRM
COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036613178	494092159	/nfs/dbraw/zinc/09/21/59/494092159.db2.gz	SARVXNONKJZWEN-WUXMJOGZSA-N	-1	0	368.436	3.166	40	10		FGCBRM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000016102308	494376878	/nfs/dbraw/zinc/37/68/78/494376878.db2.gz	BIEOQFVSIMNLLE-WJDWOHSUSA-N	-1	0	369.808	3.072	40	10		FGCBRM
CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408872522	570694182	/nfs/dbraw/zinc/69/41/82/570694182.db2.gz	FRYFJPRQVDRBEO-ATVHPVEESA-N	-1	0	366.442	3.305	40	10		FGCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1	ZINC000408890887	570695321	/nfs/dbraw/zinc/69/53/21/570695321.db2.gz	HZAHTDGBNVOOFB-XNTDXEJSSA-N	-1	0	370.792	3.274	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1	ZINC000409145546	570732938	/nfs/dbraw/zinc/73/29/38/570732938.db2.gz	QSYVHCLKHRHWIK-LFIBNONCSA-N	-1	0	366.442	3.143	40	10		FGCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OC	ZINC000409404913	570757993	/nfs/dbraw/zinc/75/79/93/570757993.db2.gz	FIGDTKLKSFHYHB-ZROIWOOFSA-N	-1	0	372.808	3.209	40	10		FGCBRM
CC1=Nc2ccccc2[C@@H]1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O	ZINC000100925020	209218531	/nfs/dbraw/zinc/21/85/31/209218531.db2.gz	DGNJZOUDHYRKGL-YLQKULKDSA-N	-1	0	351.406	3.214	40	10		FGCBRM
O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccoc1	ZINC000409236144	263544585	/nfs/dbraw/zinc/54/45/85/263544585.db2.gz	DLTJOBXIMPPQAT-WUXMJOGZSA-N	-1	0	366.320	3.130	40	10		FGCBRM
CCCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000409237085	263545273	/nfs/dbraw/zinc/54/52/73/263545273.db2.gz	IRAIAASQKVWJSQ-XNTDXEJSSA-N	-1	0	354.362	3.256	40	10		FGCBRM
O=C([O-])CCCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S	ZINC000002700858	493816283	/nfs/dbraw/zinc/81/62/83/493816283.db2.gz	UFOPSUOQAYYCEH-LCYFTJDESA-N	-1	0	373.459	3.143	40	10		FGCBRM
COc1ccc(NC2=NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000013343510	494286607	/nfs/dbraw/zinc/28/66/07/494286607.db2.gz	QOEQVFGKHMDCIG-XNTDXEJSSA-N	-1	0	354.387	3.476	40	10		FGCBRM
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000101527247	495071676	/nfs/dbraw/zinc/07/16/76/495071676.db2.gz	MKGWRGMTPKGTHR-OQLLNIDSSA-N	-1	0	368.305	3.015	40	10		FGCBRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1	ZINC000408786620	499594728	/nfs/dbraw/zinc/59/47/28/499594728.db2.gz	SXLPCQLGZQYHMA-RIYZIHGNSA-N	-1	0	370.792	3.329	40	10		FGCBRM
COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O	ZINC000408810831	499595163	/nfs/dbraw/zinc/59/51/63/499595163.db2.gz	QBIKWEJGLIQPQB-JLHYYAGUSA-N	-1	0	370.792	3.323	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1	ZINC000408799770	499595295	/nfs/dbraw/zinc/59/52/95/499595295.db2.gz	KXGWYUSDXSOYLJ-SFQUDFHCSA-N	-1	0	364.401	3.449	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1Cl	ZINC000408986533	570707953	/nfs/dbraw/zinc/70/79/53/570707953.db2.gz	MROBURGEXCHMDW-JYRVWZFOSA-N	-1	0	356.765	3.020	40	10		FGCBRM
CCc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)[N-]C2=S)cc1	ZINC000409379585	570755554	/nfs/dbraw/zinc/75/55/54/570755554.db2.gz	XYQHHNHRBQNABL-SFQUDFHCSA-N	-1	0	350.443	3.389	40	10		FGCBRM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C(=O)N1	ZINC000104123669	209257713	/nfs/dbraw/zinc/25/77/13/209257713.db2.gz	QKIIJMCRQXHKJH-VXPUYCOJSA-N	-1	0	371.378	3.104	40	10		FGCBRM
CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000003071874	206955525	/nfs/dbraw/zinc/95/55/25/206955525.db2.gz	ZAHJHACRNMXCJV-FNWMBBJUSA-N	-1	0	351.449	3.150	40	10		FGCBRM
NS(=O)(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1	ZINC000013123441	207451993	/nfs/dbraw/zinc/45/19/93/207451993.db2.gz	NBQJKNSAKITVLO-VXPUYCOJSA-N	-1	0	371.374	3.306	40	10	in-vitro	FGCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1	ZINC000408810656	499595281	/nfs/dbraw/zinc/59/52/81/499595281.db2.gz	JJTBKSNGIIZVHX-GHRIWEEISA-N	-1	0	364.401	3.450	40	10		FGCBRM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000408960138	499595533	/nfs/dbraw/zinc/59/55/33/499595533.db2.gz	CGYJPDYGVLWCDM-ZSOIEALJSA-N	-1	0	368.305	3.015	40	10		FGCBRM
CCn1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21	ZINC000409102737	499595708	/nfs/dbraw/zinc/59/57/08/499595708.db2.gz	ZPXCRSGPMLKYEF-NTEUORMPSA-N	-1	0	360.460	3.337	40	10		FGCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)cc1	ZINC000408739925	263494129	/nfs/dbraw/zinc/49/41/29/263494129.db2.gz	GSFXGTGWROHHBW-RVDMUPIBSA-N	-1	0	370.792	3.405	40	10		FGCBRM
COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1C(=O)[O-]	ZINC000033714221	494062927	/nfs/dbraw/zinc/06/29/27/494062927.db2.gz	QTESZONRNLVTAY-GDNBJRDFSA-N	-1	0	354.387	3.476	40	10		FGCBRM
O=C1[N-]C(=O)C(=Cc2c(Cc3ccccc3F)ccc3ccccc32)C(=O)N1	ZINC000408867917	570693865	/nfs/dbraw/zinc/69/38/65/570693865.db2.gz	KQVBJYIBEJBLRY-UHFFFAOYSA-N	-1	0	374.371	3.319	40	10		FGCBRM
CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O	ZINC000408883428	570694721	/nfs/dbraw/zinc/69/47/21/570694721.db2.gz	UNRRSFJSRBQGRV-SSZFMOIBSA-N	-1	0	364.401	3.314	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	ZINC000409393165	570756433	/nfs/dbraw/zinc/75/64/33/570756433.db2.gz	PJCFIGOSOMZGSA-FOWTUZBSSA-N	-1	0	359.341	3.008	40	10		FGCBRM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1Cl	ZINC000209578866	571310114	/nfs/dbraw/zinc/31/01/14/571310114.db2.gz	HPLVTXAMPPNFEI-LCYFTJDESA-N	-1	0	370.792	3.323	40	10		FGCBRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3sccc3C)C2=O)c1	ZINC000408999390	263515822	/nfs/dbraw/zinc/51/58/22/263515822.db2.gz	KTCKHXOIXUONOU-GXDHUFHOSA-N	-1	0	356.403	3.122	40	10		FGCBRM
O=C1[N-]C(=O)C(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1	ZINC000408799875	499595139	/nfs/dbraw/zinc/59/51/39/499595139.db2.gz	IWSKYNWUPYBFEF-UHFFFAOYSA-N	-1	0	372.380	3.168	40	10		FGCBRM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O	ZINC000038162840	535658743	/nfs/dbraw/zinc/65/87/43/535658743.db2.gz	TZFZJRATRMFFRR-UVTDQMKNSA-N	-1	0	368.414	3.463	40	10		FGCBRM
Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc(F)c1	ZINC000409131944	570729380	/nfs/dbraw/zinc/72/93/80/570729380.db2.gz	ZFOPUSFWYIBUTK-VIZOYTHASA-N	-1	0	374.393	3.354	40	10		FGCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016607867	211165188	/nfs/dbraw/zinc/16/51/88/211165188.db2.gz	SWUNBHFXWVDCPI-HNNXBMFYSA-N	-1	0	372.362	3.386	40	10		FGCBRM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000005371232	493927310	/nfs/dbraw/zinc/92/73/10/493927310.db2.gz	BKVBUWDYAXIFQC-OEMOTLHWSA-N	-1	0	351.449	3.093	40	10		FGCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C	ZINC000408781214	499594704	/nfs/dbraw/zinc/59/47/04/499594704.db2.gz	BJTSSADCZLRXKM-LICLKQGHSA-N	-1	0	367.474	3.090	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000408797048	499594724	/nfs/dbraw/zinc/59/47/24/499594724.db2.gz	FNWJVEPIAMKOIH-SDNWHVSQSA-N	-1	0	370.792	3.405	40	10		FGCBRM
Cc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)c1	ZINC000408915135	499595057	/nfs/dbraw/zinc/59/50/57/499595057.db2.gz	VFQHCUXSBHJRGA-LICLKQGHSA-N	-1	0	352.365	3.417	40	10		FGCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1C	ZINC000409220585	570742221	/nfs/dbraw/zinc/74/22/21/570742221.db2.gz	BUDVJIZIHSTZTI-NTEUORMPSA-N	-1	0	371.824	3.270	40	10		FGCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100988542	222258935	/nfs/dbraw/zinc/25/89/35/222258935.db2.gz	SWUNBHFXWVDCPI-OAHLLOKOSA-N	-1	0	372.362	3.386	40	10		FGCBRM
NS(=O)(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1	ZINC000003954397	493861351	/nfs/dbraw/zinc/86/13/51/493861351.db2.gz	NBQJKNSAKITVLO-FMQUCBEESA-N	-1	0	371.374	3.306	40	10	in-vitro	FGCBRM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1	ZINC000005373359	493926997	/nfs/dbraw/zinc/92/69/97/493926997.db2.gz	YHQGKKZNBAMSGL-ZROIWOOFSA-N	-1	0	357.412	3.496	40	10		FGCBRM
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000006963807	493990123	/nfs/dbraw/zinc/99/01/23/493990123.db2.gz	XDGIZZLYEJCGSK-IZZDOVSWSA-N	-1	0	357.840	3.025	40	10		FGCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000113832665	495331543	/nfs/dbraw/zinc/33/15/43/495331543.db2.gz	IFJCMGOWUHGYTO-QGOAFFKASA-N	-1	0	364.401	3.450	40	10		FGCBRM
CCOc1cc(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC	ZINC000107591888	495529353	/nfs/dbraw/zinc/52/93/53/495529353.db2.gz	IQROREJVGOXBCX-ATVHPVEESA-N	-1	0	366.417	3.254	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1	ZINC000408801362	499595180	/nfs/dbraw/zinc/59/51/80/499595180.db2.gz	AEUIDOWBMRHUMM-GXDHUFHOSA-N	-1	0	370.792	3.323	40	10		FGCBRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(CC)c2C)C1=O	ZINC000409072854	499595681	/nfs/dbraw/zinc/59/56/81/499595681.db2.gz	DYPFNFMNOIWTBM-SFQUDFHCSA-N	-1	0	365.433	3.354	40	10		FGCBRM
COc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)[N-]C2=S)c(OC)c1	ZINC000000868439	536656452	/nfs/dbraw/zinc/65/64/52/536656452.db2.gz	ASAOFYDUIVILKP-MDWZMJQESA-N	-1	0	372.402	3.277	40	10		FGCBRM
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1O	ZINC000408936676	570701135	/nfs/dbraw/zinc/70/11/35/570701135.db2.gz	HDMKPZLXWPKGEN-RIYZIHGNSA-N	-1	0	370.792	3.496	40	10		FGCBRM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(CC)c3C)C2=O)cc1	ZINC000409074656	570718864	/nfs/dbraw/zinc/71/88/64/570718864.db2.gz	UJVUNZQKCWMXAN-LDADJPATSA-N	-1	0	365.433	3.354	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccco1	ZINC000409207976	570739243	/nfs/dbraw/zinc/73/92/43/570739243.db2.gz	AEGPSZGVNJQLKR-JXMROGBWSA-N	-1	0	351.145	3.253	40	10		FGCBRM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)c1	ZINC000409243790	570746233	/nfs/dbraw/zinc/74/62/33/570746233.db2.gz	UHOSGFACLCMZBE-LFIBNONCSA-N	-1	0	366.442	3.143	40	10		FGCBRM
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000034772759	210248149	/nfs/dbraw/zinc/24/81/49/210248149.db2.gz	MDIJJHPJRWQYGV-ATVHPVEESA-N	-1	0	363.369	3.262	40	10		FGCBRM
Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)[C@H](C)CC(C)(C)N2C(C)C	ZINC000223598566	132279520	/nfs/dbraw/zinc/27/95/20/132279520.db2.gz	MIBPKEIQJJDUND-CYBMUJFWSA-N	-1	0	369.465	3.245	40	10		FGCBRM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccccc1Br	ZINC000408816515	263498425	/nfs/dbraw/zinc/49/84/25/263498425.db2.gz	UALZKUDXRUGUQC-JYRVWZFOSA-N	-1	0	360.211	3.037	40	10		FGCBRM
NS(=O)(=O)c1ccc(NN=C2C=c3ccccc3=C(C(=O)[O-])C2=O)cc1	ZINC000003954398	493861027	/nfs/dbraw/zinc/86/10/27/493861027.db2.gz	ROSNSSVBDFGLGW-FMQUCBEESA-N	-1	0	371.374	3.306	40	10	in-vitro	FGCBRM
COc1cccc(NC2=NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3[O-])S2)c1	ZINC000033326768	494058899	/nfs/dbraw/zinc/05/88/99/494058899.db2.gz	ODBFWDNWDHNEBT-OVCLIPMQSA-N	-1	0	371.374	3.391	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000408786717	499594907	/nfs/dbraw/zinc/59/49/07/499594907.db2.gz	VBAUJKKBROHSRQ-GXDHUFHOSA-N	-1	0	370.792	3.405	40	10		FGCBRM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cccc(Br)c1	ZINC000408812438	499595291	/nfs/dbraw/zinc/59/52/91/499595291.db2.gz	ORYICWNLSKEKAM-AUWJEWJLSA-N	-1	0	360.211	3.037	40	10		FGCBRM
C[C@H]1Cc2cc(/C=C3\C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)ccc2O1	ZINC000588228538	506243009	/nfs/dbraw/zinc/24/30/09/506243009.db2.gz	LOHFBMADEYULMM-CEITULEQSA-N	-1	0	372.783	3.264	40	10		FGCBRM
Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	ZINC000408968196	570705042	/nfs/dbraw/zinc/70/50/42/570705042.db2.gz	XECGIBPUKGUVQX-YRNVUSSQSA-N	-1	0	364.785	3.212	40	10		FGCBRM
COc1ccc(N2N=C(C)C(=CNc3cc(C(=O)[O-])ccc3C)C2=O)cc1	ZINC000016347097	211158552	/nfs/dbraw/zinc/15/85/52/211158552.db2.gz	HOAAOTOTJFEABT-BOPFTXTBSA-N	-1	0	365.389	3.420	40	10		FGCBRM
CCCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000409239882	263545732	/nfs/dbraw/zinc/54/57/32/263545732.db2.gz	RJKZTPHVTSIGPP-XNTDXEJSSA-N	-1	0	354.362	3.256	40	10		FGCBRM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1	ZINC000004854409	493896685	/nfs/dbraw/zinc/89/66/85/493896685.db2.gz	JGFJRCLVHKIQML-UHFFFAOYSA-N	-1	0	361.697	3.098	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000408809027	499595177	/nfs/dbraw/zinc/59/51/77/499595177.db2.gz	HBNUVAPFVHYIAR-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000408814248	499595237	/nfs/dbraw/zinc/59/52/37/499595237.db2.gz	OOFKNMDEUFINCF-QGOAFFKASA-N	-1	0	364.401	3.450	40	10		FGCBRM
CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1	ZINC000408940768	570701518	/nfs/dbraw/zinc/70/15/18/570701518.db2.gz	VAYFJMDEIXNYBX-AQTBWJFISA-N	-1	0	364.401	3.450	40	10		FGCBRM
COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(C2CCCC2)C1=O	ZINC000409206449	570739314	/nfs/dbraw/zinc/73/93/14/570739314.db2.gz	JTQSBRMJBGBZAP-ATVHPVEESA-N	-1	0	364.401	3.253	40	10		FGCBRM
CC[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC	ZINC000409410094	570757110	/nfs/dbraw/zinc/75/71/10/570757110.db2.gz	YVADJXIDFGBAFH-MTOJCTJASA-N	-1	0	366.417	3.334	40	10		FGCBRM
Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1	ZINC000104230875	222352338	/nfs/dbraw/zinc/35/23/38/222352338.db2.gz	OXFDNFJVBHIBOG-RAJOGRCSSA-N	-1	0	351.322	3.106	40	10		FGCBRM
COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000028911983	493807313	/nfs/dbraw/zinc/80/73/13/493807313.db2.gz	NFEPTXYFVMKGQJ-ZROIWOOFSA-N	-1	0	371.374	3.391	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1	ZINC000005774261	493942348	/nfs/dbraw/zinc/94/23/48/493942348.db2.gz	LJPPZBAZUPSFBX-UVTDQMKNSA-N	-1	0	360.291	3.372	40	10		FGCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)o1	ZINC000006325599	493959409	/nfs/dbraw/zinc/95/94/09/493959409.db2.gz	QJHHWQCLLNMBPC-NTCAYCPXSA-N	-1	0	367.405	3.101	40	10		FGCBRM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000408807768	499595148	/nfs/dbraw/zinc/59/51/48/499595148.db2.gz	KYLQBHNNZITBHH-XNTDXEJSSA-N	-1	0	370.792	3.405	40	10		FGCBRM
CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)c1	ZINC000408877171	570694797	/nfs/dbraw/zinc/69/47/97/570694797.db2.gz	SQQXLISFMHZWCG-LGMDPLHJSA-N	-1	0	364.401	3.314	40	10		FGCBRM
O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1	ZINC000409236277	570742645	/nfs/dbraw/zinc/74/26/45/570742645.db2.gz	GAPISNCEZKWPDF-XYOKQWHBSA-N	-1	0	366.320	3.130	40	10		FGCBRM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2sccc2C)C1=O	ZINC000409242600	570746208	/nfs/dbraw/zinc/74/62/08/570746208.db2.gz	OXVGNYJIUAEJMY-ZRDIBKRKSA-N	-1	0	356.403	3.122	40	10		FGCBRM
O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000018153246	211192563	/nfs/dbraw/zinc/19/25/63/211192563.db2.gz	QSBBSKSGACMGTB-FMQUCBEESA-N	-1	0	355.379	3.398	40	10		FGCBRM
CC(=O)c1ccc(N2N=C(C)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000005954275	493946503	/nfs/dbraw/zinc/94/65/03/493946503.db2.gz	MKZPKPKIYVLTPO-SXGWCWSVSA-N	-1	0	365.345	3.309	40	10		FGCBRM
CCN(CC)c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])c(OC)c1	ZINC000007365683	494018958	/nfs/dbraw/zinc/01/89/58/494018958.db2.gz	GBPFGLCJBLHQPT-DHDCSXOGSA-N	-1	0	363.439	3.451	40	10		FGCBRM
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000408994808	499595543	/nfs/dbraw/zinc/59/55/43/499595543.db2.gz	JKCONQREJJZXII-ZSOIEALJSA-N	-1	0	358.444	3.281	40	10		FGCBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1	ZINC000408883017	570695282	/nfs/dbraw/zinc/69/52/82/570695282.db2.gz	PZDQPJKUWGRYEK-DHDCSXOGSA-N	-1	0	372.833	3.180	40	10		FGCBRM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(C)C	ZINC000409407530	570758191	/nfs/dbraw/zinc/75/81/91/570758191.db2.gz	MLTVRDQEAYXZFB-ATVHPVEESA-N	-1	0	366.417	3.334	40	10		FGCBRM
O=C([O-])COc1ccccc1C=C1SC(Nc2ccccc2)=NC1=O	ZINC000033491447	494059778	/nfs/dbraw/zinc/05/97/78/494059778.db2.gz	SGIWHJVMGCHTBD-GDNBJRDFSA-N	-1	0	354.387	3.232	40	10		FGCBRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1C	ZINC000408785426	499594904	/nfs/dbraw/zinc/59/49/04/499594904.db2.gz	YVSQZWBQUCYKNW-MDWZMJQESA-N	-1	0	370.792	3.329	40	10		FGCBRM
CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O	ZINC000408913133	499595191	/nfs/dbraw/zinc/59/51/91/499595191.db2.gz	KZSACCLUKNBEMA-MHWRWJLKSA-N	-1	0	368.364	3.279	40	10		FGCBRM
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccco1	ZINC000409103859	499595766	/nfs/dbraw/zinc/59/57/66/499595766.db2.gz	XENJPPZURKFKSE-VQHVLOKHSA-N	-1	0	351.145	3.253	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1	ZINC000408866403	570693946	/nfs/dbraw/zinc/69/39/46/570693946.db2.gz	FOPPKHCPLWTTTA-LFIBNONCSA-N	-1	0	370.792	3.405	40	10		FGCBRM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1	ZINC000408883061	570695337	/nfs/dbraw/zinc/69/53/37/570695337.db2.gz	SWUXVMFVLRGCHV-OQLLNIDSSA-N	-1	0	356.765	3.015	40	10		FGCBRM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1C	ZINC000409236958	570743068	/nfs/dbraw/zinc/74/30/68/570743068.db2.gz	INDNXJDEIZZMMT-UKTHLTGXSA-N	-1	0	373.865	3.127	40	10		FGCBRM
CCCN1C(=O)/C(=C\c2cc(OCC)c([O-])c([N+](=O)[O-])c2)SC1=S	ZINC000409338343	570751570	/nfs/dbraw/zinc/75/15/70/570751570.db2.gz	IEEHDVZLBSHUAK-XYOKQWHBSA-N	-1	0	368.436	3.310	40	10		FGCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000005247656	493921511	/nfs/dbraw/zinc/92/15/11/493921511.db2.gz	JEVQATLVQFDDMI-WJDWOHSUSA-N	-1	0	370.792	3.405	40	10		FGCBRM
CCc1nc(SC(=Cc2ccc(N3CCCC3)c(C)c2)C(=O)[O-])n[nH]1	ZINC000007342619	494016844	/nfs/dbraw/zinc/01/68/44/494016844.db2.gz	YTEZPEWLZGQERW-RVDMUPIBSA-N	-1	0	358.467	3.494	40	10		FGCBRM
CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000409350673	570752399	/nfs/dbraw/zinc/75/23/99/570752399.db2.gz	YSIGFMZNGFNFAO-GARZTLJTSA-N	-1	0	351.449	3.150	40	10		FGCBRM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1coc2ccccc2c1=O	ZINC000013564903	220075380	/nfs/dbraw/zinc/07/53/80/220075380.db2.gz	PROBHLUWQMBRQT-YVLHZVERSA-N	-1	0	374.352	3.297	40	10		FGCBRM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1	ZINC000004976929	493904990	/nfs/dbraw/zinc/90/49/90/493904990.db2.gz	WQFOKEUAYINDNF-UHFFFAOYSA-N	-1	0	363.178	3.408	40	10		FGCBRM
CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000005371238	493926777	/nfs/dbraw/zinc/92/67/77/493926777.db2.gz	WYXOHLNKVHUPIV-FNWMBBJUSA-N	-1	0	351.449	3.237	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)cc1Cl	ZINC000108247201	494668377	/nfs/dbraw/zinc/66/83/77/494668377.db2.gz	JHXSUBRNAJEGAF-JYRVWZFOSA-N	-1	0	358.756	3.454	40	10		FGCBRM
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000408812743	499595089	/nfs/dbraw/zinc/59/50/89/499595089.db2.gz	MIYMVGBSLYOGFF-SFQUDFHCSA-N	-1	0	350.374	3.140	40	10		FGCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c(C)c1	ZINC000408886973	570695371	/nfs/dbraw/zinc/69/53/71/570695371.db2.gz	NEIHKQJEXDQCOY-NTEUORMPSA-N	-1	0	370.792	3.329	40	10		FGCBRM
Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000408998175	570710164	/nfs/dbraw/zinc/71/01/64/570710164.db2.gz	TWNKAVSZAOQROH-UHFFFAOYSA-N	-1	0	365.433	3.141	40	10		FGCBRM
O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	ZINC000004623616	493884274	/nfs/dbraw/zinc/88/42/74/493884274.db2.gz	JXLVSBCVKUJJGM-AUSJPIAWSA-N	-1	0	363.417	3.113	40	10		FGCBRM
C[C@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)ccc2O1	ZINC000005881425	493945566	/nfs/dbraw/zinc/94/55/66/493945566.db2.gz	QYMOUTRWFZLVKJ-RCEBRVLHSA-N	-1	0	354.793	3.125	40	10		FGCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000408811611	499595107	/nfs/dbraw/zinc/59/51/07/499595107.db2.gz	VXFIADCLNDBZMR-XNTDXEJSSA-N	-1	0	370.792	3.323	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000408963918	570704250	/nfs/dbraw/zinc/70/42/50/570704250.db2.gz	AQOPFYDWKACSLL-VQHVLOKHSA-N	-1	0	350.758	3.207	40	10		FGCBRM
CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000005371236	493926716	/nfs/dbraw/zinc/92/67/16/493926716.db2.gz	WYXOHLNKVHUPIV-VWLVURMCSA-N	-1	0	351.449	3.237	40	10		FGCBRM
O=C([O-])[C@H]1c2cc(O)c(O)cc2C(=O)O[C@@H]1c1ccc(Cl)cc1Cl	ZINC000033414015	494060311	/nfs/dbraw/zinc/06/03/11/494060311.db2.gz	QWRLTPGZLBALJA-UONOGXRCSA-N	-1	0	369.156	3.485	40	10		FGCBRM
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000008550924	494095987	/nfs/dbraw/zinc/09/59/87/494095987.db2.gz	WWCYJSJTACYDKW-ZROIWOOFSA-N	-1	0	358.444	3.341	40	10		FGCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1	ZINC000408869249	570694226	/nfs/dbraw/zinc/69/42/26/570694226.db2.gz	QBTOCONXXKMSIF-OQLLNIDSSA-N	-1	0	356.765	3.015	40	10		FGCBRM
COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1[O-]	ZINC000408901645	570695934	/nfs/dbraw/zinc/69/59/34/570695934.db2.gz	GYKKERSLBVWANT-OQLLNIDSSA-N	-1	0	353.334	3.115	40	10		FGCBRM
Cc1ccc(N2[N-]C(=O)/C(=C\C=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C	ZINC000000779700	219320856	/nfs/dbraw/zinc/32/08/56/219320856.db2.gz	ZVPZZPNUJOTKPN-MTEHDHEFSA-N	-1	0	363.373	3.229	40	10		FGCBRM
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S	ZINC000005373542	493926937	/nfs/dbraw/zinc/92/69/37/493926937.db2.gz	XEJGPWJVWNQYOX-OIQXIXSWSA-N	-1	0	365.476	3.396	40	10		FGCBRM
CCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)SC1=S	ZINC000006387043	493962042	/nfs/dbraw/zinc/96/20/42/493962042.db2.gz	NILUGBMBLZFVAG-UVTDQMKNSA-N	-1	0	358.444	3.397	40	10		FGCBRM
O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1	ZINC000408529975	499591448	/nfs/dbraw/zinc/59/14/48/499591448.db2.gz	JVJWYLVTVWLTSE-DHDCSXOGSA-N	-1	0	371.439	3.453	40	10		FGCBRM
COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000408759388	499594896	/nfs/dbraw/zinc/59/48/96/499594896.db2.gz	DFDMVGSWTKLHHQ-GDNBJRDFSA-N	-1	0	372.833	3.180	40	10		FGCBRM
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000408995495	499595471	/nfs/dbraw/zinc/59/54/71/499595471.db2.gz	AOPASUTXEABQIZ-ZSOIEALJSA-N	-1	0	358.444	3.281	40	10		FGCBRM
CCCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1	ZINC000408994404	499595552	/nfs/dbraw/zinc/59/55/52/499595552.db2.gz	ZLXFSFMCNKZYFD-GHRIWEEISA-N	-1	0	366.442	3.307	40	10		FGCBRM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1	ZINC000408984264	570708083	/nfs/dbraw/zinc/70/80/83/570708083.db2.gz	ILUVGNOZUFELIK-AQTBWJFISA-N	-1	0	364.401	3.314	40	10		FGCBRM
Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c1C	ZINC000409132796	570729423	/nfs/dbraw/zinc/72/94/23/570729423.db2.gz	KCCDVBOMBIGGNN-YKVSOSGNSA-N	-1	0	352.415	3.284	40	10		FGCBRM
CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000409250095	570745901	/nfs/dbraw/zinc/74/59/01/570745901.db2.gz	WADWFYJBRXZQIE-NTEUORMPSA-N	-1	0	373.865	3.301	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CO	ZINC000100962823	132233495	/nfs/dbraw/zinc/23/34/95/132233495.db2.gz	KLCVFIVKKSFTLK-BOPFTXTBSA-N	-1	0	366.417	3.179	40	10		FGCBRM
CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)SC1=S	ZINC000033806899	494063494	/nfs/dbraw/zinc/06/34/94/494063494.db2.gz	OHZUDMPOVAUIEP-UVTDQMKNSA-N	-1	0	358.444	3.397	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000408776915	499594963	/nfs/dbraw/zinc/59/49/63/499594963.db2.gz	SAFZQJLNXHJXDA-LDADJPATSA-N	-1	0	364.401	3.369	40	10		FGCBRM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1	ZINC000408874237	570694353	/nfs/dbraw/zinc/69/43/53/570694353.db2.gz	AJLIOBCJLRZDJP-SFQUDFHCSA-N	-1	0	364.401	3.369	40	10		FGCBRM
O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000104124441	222350366	/nfs/dbraw/zinc/35/03/66/222350366.db2.gz	QSBBSKSGACMGTB-VXPUYCOJSA-N	-1	0	355.379	3.398	40	10		FGCBRM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000006479383	263344966	/nfs/dbraw/zinc/34/49/66/263344966.db2.gz	WUYVQUAAYVVORN-GXDHUFHOSA-N	-1	0	370.792	3.323	40	10		FGCBRM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	ZINC000059106203	493902572	/nfs/dbraw/zinc/90/25/72/493902572.db2.gz	BAFNHVPHWRIXQV-NTEUORMPSA-N	-1	0	355.281	3.241	40	10		FGCBRM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1C	ZINC000409103179	499595721	/nfs/dbraw/zinc/59/57/21/499595721.db2.gz	XGWHORMBNSUWQF-GZTJUZNOSA-N	-1	0	367.474	3.265	40	10		FGCBRM
COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1	ZINC000408872800	570694171	/nfs/dbraw/zinc/69/41/71/570694171.db2.gz	IYXOSNJZCOCKRM-CXUHLZMHSA-N	-1	0	370.792	3.323	40	10		FGCBRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2O)C1=O	ZINC000408893761	570695064	/nfs/dbraw/zinc/69/50/64/570695064.db2.gz	HJHNEFUGCDFWOB-UKTHLTGXSA-N	-1	0	356.765	3.020	40	10		FGCBRM
Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccccc1	ZINC000409330988	570750316	/nfs/dbraw/zinc/75/03/16/570750316.db2.gz	DAHBKKWWTOIMPQ-HJWRWDBZSA-N	-1	0	352.350	3.374	40	10		FGCBRM
CCN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	ZINC000001085290	132380067	/nfs/dbraw/zinc/38/00/67/132380067.db2.gz	HZSNRTFTOUUFRA-QGOAFFKASA-N	-1	0	363.417	3.118	40	10		FGCBRM
O=C(NC1=NC(=O)/C(=C/c2ccc([O-])c(Cl)c2)S1)c1ccccc1	ZINC000409147711	263534196	/nfs/dbraw/zinc/53/41/96/263534196.db2.gz	NLRPRHAEEJWQQF-ZROIWOOFSA-N	-1	0	358.806	3.446	40	10		FGCBRM
CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S	ZINC000005373607	493926828	/nfs/dbraw/zinc/92/68/28/493926828.db2.gz	SCAGRUNJHCHNBC-NEQSRXPGSA-N	-1	0	365.476	3.396	40	10		FGCBRM
COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1	ZINC000408884329	570694851	/nfs/dbraw/zinc/69/48/51/570694851.db2.gz	TVCAJENFDUVWOF-JYRVWZFOSA-N	-1	0	374.755	3.154	40	10		FGCBRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)n1	ZINC000018324019	220231382	/nfs/dbraw/zinc/23/13/82/220231382.db2.gz	TYXHQWIUGPWYLC-QZQOTICOSA-N	-1	0	370.394	3.102	40	10		FGCBRM
Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C	ZINC000223598505	132279681	/nfs/dbraw/zinc/27/96/81/132279681.db2.gz	MIBPKEIQJJDUND-ZDUSSCGKSA-N	-1	0	369.465	3.245	40	10		FGCBRM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000001233260	132381243	/nfs/dbraw/zinc/38/12/43/132381243.db2.gz	MYRKLVZIUAHQBN-NBVRZTHBSA-N	-1	0	363.417	3.199	40	10		FGCBRM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1	ZINC000012032579	494200363	/nfs/dbraw/zinc/20/03/63/494200363.db2.gz	WYYHOPRRRYYUIF-ZSOIEALJSA-N	-1	0	357.412	3.496	40	10		FGCBRM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1	ZINC000408819049	499595255	/nfs/dbraw/zinc/59/52/55/499595255.db2.gz	XWICFGSQMRFDPD-SFQUDFHCSA-N	-1	0	350.374	3.060	40	10		FGCBRM
Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O	ZINC000408882684	570695354	/nfs/dbraw/zinc/69/53/54/570695354.db2.gz	QEQYJMDKWNMNCL-RIYZIHGNSA-N	-1	0	356.765	3.020	40	10		FGCBRM
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)cc1Cl	ZINC000409237035	570743029	/nfs/dbraw/zinc/74/30/29/570743029.db2.gz	VAZIUCAOELUDPR-RIYZIHGNSA-N	-1	0	372.833	3.185	40	10		FGCBRM