smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-]	ZINC000008382357	290711530	/nfs/dbraw/zinc/71/15/30/290711530.db2.gz	FZBKGLHFXHUARI-OLKZWCRVSA-N	-1	0	456.711	7.688	40	0	biogenic,in-vitro	JKABRM
C[C@@H](CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-]	ZINC000008382358	290711550	/nfs/dbraw/zinc/71/15/50/290711550.db2.gz	FZBKGLHFXHUARI-SUFYPPGVSA-N	-1	0	456.711	7.688	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	ZINC000257473502	291547639	/nfs/dbraw/zinc/54/76/39/291547639.db2.gz	LJORXTIGOHMBOS-OAGUGKSDSA-N	-1	0	486.693	5.383	40	0	biogenic,in-vitro	JKABRM
CC[C@@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c12	ZINC000014718755	291583889	/nfs/dbraw/zinc/58/38/89/291583889.db2.gz	UTENTZJIWUVVPY-KRVUPIIZSA-N	-1	0	498.616	6.682	40	0	biogenic,in-vitro	JKABRM
CC[C@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c([C@H](CC)OC(C)=O)cc(=O)oc12	ZINC000014718758	291583900	/nfs/dbraw/zinc/58/39/00/291583900.db2.gz	UTENTZJIWUVVPY-HTIMNMIVSA-N	-1	0	498.616	6.682	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O	ZINC000031440820	291594086	/nfs/dbraw/zinc/59/40/86/291594086.db2.gz	ZZTYPLSBNNGEIS-XXFBQJKYSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vitro	JKABRM
O=C(Nc1ccccc1Cl)c1ccc(OC(=S)[N-]c2ccc(Br)cc2)cc1	ZINC000001429138	194119518	/nfs/dbraw/zinc/11/95/18/194119518.db2.gz	SBIXZFQVTKLHKX-UHFFFAOYSA-N	-1	0	461.768	6.131	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(Cl)cc1	ZINC000004199837	194384279	/nfs/dbraw/zinc/38/42/79/194384279.db2.gz	WREFFVGYBCSQGV-BODMPHMZSA-N	-1	0	461.967	5.239	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000004273445	194386755	/nfs/dbraw/zinc/38/67/55/194386755.db2.gz	MDZKJHQSJHYOHJ-JZPFIWAXSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C	ZINC000004273372	194386800	/nfs/dbraw/zinc/38/68/00/194386800.db2.gz	WCGUUGGRBIKTOS-WZIMWFCYSA-N	-1	0	456.711	7.090	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1	ZINC000020766125	195221285	/nfs/dbraw/zinc/22/12/85/195221285.db2.gz	OEABEUMBIATABQ-UHFFFAOYSA-N	-1	0	470.978	5.051	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1	ZINC000020767251	195222813	/nfs/dbraw/zinc/22/28/13/195222813.db2.gz	QFPPKRXCFHZBNC-UHFFFAOYSA-N	-1	0	491.396	5.396	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000059417541	195399672	/nfs/dbraw/zinc/39/96/72/195399672.db2.gz	DGTDKCPQPKYMQS-UHFFFAOYSA-N	-1	0	454.960	6.193	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000106721085	195460303	/nfs/dbraw/zinc/46/03/03/195460303.db2.gz	SEQHVFAFPWWHTR-JMIUGGIZSA-N	-1	0	488.348	6.497	40	0		JKABRM
COc1ccc(COc2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])cc2)cc1	ZINC000408634150	195479067	/nfs/dbraw/zinc/47/90/67/195479067.db2.gz	PREWFTAJNMTQSZ-HMAPJEAMSA-N	-1	0	494.956	6.195	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1cccc2ccccc21)Sc1nc2ccccc2o1	ZINC000408634155	195479189	/nfs/dbraw/zinc/47/91/89/195479189.db2.gz	PTIOMOZRQCTQME-XYGWBWBKSA-N	-1	0	453.519	6.778	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])c2ccccc12	ZINC000408634206	195479477	/nfs/dbraw/zinc/47/94/77/195479477.db2.gz	SAWBHAQGPORPNJ-XKZIYDEJSA-N	-1	0	478.526	5.524	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OCC	ZINC000408634322	195479927	/nfs/dbraw/zinc/47/99/27/195479927.db2.gz	UKADAURZUOYYMV-ODLFYWEKSA-N	-1	0	476.938	5.414	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])ccc1OC	ZINC000408634789	195481866	/nfs/dbraw/zinc/48/18/66/195481866.db2.gz	UPIGRRPEYIISEA-UYRXBGFRSA-N	-1	0	459.955	5.244	40	0		JKABRM
O=C(Nc1cccc(Cl)c1)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21	ZINC000102968380	130433220	/nfs/dbraw/zinc/43/32/20/130433220.db2.gz	WWCNKUDKBYRCCD-ZEQKJWHPSA-N	-1	0	483.907	5.412	40	0		JKABRM
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)C)cc1	ZINC000020293971	521767661	/nfs/dbraw/zinc/76/76/61/521767661.db2.gz	CTEHAJJGIQWSPZ-BWPNAZKDSA-N	-1	0	455.576	5.319	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000020454957	521777174	/nfs/dbraw/zinc/77/71/74/521777174.db2.gz	GHVNLQONPCYNPE-UHFFFAOYSA-N	-1	0	461.008	5.814	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(C)cc1	ZINC000020452886	522786234	/nfs/dbraw/zinc/78/62/34/522786234.db2.gz	MNUWKRWFVSIBOY-JOCHJYFZSA-N	-1	0	471.022	5.947	40	0		JKABRM
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000044900170	523081658	/nfs/dbraw/zinc/08/16/58/523081658.db2.gz	BZKXWYIPGGVCQD-HXUWFJFHSA-N	-1	0	491.038	5.057	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c1	ZINC000020492670	524161842	/nfs/dbraw/zinc/16/18/42/524161842.db2.gz	ZNKZXKDMYYHZMI-UHFFFAOYSA-N	-1	0	487.021	5.475	40	0		JKABRM
COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000020452507	525144174	/nfs/dbraw/zinc/14/41/74/525144174.db2.gz	DJWWOTSKJFQKAI-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c(C)c1	ZINC000020489712	525296426	/nfs/dbraw/zinc/29/64/26/525296426.db2.gz	OUTYWFJWJRUVBW-UHFFFAOYSA-N	-1	0	487.021	5.475	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)cc1C	ZINC000020456144	525297025	/nfs/dbraw/zinc/29/70/25/525297025.db2.gz	POTNSEDBERTUOY-DEOSSOPVSA-N	-1	0	485.049	6.275	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000044840778	525715209	/nfs/dbraw/zinc/71/52/09/525715209.db2.gz	QLILZEPNOCUCOS-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000022528165	525715778	/nfs/dbraw/zinc/71/57/78/525715778.db2.gz	OIRKACYUUUWUHU-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000020460006	525716104	/nfs/dbraw/zinc/71/61/04/525716104.db2.gz	XTQBPYZUVWHIDK-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc([C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	ZINC000020456648	525772106	/nfs/dbraw/zinc/77/21/06/525772106.db2.gz	VYGKCSQFVJLXBT-MHZLTWQESA-N	-1	0	470.594	5.624	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000044840782	525909537	/nfs/dbraw/zinc/90/95/37/525909537.db2.gz	QLILZEPNOCUCOS-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
O=C([O-])c1cc(Cl)cc2c1N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21	ZINC000033821672	526345660	/nfs/dbraw/zinc/34/56/60/526345660.db2.gz	RDFIXTNXKOUBJW-RTYOBAMCSA-N	-1	0	489.843	7.372	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1	ZINC000022716477	526369950	/nfs/dbraw/zinc/36/99/50/526369950.db2.gz	SQILLVIULMJYLG-UHFFFAOYSA-N	-1	0	479.739	5.188	40	0		JKABRM
CCOc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21	ZINC000102915460	535518294	/nfs/dbraw/zinc/51/82/94/535518294.db2.gz	OJOOTGVNBJKFNB-NAKRPHOHSA-N	-1	0	493.515	5.157	40	0		JKABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)n1	ZINC000000853364	553799140	/nfs/dbraw/zinc/79/91/40/553799140.db2.gz	XNOOUIUXOXPVHG-UHFFFAOYSA-N	-1	0	471.995	5.415	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)[C@@H](O)C[C@@]43C)[C@H]2C1	ZINC000248338812	574420953	/nfs/dbraw/zinc/42/09/53/574420953.db2.gz	RWNHLTKFBKYDOJ-MFDHCNMKSA-N	-1	0	488.709	5.177	40	0	endogenous,in-man	JKABRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)c1C	ZINC000000938869	553875794	/nfs/dbraw/zinc/87/57/94/553875794.db2.gz	DIISQSNIJVOMEL-IBGZPJMESA-N	-1	0	491.569	5.165	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-]	ZINC000252516951	574421120	/nfs/dbraw/zinc/42/11/20/574421120.db2.gz	YJBVHJIKNLBFDX-HDPKCKTCSA-N	-1	0	498.748	7.660	40	0	endogenous,in-man	JKABRM
CCCc1c2c(c(CCC)c(-c3cccc4ccccc43)c1C(=O)[O-])-c1cccc3cccc-2c13	ZINC000001573442	553978861	/nfs/dbraw/zinc/97/88/61/553978861.db2.gz	HZFBTUAYDXEOHE-UHFFFAOYSA-N	-1	0	456.585	8.911	40	0		JKABRM
O=C([O-])CCC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21	ZINC000001692014	553982972	/nfs/dbraw/zinc/98/29/72/553982972.db2.gz	FXBIAWNQOGMOSK-UHFFFAOYSA-N	-1	0	451.526	5.827	40	0		JKABRM
O=C([O-])[C@@H](CSC(c1ccccc1)c1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000001873065	553999921	/nfs/dbraw/zinc/99/99/21/553999921.db2.gz	DZJZSHMUZUXFOB-AREMUKBSSA-N	-1	0	481.617	5.911	40	0		JKABRM
CCOc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000002377891	554174382	/nfs/dbraw/zinc/17/43/82/554174382.db2.gz	LMVBGQWMUPPPGU-WTNLLYQRSA-N	-1	0	490.559	5.458	40	0		JKABRM
CC(C)(C)OC(=O)Nc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000002385674	554177586	/nfs/dbraw/zinc/17/75/86/554177586.db2.gz	WYLWBBYGCWMWES-DEOSSOPVSA-N	-1	0	488.540	5.698	40	0		JKABRM
CC(C)(C)c1ccc(C[C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000002506651	554230638	/nfs/dbraw/zinc/23/06/38/554230638.db2.gz	HMXGIEACFDMWQS-NRFANRHFSA-N	-1	0	457.570	5.909	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746190	554324036	/nfs/dbraw/zinc/32/40/36/554324036.db2.gz	MRRWVMUPDVTIIM-QHCPKHFHSA-N	-1	0	478.335	6.140	40	0		JKABRM
COc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(OCC(=O)[O-])c1	ZINC000003626611	554466915	/nfs/dbraw/zinc/46/69/15/554466915.db2.gz	FMMVRJFIUGGRRO-NAKRPHOHSA-N	-1	0	466.574	5.847	40	0		JKABRM
O=C([O-])Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000003651671	554469377	/nfs/dbraw/zinc/46/93/77/554469377.db2.gz	VVZJHOMEUMWISD-UHFFFAOYSA-N	-1	0	470.472	6.992	40	0		JKABRM
[O-]c1c(Br)cc(Br)c2ccc(/C=C/c3c(O)ccc4ccccc34)nc12	ZINC000003954103	554471631	/nfs/dbraw/zinc/47/16/31/554471631.db2.gz	NGEIVDFIXGKIKP-SOFGYWHQSA-N	-1	0	471.148	6.495	40	0	in-vitro	JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000003947455	554471671	/nfs/dbraw/zinc/47/16/71/554471671.db2.gz	WCGUUGGRBIKTOS-RCGGATOFSA-N	-1	0	456.711	7.090	40	0	biogenic,in-man	JKABRM
CC(=O)O[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC(=O)[O-])C(=O)C1	ZINC000005104277	554486611	/nfs/dbraw/zinc/48/66/11/554486611.db2.gz	GFTWFYLFSOGAEP-AYUOAAFJSA-N	-1	0	476.698	6.673	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC(=O)[O-])C(=O)C1	ZINC000005104276	554486612	/nfs/dbraw/zinc/48/66/12/554486612.db2.gz	GFTWFYLFSOGAEP-DBWJBIMXSA-N	-1	0	476.698	6.673	40	0		JKABRM
CCOC(=O)c1c[n-]c2cc3c(cnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1=O	ZINC000005386767	554489311	/nfs/dbraw/zinc/48/93/11/554489311.db2.gz	ALYUASWBIOCYFM-UHFFFAOYSA-N	-1	0	499.570	5.895	40	0		JKABRM
COc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000006141990	554508364	/nfs/dbraw/zinc/50/83/64/554508364.db2.gz	NSICIQCKDUFAIT-RRFJBIMHSA-N	-1	0	483.417	5.568	40	0		JKABRM
COc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000006141989	554508383	/nfs/dbraw/zinc/50/83/83/554508383.db2.gz	NSICIQCKDUFAIT-ZNMIVQPWSA-N	-1	0	483.417	5.568	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F)c1cccc(Cl)c1	ZINC000008810238	554689694	/nfs/dbraw/zinc/68/96/94/554689694.db2.gz	AFPFLNZOBUDEMM-UHFFFAOYSA-N	-1	0	472.847	5.551	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F)c1cccc(Cl)c1	ZINC000008810305	554689984	/nfs/dbraw/zinc/68/99/84/554689984.db2.gz	ZEXHKLCNTRKCJT-UHFFFAOYSA-N	-1	0	496.947	6.325	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F)c1ccccc1Cl	ZINC000008810397	554690209	/nfs/dbraw/zinc/69/02/09/554690209.db2.gz	DHKSOMOHTRJAQT-UHFFFAOYSA-N	-1	0	472.847	5.551	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1F)c1ccccc1F	ZINC000008810759	554691211	/nfs/dbraw/zinc/69/12/11/554691211.db2.gz	XJCAGQQCGCZJNY-UHFFFAOYSA-N	-1	0	490.837	5.690	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F)c1ccccc1F	ZINC000008810758	554691254	/nfs/dbraw/zinc/69/12/54/554691254.db2.gz	IDJYNTDANLYMOX-UHFFFAOYSA-N	-1	0	480.492	5.810	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1F)c1ccc(F)cc1	ZINC000008810916	554691740	/nfs/dbraw/zinc/69/17/40/554691740.db2.gz	KFQCFDVBMPIPRB-UHFFFAOYSA-N	-1	0	496.560	6.169	40	0		JKABRM
O=c1oc2c(cc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)S4)c3ccccc23)s1	ZINC000008859970	554756368	/nfs/dbraw/zinc/75/63/68/554756368.db2.gz	UOQAWTHOYDVHRM-UHFFFAOYSA-N	-1	0	465.533	5.208	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1	ZINC000009147096	554937121	/nfs/dbraw/zinc/93/71/21/554937121.db2.gz	MIJYXULNPSFWEK-KXYYXTSXSA-N	-1	0	456.711	7.234	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@@]32c2ccccc2)cc1	ZINC000009411300	555178444	/nfs/dbraw/zinc/17/84/44/555178444.db2.gz	DYWADYLSDWXVEG-YCVRVPNXSA-N	-1	0	476.532	5.068	40	0		JKABRM
COc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000009427334	555192063	/nfs/dbraw/zinc/19/20/63/555192063.db2.gz	PAOUSIQTYVKBIL-PVTPYKNESA-N	-1	0	476.532	5.068	40	0		JKABRM
Brc1ccc(-c2csc([N-]c3nc(-c4ccc(Br)cc4)cs3)n2)cc1	ZINC000013154298	555359959	/nfs/dbraw/zinc/35/99/59/555359959.db2.gz	HTTGIQDIXOZYHY-UHFFFAOYSA-N	-1	0	493.249	7.202	40	0		JKABRM
CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C	ZINC000013330706	555376360	/nfs/dbraw/zinc/37/63/60/555376360.db2.gz	XSLKAKROJKMHIT-WIUKAADNSA-N	-1	0	470.694	6.291	40	0	biogenic,in-vitro	JKABRM
CC1(C)O[C@](C)([C@@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000013404675	555396614	/nfs/dbraw/zinc/39/66/14/555396614.db2.gz	ZEUOHNFKJGAXCN-MSYCTHLASA-N	-1	0	467.400	5.603	40	0		JKABRM
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(C)c1	ZINC000013612742	555535023	/nfs/dbraw/zinc/53/50/23/555535023.db2.gz	ZLZLPIDAQIZLEX-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1ccc(Br)s1	ZINC000013647342	555551663	/nfs/dbraw/zinc/55/16/63/555551663.db2.gz	UNIPYKXQLOKALA-UHFFFAOYSA-N	-1	0	474.854	6.257	40	0		JKABRM
CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1	ZINC000013667788	555556758	/nfs/dbraw/zinc/55/67/58/555556758.db2.gz	CNGWMQKFAKHJOX-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000013669905	555560255	/nfs/dbraw/zinc/56/02/55/555560255.db2.gz	IBBCXTXBTVHJFJ-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000013670412	555561072	/nfs/dbraw/zinc/56/10/72/555561072.db2.gz	FTSNLXPEIPWUAN-UHFFFAOYSA-N	-1	0	487.021	5.211	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl	ZINC000013672007	555563504	/nfs/dbraw/zinc/56/35/04/555563504.db2.gz	AWUFKZINBCKSGO-SFHVURJKSA-N	-1	0	485.049	6.238	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)c(C)c1	ZINC000013672227	555563878	/nfs/dbraw/zinc/56/38/78/555563878.db2.gz	DMTZMLWKJZEUSE-QGZVFWFLSA-N	-1	0	454.979	5.349	40	0		JKABRM
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C(C)(C)C)cc1	ZINC000013672478	555564294	/nfs/dbraw/zinc/56/42/94/555564294.db2.gz	VOPHLMPJAODHKJ-KRWDZBQOSA-N	-1	0	471.022	5.929	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000009972486	555571934	/nfs/dbraw/zinc/57/19/34/555571934.db2.gz	HFTCBYWJGHRUJH-NGPAHMQLSA-N	-1	0	497.762	5.499	40	0		JKABRM
O=C(Sc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1	ZINC000019958661	555572466	/nfs/dbraw/zinc/57/24/66/555572466.db2.gz	GSBMPEIDXDHDQD-UHFFFAOYSA-N	-1	0	470.575	5.995	40	0		JKABRM
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000020044204	555615324	/nfs/dbraw/zinc/61/53/24/555615324.db2.gz	QNKSIQISDANVIR-HXUWFJFHSA-N	-1	0	461.996	5.045	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2Cl)c1	ZINC000010110300	555619899	/nfs/dbraw/zinc/61/98/99/555619899.db2.gz	PNRFPDUBBJJKGB-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000010110515	555620556	/nfs/dbraw/zinc/62/05/56/555620556.db2.gz	JRQHOTHYVCZRJR-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1	ZINC000010112013	555624143	/nfs/dbraw/zinc/62/41/43/555624143.db2.gz	LVTXFWYUDANESK-IBGZPJMESA-N	-1	0	499.076	6.546	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1	ZINC000010112014	555624174	/nfs/dbraw/zinc/62/41/74/555624174.db2.gz	LVTXFWYUDANESK-LJQANCHMSA-N	-1	0	499.076	6.546	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)c1	ZINC000010112444	555625670	/nfs/dbraw/zinc/62/56/70/555625670.db2.gz	QZZHPYUVPQGEHP-UHFFFAOYSA-N	-1	0	454.979	5.351	40	0		JKABRM
O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl	ZINC000010112682	555626019	/nfs/dbraw/zinc/62/60/19/555626019.db2.gz	BFJRXYMHRGBBEJ-UHFFFAOYSA-N	-1	0	458.819	6.740	40	0		JKABRM
CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)ccc1Cl	ZINC000020104560	555637112	/nfs/dbraw/zinc/63/71/12/555637112.db2.gz	NKLNKUYLMAZZIO-UHFFFAOYSA-N	-1	0	493.368	5.223	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1	ZINC000020105846	555639620	/nfs/dbraw/zinc/63/96/20/555639620.db2.gz	INQOURXAFSWKHQ-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)cc1	ZINC000020107052	555640642	/nfs/dbraw/zinc/64/06/42/555640642.db2.gz	KIHMDCJPZMEVLE-QFIPXVFZSA-N	-1	0	454.979	5.257	40	0		JKABRM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCCCCC1	ZINC000020110486	555646608	/nfs/dbraw/zinc/64/66/08/555646608.db2.gz	GKRRNKVLAIBEHE-UHFFFAOYSA-N	-1	0	450.560	5.296	40	0		JKABRM
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000020112225	555649612	/nfs/dbraw/zinc/64/96/12/555649612.db2.gz	FHBIKJATVNDWFV-UHFFFAOYSA-N	-1	0	482.414	5.061	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1cc2ccccc2c(Br)c1OC	ZINC000020139233	555662371	/nfs/dbraw/zinc/66/23/71/555662371.db2.gz	RVEDFRGGUTWFGW-UHFFFAOYSA-N	-1	0	464.699	5.223	40	0		JKABRM
O=C([O-])c1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(Cl)cc1Cl	ZINC000020139806	555662760	/nfs/dbraw/zinc/66/27/60/555662760.db2.gz	IMJKPXAOCLSLEQ-UHFFFAOYSA-N	-1	0	455.091	5.966	40	0		JKABRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c(Cl)cc1Cl	ZINC000020145411	555664416	/nfs/dbraw/zinc/66/44/16/555664416.db2.gz	LHQLTHMRUOHEHQ-ZZXKWVIFSA-N	-1	0	454.668	6.396	40	0		JKABRM
O=C([O-])COc1ccc(NC(=O)c2ccccc2Br)cc1-c1nc2ccccc2s1	ZINC000020158029	555676554	/nfs/dbraw/zinc/67/65/54/555676554.db2.gz	KHFSIXUGKRENOW-UHFFFAOYSA-N	-1	0	483.343	5.442	40	0		JKABRM
O=C([O-])COc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1nc2ccccc2s1	ZINC000020157987	555676580	/nfs/dbraw/zinc/67/65/80/555676580.db2.gz	RDYJIGBCEPAVFY-UHFFFAOYSA-N	-1	0	483.343	5.442	40	0		JKABRM
CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020168156	555678612	/nfs/dbraw/zinc/67/86/12/555678612.db2.gz	BALQHTAUOZEFSF-GJJHYRHESA-N	-1	0	469.603	5.575	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)c(C)c1	ZINC000014153584	555709762	/nfs/dbraw/zinc/70/97/62/555709762.db2.gz	FDNNBBWAXWWNAB-UHFFFAOYSA-N	-1	0	475.035	5.280	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)c1	ZINC000014153642	555709986	/nfs/dbraw/zinc/70/99/86/555709986.db2.gz	XUQDOAIXXWKVPQ-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000014153931	555710652	/nfs/dbraw/zinc/71/06/52/555710652.db2.gz	SVBDFKUDOPOWCW-UHFFFAOYSA-N	-1	0	456.995	5.826	40	0		JKABRM
CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1	ZINC000014154068	555710928	/nfs/dbraw/zinc/71/09/28/555710928.db2.gz	OYSSNYVEDYQYTR-UHFFFAOYSA-N	-1	0	456.995	5.881	40	0		JKABRM
Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000014154621	555711850	/nfs/dbraw/zinc/71/18/50/555711850.db2.gz	NWPYGRICKCAMIR-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1C	ZINC000014154904	555712519	/nfs/dbraw/zinc/71/25/19/555712519.db2.gz	GENCAHTULLFPQX-UHFFFAOYSA-N	-1	0	491.012	6.677	40	0		JKABRM
COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000014154935	555712853	/nfs/dbraw/zinc/71/28/53/555712853.db2.gz	DVABIVYSAFFNOX-UHFFFAOYSA-N	-1	0	479.385	5.672	40	0		JKABRM
CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000014155127	555713185	/nfs/dbraw/zinc/71/31/85/555713185.db2.gz	OBKRUYORGLBDCR-UHFFFAOYSA-N	-1	0	461.008	5.732	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)ccc2Cl)cc1	ZINC000014155264	555713374	/nfs/dbraw/zinc/71/33/74/555713374.db2.gz	FYVDFNSDEVIBTR-UHFFFAOYSA-N	-1	0	493.810	5.772	40	0		JKABRM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N1CCC(Cc2ccccc2)CC1	ZINC000014155513	555714079	/nfs/dbraw/zinc/71/40/79/555714079.db2.gz	ASMJHBOHRULLQH-UHFFFAOYSA-N	-1	0	469.006	5.236	40	0		JKABRM
CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000014155786	555714251	/nfs/dbraw/zinc/71/42/51/555714251.db2.gz	KQFIGOWMXYHWDF-UHFFFAOYSA-N	-1	0	471.022	6.353	40	0		JKABRM
COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1	ZINC000014155715	555714343	/nfs/dbraw/zinc/71/43/43/555714343.db2.gz	GSKHEVZHQAKLKM-UHFFFAOYSA-N	-1	0	493.368	5.142	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl	ZINC000014269460	555759251	/nfs/dbraw/zinc/75/92/51/555759251.db2.gz	QYTOELXTINSVBP-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C([O-])c1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1	ZINC000014270132	555761217	/nfs/dbraw/zinc/76/12/17/555761217.db2.gz	XLZLQKGIYKSVPA-FNORWQNLSA-N	-1	0	461.326	5.478	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1sc2cc(Cl)ccc2c1Cl	ZINC000014270359	555762192	/nfs/dbraw/zinc/76/21/92/555762192.db2.gz	RGJQNQIDLKDUJP-UHFFFAOYSA-N	-1	0	466.198	6.347	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1cccc2c(Br)cccc12	ZINC000014270348	555762239	/nfs/dbraw/zinc/76/22/39/555762239.db2.gz	BYEXNJYIZABMRU-UHFFFAOYSA-N	-1	0	470.175	5.742	40	0		JKABRM
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)c([O-])c(Cl)c3)o2)cc1Cl	ZINC000014270365	555762245	/nfs/dbraw/zinc/76/22/45/555762245.db2.gz	OGKJQXWDHAZMLB-UHFFFAOYSA-N	-1	0	455.750	6.048	40	0		JKABRM
CCOc1cc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc(OCC)c1OCC	ZINC000014270363	555762272	/nfs/dbraw/zinc/76/22/72/555762272.db2.gz	OOJVZTIRPIFGFV-UHFFFAOYSA-N	-1	0	473.378	5.022	40	0		JKABRM
CCN(CC)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000014356482	555796049	/nfs/dbraw/zinc/79/60/49/555796049.db2.gz	MJQAJGZBMKPXHA-ZCNNSNEGSA-N	-1	0	485.650	5.107	40	0		JKABRM
COc1c(Cc2ccccc2O)c([O-])c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1	ZINC000015122269	555878815	/nfs/dbraw/zinc/87/88/15/555878815.db2.gz	KDEMELRYKGOXDL-UHFFFAOYSA-N	-1	0	484.548	5.515	40	0	biogenic,in-vitro	JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1	ZINC000015231343	555889577	/nfs/dbraw/zinc/88/95/77/555889577.db2.gz	FLXFRBNCRMKQDR-JMIUGGIZSA-N	-1	0	471.893	5.982	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c1	ZINC000022532829	555932706	/nfs/dbraw/zinc/93/27/06/555932706.db2.gz	NXRGCACAHHBCTC-SFHVURJKSA-N	-1	0	498.601	5.034	40	0		JKABRM
COc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O[C@H](C)C(=O)[O-])c1	ZINC000012364887	555959808	/nfs/dbraw/zinc/95/98/08/555959808.db2.gz	XGAICFLKIPNUFE-JNBOAGJCSA-N	-1	0	480.601	6.236	40	0		JKABRM
CC1=C[C@H](c2ccc(Cl)cc2)[C@@](C(=O)[O-])(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)CC1	ZINC000012416745	555977521	/nfs/dbraw/zinc/97/75/21/555977521.db2.gz	BHBPHDUYYBUGKG-FYBSXPHGSA-N	-1	0	496.994	7.106	40	0		JKABRM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2F)ccc1N1CCCCC1	ZINC000012497118	555990506	/nfs/dbraw/zinc/99/05/06/555990506.db2.gz	ZQKDXYUORPJMHW-UHFFFAOYSA-N	-1	0	498.580	5.269	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000012656790	556099359	/nfs/dbraw/zinc/09/93/59/556099359.db2.gz	JKLISIRFYWXLQG-OVFJCAAPSA-N	-1	0	458.727	7.314	40	0	biogenic	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000012868523	556120648	/nfs/dbraw/zinc/12/06/48/556120648.db2.gz	MDZKJHQSJHYOHJ-UBIWQPJHSA-N	-1	0	472.710	6.204	40	0		JKABRM
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000016194611	556128905	/nfs/dbraw/zinc/12/89/05/556128905.db2.gz	UREGMFGXGYSBCK-UHFFFAOYSA-N	-1	0	468.145	5.134	40	0		JKABRM
COc1cccc(COC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)[O-])c1OC	ZINC000016228200	556130373	/nfs/dbraw/zinc/13/03/73/556130373.db2.gz	PIWVUFPNVVTSER-UHFFFAOYSA-N	-1	0	454.089	5.373	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c1	ZINC000016349752	556136308	/nfs/dbraw/zinc/13/63/08/556136308.db2.gz	WXAKROOPYVXSDQ-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
O=C1c2ccccc2C(=O)N1N=c1[n-]nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1	ZINC000016491784	556140925	/nfs/dbraw/zinc/14/09/25/556140925.db2.gz	PWAHZODSOOPXER-UHFFFAOYSA-N	-1	0	468.516	6.101	40	0		JKABRM
CC1(C)[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)CC[C@]1(C)C(=O)[O-]	ZINC000016740838	556156573	/nfs/dbraw/zinc/15/65/73/556156573.db2.gz	LZOKPFMTLUKPQV-WXTAPIANSA-N	-1	0	462.571	5.507	40	0		JKABRM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2cn3cccc(C)c3n2)c1	ZINC000016780411	556159515	/nfs/dbraw/zinc/15/95/15/556159515.db2.gz	VBECVFTYJYHRHJ-UHFFFAOYSA-N	-1	0	486.391	5.272	40	0		JKABRM
Cc1[nH]c2ccccc2c1[C@H](Cc1ccccc1NC(=O)CCC(=O)[O-])c1c[nH]c2ccccc21	ZINC000016918496	556180250	/nfs/dbraw/zinc/18/02/50/556180250.db2.gz	MJNHFWJRPPXMQW-JOCHJYFZSA-N	-1	0	465.553	6.136	40	0		JKABRM
O=C1O[C@](c2ccccc2)(c2cc(Br)c([O-])c(Br)c2)c2ccccc21	ZINC000016969479	556192160	/nfs/dbraw/zinc/19/21/60/556192160.db2.gz	VPEHKIYQFVOKIE-HXUWFJFHSA-N	-1	0	460.121	5.380	40	0		JKABRM
O=C([O-])[C@H](CSC(c1ccccc1)c1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000016978450	556194775	/nfs/dbraw/zinc/19/47/75/556194775.db2.gz	DZJZSHMUZUXFOB-SANMLTNESA-N	-1	0	481.617	5.911	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)N1CCCCC1	ZINC000026116569	556246366	/nfs/dbraw/zinc/24/63/66/556246366.db2.gz	NDJLOHZWYXRHKU-UHFFFAOYSA-N	-1	0	498.695	5.987	40	0		JKABRM
Cc1cc(NC(=O)c2ccc(Br)cc2)c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786920	556263406	/nfs/dbraw/zinc/26/34/06/556263406.db2.gz	QLTPZFCKQMAYGN-UHFFFAOYSA-N	-1	0	494.794	5.510	40	0		JKABRM
CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC	ZINC000017750553	556265864	/nfs/dbraw/zinc/26/58/64/556265864.db2.gz	RHKJBKFWHYYCKC-PVHODMMVSA-N	-1	0	486.568	5.315	40	0		JKABRM
CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000017952678	556272640	/nfs/dbraw/zinc/27/26/40/556272640.db2.gz	KGTCDSBYSHPIRU-HJOGWXRNSA-N	-1	0	460.961	5.689	40	0		JKABRM
O=C([O-])CCCCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1	ZINC000027092582	556273807	/nfs/dbraw/zinc/27/38/07/556273807.db2.gz	JJNUVQIGQRFZAC-UHFFFAOYSA-N	-1	0	454.570	7.010	40	0	in-man	JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1	ZINC000027530842	556291049	/nfs/dbraw/zinc/29/10/49/556291049.db2.gz	HNZVXWIBGDZVPN-UHFFFAOYSA-N	-1	0	481.530	5.117	40	0		JKABRM
O=[P@@]([O-])(O)[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	ZINC000027987277	556310994	/nfs/dbraw/zinc/31/09/94/556310994.db2.gz	JNJYLQHGKLUTIX-LJAQVGFWSA-N	-1	0	495.519	6.172	40	0		JKABRM
O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc21	ZINC000028206689	556317322	/nfs/dbraw/zinc/31/73/22/556317322.db2.gz	KAYFXZQEPRUMGH-UHFFFAOYSA-N	-1	0	470.550	5.483	40	0		JKABRM
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2N1C(=O)c1ccccc1	ZINC000028207132	556317969	/nfs/dbraw/zinc/31/79/69/556317969.db2.gz	JJDHBCXFQLRRTK-HXUWFJFHSA-N	-1	0	484.577	5.871	40	0		JKABRM
CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C	ZINC000028654629	556339025	/nfs/dbraw/zinc/33/90/25/556339025.db2.gz	QFPLAAZRZNKRRY-GIICLEHTSA-N	-1	0	454.695	7.320	40	0	biogenic,in-vitro	JKABRM
CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000030750989	556370914	/nfs/dbraw/zinc/37/09/14/556370914.db2.gz	HQYXDPVURCUYTE-QHCPKHFHSA-N	-1	0	482.602	5.217	40	0		JKABRM
CC(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1	ZINC000030755905	556373200	/nfs/dbraw/zinc/37/32/00/556373200.db2.gz	XCPQKFYTXNIIGT-JOCHJYFZSA-N	-1	0	456.995	5.658	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2Cl)cc1	ZINC000030848532	556376410	/nfs/dbraw/zinc/37/64/10/556376410.db2.gz	XHCROINNXJNBFB-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000030869777	556384746	/nfs/dbraw/zinc/38/47/46/556384746.db2.gz	RYUNXZPJAGSFAC-UHFFFAOYSA-N	-1	0	472.994	5.038	40	0		JKABRM
Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116415	556423259	/nfs/dbraw/zinc/42/32/59/556423259.db2.gz	RRZWQLWKQGVMTL-UHFFFAOYSA-N	-1	0	453.292	5.289	40	0		JKABRM
CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116448	556423604	/nfs/dbraw/zinc/42/36/04/556423604.db2.gz	INAYIKVWHOHWLX-LFYBBSHMSA-N	-1	0	477.358	6.738	40	0		JKABRM
CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116460	556423677	/nfs/dbraw/zinc/42/36/77/556423677.db2.gz	HOODQBZGYVOJSG-UHFFFAOYSA-N	-1	0	481.346	6.394	40	0		JKABRM
CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116480	556423802	/nfs/dbraw/zinc/42/38/02/556423802.db2.gz	MFXLYWISXSJVHF-CQSZACIVSA-N	-1	0	481.346	6.393	40	0		JKABRM
Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116506	556423946	/nfs/dbraw/zinc/42/39/46/556423946.db2.gz	QWNYVUYPMKAGPO-UHFFFAOYSA-N	-1	0	453.292	5.289	40	0		JKABRM
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116618	556424449	/nfs/dbraw/zinc/42/44/49/556424449.db2.gz	MACLVXJKKHIFAO-UHFFFAOYSA-N	-1	0	453.292	5.614	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccccc1Br	ZINC000032116598	556424528	/nfs/dbraw/zinc/42/45/28/556424528.db2.gz	GFOFQGJCUJVLJG-UHFFFAOYSA-N	-1	0	488.135	5.978	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000032119251	556426043	/nfs/dbraw/zinc/42/60/43/556426043.db2.gz	GOLFVESDOJMWTI-UHFFFAOYSA-N	-1	0	476.168	6.393	40	0		JKABRM
C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C1=CC[C@H]1[C@@]2(C)CC[C@@H]2C(C)(C)[C@@H](O)C[C@@H](O)[C@]21C)C(=O)[O-]	ZINC000514288255	560035328	/nfs/dbraw/zinc/03/53/28/560035328.db2.gz	YQXLCRFLNIXKQV-SXKUMDBPSA-N	-1	0	472.710	6.371	40	0	biogenic,in-vitro	JKABRM
C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C1=CC[C@H]1[C@]2(C)CC[C@H]2C(C)(C)[C@@H](O)C[C@@H](O)[C@]21C)C(=O)[O-]	ZINC000514288257	560035349	/nfs/dbraw/zinc/03/53/49/560035349.db2.gz	YQXLCRFLNIXKQV-ZMLQRDLJSA-N	-1	0	472.710	6.371	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C	ZINC000252515737	560040911	/nfs/dbraw/zinc/04/09/11/560040911.db2.gz	NBGQZFQREPIKMG-XGXVRQNGSA-N	-1	0	456.711	7.090	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@]1(C)O	ZINC000257473500	560041734	/nfs/dbraw/zinc/04/17/34/560041734.db2.gz	LJORXTIGOHMBOS-CWYGPVEHSA-N	-1	0	486.693	5.383	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000067910656	560049612	/nfs/dbraw/zinc/04/96/12/560049612.db2.gz	JPGOJQJBPLCRQP-RLLACWQESA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000067910655	560049627	/nfs/dbraw/zinc/04/96/27/560049627.db2.gz	JPGOJQJBPLCRQP-ZYYPUKKZSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000085541126	560071541	/nfs/dbraw/zinc/07/15/41/560071541.db2.gz	OXVUXGFZHDKYLS-PZIFESIKSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])C=C3C)nc2c1	ZINC000072320925	560077139	/nfs/dbraw/zinc/07/71/39/560077139.db2.gz	CBJNBVORXAPQRC-ACRUOGEOSA-N	-1	0	453.627	5.276	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O	ZINC000071877906	560078249	/nfs/dbraw/zinc/07/82/49/560078249.db2.gz	OXVUXGFZHDKYLS-CLQZZSTBSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C/C(=C\CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(=O)[O-]	ZINC000035456209	560081238	/nfs/dbraw/zinc/08/12/38/560081238.db2.gz	RLTDMRMWVUCOAI-GVIWUKLHSA-N	-1	0	470.694	6.724	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000039960739	560085798	/nfs/dbraw/zinc/08/57/98/560085798.db2.gz	RWNHLTKFBKYDOJ-HQWOWQSNSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000034048510	560087685	/nfs/dbraw/zinc/08/76/85/560087685.db2.gz	BZXULBWGROURAF-LPKBGSFPSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)[O-]	ZINC000028900759	563086070	/nfs/dbraw/zinc/08/60/70/563086070.db2.gz	ZHKNLJLMDFQVHJ-RUZDIDTESA-N	-1	0	490.556	5.554	40	0	investigational	JKABRM
C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-]	ZINC000035458160	563120219	/nfs/dbraw/zinc/12/02/19/563120219.db2.gz	VOYZLKWKVLYJHD-OACWFPTLSA-N	-1	0	454.695	7.608	40	0	biogenic,in-vitro	JKABRM
CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000059599681	569607242	/nfs/dbraw/zinc/60/72/42/569607242.db2.gz	BZARGPJBUVOAOE-KWKYFYOMSA-N	-1	0	469.522	5.069	40	0		JKABRM
CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C/C(=O)NCCCC(=O)[O-])cc1	ZINC000062715283	569614289	/nfs/dbraw/zinc/61/42/89/569614289.db2.gz	LKSQKEURAYDRMU-MDWZMJQESA-N	-1	0	474.395	5.320	40	0		JKABRM
COc1cc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1OCc1ccc(C(C)(C)C)cc1	ZINC000062715800	569614378	/nfs/dbraw/zinc/61/43/78/569614378.db2.gz	WQZDVEYPNCFBCD-GHBKMINSSA-N	-1	0	487.596	5.397	40	0		JKABRM
COc1cc(/C=C/C(=O)Nc2nc(CC(=O)[O-])cs2)ccc1OCc1ccc(C(C)(C)C)cc1	ZINC000062715811	569614380	/nfs/dbraw/zinc/61/43/80/569614380.db2.gz	FDSHSHXIHGNICU-XYOKQWHBSA-N	-1	0	480.586	5.307	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC	ZINC000033385793	569625522	/nfs/dbraw/zinc/62/55/22/569625522.db2.gz	LGVAJQNQDDWMQU-LDADJPATSA-N	-1	0	456.926	5.733	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)c(C)c1	ZINC000033468308	569626616	/nfs/dbraw/zinc/62/66/16/569626616.db2.gz	OHXYYYMTZQTPHB-UHFFFAOYSA-N	-1	0	493.810	5.772	40	0		JKABRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cccc(C)c1	ZINC000033508148	569627142	/nfs/dbraw/zinc/62/71/42/569627142.db2.gz	XRGUXKUABCTJLM-KGENOOAVSA-N	-1	0	470.481	5.038	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccccc1	ZINC000033567179	569628073	/nfs/dbraw/zinc/62/80/73/569628073.db2.gz	TYHYWOJLRCHSOC-RCCKNPSSSA-N	-1	0	470.481	5.120	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)C(=O)[N-]C2=S)cc1	ZINC000033573057	569628124	/nfs/dbraw/zinc/62/81/24/569628124.db2.gz	MLKKZWODKCIJJM-XQNSMLJCSA-N	-1	0	456.567	5.808	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc1	ZINC000033573031	569628196	/nfs/dbraw/zinc/62/81/96/569628196.db2.gz	DZRIFKAMQOBADM-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)ccc3OC(=O)c3ccco3)C2=O)c1	ZINC000033581896	569628249	/nfs/dbraw/zinc/62/82/49/569628249.db2.gz	BIHQLGJWCQPERZ-ATVHPVEESA-N	-1	0	495.285	5.076	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)CC)c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000033627881	569629100	/nfs/dbraw/zinc/62/91/00/569629100.db2.gz	PWGPUIJRGUMAQQ-CRRKTRLDSA-N	-1	0	487.419	5.860	40	0		JKABRM
COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000033627980	569629122	/nfs/dbraw/zinc/62/91/22/569629122.db2.gz	MTDPDOGPNFICOI-GIJQJNRQSA-N	-1	0	484.867	5.162	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC	ZINC000033642954	569629439	/nfs/dbraw/zinc/62/94/39/569629439.db2.gz	DIHVIEIUCQGDME-SILNSSARSA-N	-1	0	452.576	5.716	40	0		JKABRM
CCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000033663894	569630195	/nfs/dbraw/zinc/63/01/95/569630195.db2.gz	SSHJHBRXFISUAZ-ATVHPVEESA-N	-1	0	461.345	6.459	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)[N-]C2=S)cc1	ZINC000033680541	569630669	/nfs/dbraw/zinc/63/06/69/569630669.db2.gz	XKGMROFJDPPYDC-YZSQISJMSA-N	-1	0	479.605	6.481	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000033694100	569630934	/nfs/dbraw/zinc/63/09/34/569630934.db2.gz	CRGJZXSKSAEWGG-OEAKJJBVSA-N	-1	0	497.576	5.380	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2Cl)c1	ZINC000033706107	569631155	/nfs/dbraw/zinc/63/11/55/569631155.db2.gz	BOAQOHSYLDHPJK-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl	ZINC000033720510	569631830	/nfs/dbraw/zinc/63/18/30/569631830.db2.gz	XEYSGSPZIHLWKR-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OC	ZINC000033719055	569631924	/nfs/dbraw/zinc/63/19/24/569631924.db2.gz	BRUDMQFWRSVSSV-NGWPFTMJSA-N	-1	0	456.926	5.649	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21	ZINC000033746648	569633455	/nfs/dbraw/zinc/63/34/55/569633455.db2.gz	OZYYMZTWVHDCCD-OEAKJJBVSA-N	-1	0	497.463	5.422	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000033750907	569633522	/nfs/dbraw/zinc/63/35/22/569633522.db2.gz	YJCFPYWUKBXHIE-HZHRSRAPSA-N	-1	0	459.571	5.337	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1	ZINC000033779493	569634559	/nfs/dbraw/zinc/63/45/59/569634559.db2.gz	LOVZIIQFNCRAJC-XDHOZWIPSA-N	-1	0	481.302	5.123	40	0		JKABRM
O=C([O-])c1cc(Cl)cc2c1N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@H]21	ZINC000033821671	569635640	/nfs/dbraw/zinc/63/56/40/569635640.db2.gz	RDFIXTNXKOUBJW-IQRQZYJCSA-N	-1	0	489.843	7.372	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000033831833	569635849	/nfs/dbraw/zinc/63/58/49/569635849.db2.gz	MDZKJHQSJHYOHJ-HMLFFTNJSA-N	-1	0	472.710	6.204	40	0	in-vitro	JKABRM
CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCC(=O)[O-])[C@@H]3c2ccc(OCC)cc2)cc1	ZINC000033851771	569636294	/nfs/dbraw/zinc/63/62/94/569636294.db2.gz	XQWUBUDZIHUSKO-OIGMXZDISA-N	-1	0	476.573	5.472	40	0		JKABRM
COc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc2ccccc2c1	ZINC000033850944	569636319	/nfs/dbraw/zinc/63/63/19/569636319.db2.gz	PFSWQCBMXDLQDL-OEAKJJBVSA-N	-1	0	482.492	5.523	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)cc2)ccc1Cl	ZINC000033859500	569636394	/nfs/dbraw/zinc/63/63/94/569636394.db2.gz	SBLBYDWDGVXPSZ-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
COc1cccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c1	ZINC000033897906	569637240	/nfs/dbraw/zinc/63/72/40/569637240.db2.gz	SOTFIHHJHUBBKJ-DURBRWELSA-N	-1	0	476.532	5.068	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2Br)ccc1Cl	ZINC000034718360	569652188	/nfs/dbraw/zinc/65/21/88/569652188.db2.gz	ATLHYMCCJWUAGM-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)[N-]C2=S)cc1	ZINC000034765532	569658487	/nfs/dbraw/zinc/65/84/87/569658487.db2.gz	QYWRTQILYBJYMC-UDWIEESQSA-N	-1	0	498.435	6.635	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)[N-]C2=S)cc1	ZINC000034807681	569661393	/nfs/dbraw/zinc/66/13/93/569661393.db2.gz	VNQKSIFOZIBLMF-HZHRSRAPSA-N	-1	0	476.985	6.153	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1Cl	ZINC000034856050	569667378	/nfs/dbraw/zinc/66/73/78/569667378.db2.gz	KXSOJOXIFJVXSY-UHFFFAOYSA-N	-1	0	459.763	5.687	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c1	ZINC000035107048	569675025	/nfs/dbraw/zinc/67/50/25/569675025.db2.gz	FBIMSOSMMNRNGP-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
CCOc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000035147355	569675883	/nfs/dbraw/zinc/67/58/83/569675883.db2.gz	IIBJFJMWXVGUMN-VWLOTQADSA-N	-1	0	453.498	5.232	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)(C)C)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000035147336	569676049	/nfs/dbraw/zinc/67/60/49/569676049.db2.gz	QFLKGIWUAGWSLX-SANMLTNESA-N	-1	0	465.553	6.131	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1	ZINC000035199383	569678166	/nfs/dbraw/zinc/67/81/66/569678166.db2.gz	DYWADYLSDWXVEG-ZKKGZRQESA-N	-1	0	476.532	5.068	40	0		JKABRM
O=C([O-])c1cc(-c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)nc2ccc(Br)cc21	ZINC000035396270	569687376	/nfs/dbraw/zinc/68/73/76/569687376.db2.gz	SXNUJILKPSCKAW-IAGOWNOFSA-N	-1	0	479.330	5.042	40	0		JKABRM
O=C(N/C=C\c1cc(Cl)cc(Cl)c1)[C@@H](c1csc2ccc(Cl)cc21)[P@](=O)([O-])O	ZINC000071602554	569697181	/nfs/dbraw/zinc/69/71/81/569697181.db2.gz	AAWWTPVQFZNTEM-CWIOURORSA-N	-1	0	476.705	5.867	40	0		JKABRM
CC(C)(OC(=O)[C@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1	ZINC000071788169	569698344	/nfs/dbraw/zinc/69/83/44/569698344.db2.gz	UFFILNXPAXHSBT-VWLOTQADSA-N	-1	0	487.552	5.237	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000071789663	569698523	/nfs/dbraw/zinc/69/85/23/569698523.db2.gz	PGOYMURMZNDHNS-JLPKWMQCSA-N	-1	0	472.710	6.206	40	0	in-vitro	JKABRM
CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000071980489	569699395	/nfs/dbraw/zinc/69/93/95/569699395.db2.gz	MZWNAYCTOONIEN-WGAFOPHPSA-N	-1	0	481.433	5.582	40	0		JKABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OCC)c3ccccc32)sc2c1CCCC2	ZINC000072414580	569704006	/nfs/dbraw/zinc/70/40/06/569704006.db2.gz	KOYNXFQBROEYCI-UHFFFAOYSA-N	-1	0	459.589	5.156	40	0		JKABRM
CC(C)(C)OC(=O)N1CCC[C@H]([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000035629892	569705749	/nfs/dbraw/zinc/70/57/49/569705749.db2.gz	CGPPZFQDBBUTIE-UUOWRZLLSA-N	-1	0	494.588	5.016	40	0		JKABRM
CC1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@](C)(C(=O)[O-])C[C@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000087493088	569718034	/nfs/dbraw/zinc/71/80/34/569718034.db2.gz	RUJQEBHXYLCSKV-FKTUBYARSA-N	-1	0	470.694	6.413	40	0		JKABRM
CC(C)(C)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C([O-])=S)cc1	ZINC000090635674	569721097	/nfs/dbraw/zinc/72/10/97/569721097.db2.gz	XZHZSDWLOGCJLR-VWLOTQADSA-N	-1	0	459.611	6.319	40	0		JKABRM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000095483654	569725178	/nfs/dbraw/zinc/72/51/78/569725178.db2.gz	ILOGOOOAUQKWMJ-VJBWXMMDSA-N	-1	0	477.358	5.063	40	0		JKABRM
CCOc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1	ZINC000095532184	569725442	/nfs/dbraw/zinc/72/54/42/569725442.db2.gz	PSUVBVXXSOEMJW-JOCHJYFZSA-N	-1	0	465.937	5.138	40	0		JKABRM
COc1ccc2cc([C@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1	ZINC000095532164	569725482	/nfs/dbraw/zinc/72/54/82/569725482.db2.gz	KXBUVOGITOTHLJ-OAQYLSRUSA-N	-1	0	486.355	5.483	40	0		JKABRM
O=C([O-])CCCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1cccs1	ZINC000095532138	569725483	/nfs/dbraw/zinc/72/54/83/569725483.db2.gz	DMCGYMMVFUOIRG-HSZRJFAPSA-N	-1	0	484.581	5.533	40	0		JKABRM
COc1ccc2nc(Cl)c([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1	ZINC000095532162	569725507	/nfs/dbraw/zinc/72/55/07/569725507.db2.gz	PMXSOCRINXVPJJ-JOCHJYFZSA-N	-1	0	465.937	5.138	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000100145072	569753789	/nfs/dbraw/zinc/75/37/89/569753789.db2.gz	JXSVIVRDWWRQRT-SYHACYDZSA-N	-1	0	488.709	5.033	40	0		JKABRM
Cn1c2ccccc2c([O-])c(C(=O)C[C@H](Nc2cccc3ccccc32)c2ccc3c(c2)OCO3)c1=O	ZINC000100362089	569758060	/nfs/dbraw/zinc/75/80/60/569758060.db2.gz	QZXRXLHJYSXYAG-QHCPKHFHSA-N	-1	0	492.531	5.552	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C	ZINC000037246025	569781853	/nfs/dbraw/zinc/78/18/53/569781853.db2.gz	RIXNFYQZWDGQAE-AXGGJQRISA-N	-1	0	498.748	7.804	40	0		JKABRM
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(O)c(-c4nc5ccccc5s4)c3)o2)cc1C	ZINC000038159853	569799611	/nfs/dbraw/zinc/79/96/11/569799611.db2.gz	TZIBBYRQUCMZOX-UHFFFAOYSA-N	-1	0	499.617	6.673	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2Cl)c(C)c1	ZINC000038753529	569806562	/nfs/dbraw/zinc/80/65/62/569806562.db2.gz	UEBBZWPZGVJTDL-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1	ZINC000038753363	569806591	/nfs/dbraw/zinc/80/65/91/569806591.db2.gz	RCLGABOIHIRIDS-OQKWZONESA-N	-1	0	490.972	5.110	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(OC)cc1	ZINC000038755307	569806960	/nfs/dbraw/zinc/80/69/60/569806960.db2.gz	CUQNOOQMFUKGHQ-JOCHJYFZSA-N	-1	0	472.994	5.339	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccccc4)C(=O)[C@]32c2ccccc2)cc1	ZINC000102704683	569816423	/nfs/dbraw/zinc/81/64/23/569816423.db2.gz	DYWADYLSDWXVEG-WWDWLDGVSA-N	-1	0	476.532	5.068	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(C)cc4)C(=O)[C@]32c2ccccc2)cc1	ZINC000102708323	569816765	/nfs/dbraw/zinc/81/67/65/569816765.db2.gz	RXXCHODPTODWQX-XHWIWGEHSA-N	-1	0	490.559	5.377	40	0		JKABRM
CCCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC	ZINC000102737934	569818952	/nfs/dbraw/zinc/81/89/52/569818952.db2.gz	RHKJBKFWHYYCKC-KWXIBIRDSA-N	-1	0	486.568	5.315	40	0		JKABRM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102964403	569830294	/nfs/dbraw/zinc/83/02/94/569830294.db2.gz	YRDZXMGIXPRCGR-BKMJKUGQSA-N	-1	0	473.500	5.176	40	0		JKABRM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)cc1C	ZINC000103013137	569831734	/nfs/dbraw/zinc/83/17/34/569831734.db2.gz	RFGJFIQFIVPWEU-LSYYVWMOSA-N	-1	0	477.516	5.375	40	0		JKABRM
CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(Cc2ccccc2)n1	ZINC000103298776	569834375	/nfs/dbraw/zinc/83/43/75/569834375.db2.gz	FQBMBQTWKSPVKI-UHFFFAOYSA-N	-1	0	472.541	5.308	40	0		JKABRM
CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1	ZINC000103298806	569834429	/nfs/dbraw/zinc/83/44/29/569834429.db2.gz	NPRRRKXWIFDPMQ-UHFFFAOYSA-N	-1	0	486.568	5.964	40	0		JKABRM
CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(Cc2ccccc2)n1	ZINC000103298848	569834495	/nfs/dbraw/zinc/83/44/95/569834495.db2.gz	OBGNCVMAXMINSV-UHFFFAOYSA-N	-1	0	456.542	6.151	40	0		JKABRM
CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O	ZINC000103468275	569835323	/nfs/dbraw/zinc/83/53/23/569835323.db2.gz	UGEYFXNCYJMMDU-PCCBWWKXSA-N	-1	0	485.621	5.307	40	0		JKABRM
O=C([O-])c1cc(-c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)nc2ccc(Br)cc21	ZINC000104827248	569846500	/nfs/dbraw/zinc/84/65/00/569846500.db2.gz	SXNUJILKPSCKAW-IRXDYDNUSA-N	-1	0	479.330	5.042	40	0		JKABRM
Cn1c2ccccc2c([O-])c(C(=O)C[C@H](Nc2ccc3ccccc3c2)c2ccc3c(c2)OCO3)c1=O	ZINC000104827543	569846590	/nfs/dbraw/zinc/84/65/90/569846590.db2.gz	INKVDDSCLPPHAG-QHCPKHFHSA-N	-1	0	492.531	5.552	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]13	ZINC000105366184	569852893	/nfs/dbraw/zinc/85/28/93/569852893.db2.gz	JZCAMJGYCFMTGT-UOAMTUORSA-N	-1	0	491.628	5.407	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	ZINC000106688097	569854673	/nfs/dbraw/zinc/85/46/73/569854673.db2.gz	HNVDJGALCAGWKE-JAIQZWGSSA-N	-1	0	453.903	5.843	40	0		JKABRM
Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)c([O-])c(Br)c3O)C2=O)cc1	ZINC000106704295	569854888	/nfs/dbraw/zinc/85/48/88/569854888.db2.gz	KZUYAPBNORFPIY-QPEQYQDCSA-N	-1	0	499.180	5.168	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)cc1Cl	ZINC000106713976	569855005	/nfs/dbraw/zinc/85/50/05/569855005.db2.gz	CTYMMWCNIDPUGX-QRVIBDJDSA-N	-1	0	489.936	6.688	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	ZINC000106723390	569855093	/nfs/dbraw/zinc/85/50/93/569855093.db2.gz	NFKQGJPYIMPZIX-ODLFYWEKSA-N	-1	0	484.327	5.644	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc1	ZINC000106723522	569855136	/nfs/dbraw/zinc/85/51/36/569855136.db2.gz	KHOYOIGFVOUXMM-ODLFYWEKSA-N	-1	0	484.327	5.644	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1Cl	ZINC000106736283	569855285	/nfs/dbraw/zinc/85/52/85/569855285.db2.gz	QVWXZSYAYCQIJE-OCKHKDLRSA-N	-1	0	492.311	6.327	40	0		JKABRM
O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	ZINC000106741510	569855380	/nfs/dbraw/zinc/85/53/80/569855380.db2.gz	DVSHHHFKKHWLPU-CQPUUCJISA-N	-1	0	458.706	5.318	40	0		JKABRM
Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000106781110	569855796	/nfs/dbraw/zinc/85/57/96/569855796.db2.gz	FBOBDSVMYLVXSL-HMAPJEAMSA-N	-1	0	463.511	5.377	40	0		JKABRM
O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1Br	ZINC000107214930	569856391	/nfs/dbraw/zinc/85/63/91/569856391.db2.gz	RVBSWHPNWQYPKE-UHFFFAOYSA-N	-1	0	459.081	5.031	40	0		JKABRM
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000107777323	569857359	/nfs/dbraw/zinc/85/73/59/569857359.db2.gz	PTDUHYKOMZPXMM-MOSHPQCFSA-N	-1	0	478.595	5.974	40	0		JKABRM
CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCc1ccc(Br)cc1	ZINC000107858432	569857740	/nfs/dbraw/zinc/85/77/40/569857740.db2.gz	NPBBFCDMQCPJFN-VMPITWQZSA-N	-1	0	456.130	5.287	40	0		JKABRM
CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000108108779	569858627	/nfs/dbraw/zinc/85/86/27/569858627.db2.gz	ZIXOLLKPBWZIOA-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1Cl	ZINC000108923897	569859816	/nfs/dbraw/zinc/85/98/16/569859816.db2.gz	VMXHVEBZJNDBRF-UUASQNMZSA-N	-1	0	487.748	5.036	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118926950	569863814	/nfs/dbraw/zinc/86/38/14/569863814.db2.gz	CBBTWAWCVXJVTL-QCYZZNICSA-N	-1	0	468.744	7.296	40	0		JKABRM
CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)Nc1sc(C)c(-c3ccc(C(C)C)cc3)c1C(N)=O)[C@@H]2C(=O)[O-]	ZINC000169300809	569868184	/nfs/dbraw/zinc/86/81/84/569868184.db2.gz	IIMCIONEANYPFY-GMQQQROESA-N	-1	0	480.630	5.578	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000211510546	569876142	/nfs/dbraw/zinc/87/61/42/569876142.db2.gz	ONYDBPOGSIBDOP-POICXBNUSA-N	-1	0	480.973	5.782	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(SCC(=O)N2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-]	ZINC000211519382	569876169	/nfs/dbraw/zinc/87/61/69/569876169.db2.gz	ZRXQRBXQPXXWCE-FBMGVBCBSA-N	-1	0	472.566	5.212	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)C(=O)[O-]	ZINC000211514718	569876180	/nfs/dbraw/zinc/87/61/80/569876180.db2.gz	UWQIZMUJOIBHNR-JLHYYAGUSA-N	-1	0	487.990	5.164	40	0		JKABRM
CC(C)(OC(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])c1ccccc1	ZINC000211804947	569876263	/nfs/dbraw/zinc/87/62/63/569876263.db2.gz	NPNRKQDJIWMHNG-RUZDIDTESA-N	-1	0	487.552	5.237	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000214816508	569877042	/nfs/dbraw/zinc/87/70/42/569877042.db2.gz	OMZWWTDSIIJDTL-GIJQJNRQSA-N	-1	0	482.341	5.092	40	0		JKABRM
Cc1ccc([C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc2)cc1	ZINC000216259845	569877981	/nfs/dbraw/zinc/87/79/81/569877981.db2.gz	DRIGTDFPHZEJHW-SANMLTNESA-N	-1	0	491.012	5.969	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c1C	ZINC000216418174	569878799	/nfs/dbraw/zinc/87/87/99/569878799.db2.gz	DZDJRFSDLUZAOA-UHFFFAOYSA-N	-1	0	487.021	5.475	40	0		JKABRM
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CC[C@@H](C(=O)[O-])CC1)occ3-c1ccccc1	ZINC000217449486	569880009	/nfs/dbraw/zinc/88/00/09/569880009.db2.gz	OVLBBQYBVGJVMU-KESTWPANSA-N	-1	0	487.552	5.454	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2cccc(OC)c2)ccc1Cl	ZINC000222595266	569886610	/nfs/dbraw/zinc/88/66/10/569886610.db2.gz	NOFYAOVGFRSBDK-UHFFFAOYSA-N	-1	0	482.341	5.382	40	0		JKABRM
COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c2ccccc12	ZINC000222595062	569886638	/nfs/dbraw/zinc/88/66/38/569886638.db2.gz	OHAYQTOFIKTFLV-UHFFFAOYSA-N	-1	0	496.972	5.187	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(I)c3)N21	ZINC000222687917	569888554	/nfs/dbraw/zinc/88/85/54/569888554.db2.gz	QPYSRKPVSHEWSD-HFBAOOFYSA-N	-1	0	485.778	5.025	40	0		JKABRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3OCc3ccc(C(=O)[O-])cc3)N21	ZINC000222716789	569889435	/nfs/dbraw/zinc/88/94/35/569889435.db2.gz	BAAYCKPHQVCBPA-WDJPJFJCSA-N	-1	0	459.571	5.338	40	0		JKABRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)N21	ZINC000222716518	569889442	/nfs/dbraw/zinc/88/94/42/569889442.db2.gz	HKQZESGGPCZAKD-NKKJXINNSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(-c3ccccc3)s2)ccc1Cl	ZINC000222749738	569890176	/nfs/dbraw/zinc/89/01/76/569890176.db2.gz	HXQGOJSOLUTRAS-UHFFFAOYSA-N	-1	0	484.990	5.220	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)c1	ZINC000222771415	569890683	/nfs/dbraw/zinc/89/06/83/569890683.db2.gz	VLCRKPPJEZXFFL-UHFFFAOYSA-N	-1	0	464.974	5.532	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1	ZINC000222777147	569890870	/nfs/dbraw/zinc/89/08/70/569890870.db2.gz	PHASQWZXGAGVJH-UHFFFAOYSA-N	-1	0	475.994	6.382	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)s1)c1ccc(Cl)cc1Cl	ZINC000222850575	569892690	/nfs/dbraw/zinc/89/26/90/569892690.db2.gz	VHCQHFVFKPGVAZ-UHFFFAOYSA-N	-1	0	498.200	5.205	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1	ZINC000222934278	569894778	/nfs/dbraw/zinc/89/47/78/569894778.db2.gz	RLZNODXGJYNWAI-GOSISDBHSA-N	-1	0	483.033	5.819	40	0		JKABRM
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCCC2	ZINC000222933989	569894816	/nfs/dbraw/zinc/89/48/16/569894816.db2.gz	OQKRBLBNJXTGBX-KRWDZBQOSA-N	-1	0	469.006	5.511	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)cc1	ZINC000222934419	569894823	/nfs/dbraw/zinc/89/48/23/569894823.db2.gz	ZMHXCJXVNYUBJB-GOSISDBHSA-N	-1	0	483.033	5.819	40	0		JKABRM
CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222941124	569895044	/nfs/dbraw/zinc/89/50/44/569895044.db2.gz	RKZWFRPJJYMQTE-NHCUHLMSSA-N	-1	0	455.967	5.322	40	0		JKABRM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3OC)ccc21	ZINC000222956236	569895386	/nfs/dbraw/zinc/89/53/86/569895386.db2.gz	IMFDGUYNNKPYTA-UHFFFAOYSA-N	-1	0	486.977	5.241	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1	ZINC000222973589	569895897	/nfs/dbraw/zinc/89/58/97/569895897.db2.gz	FDQSFCFVAIYTFS-UHFFFAOYSA-N	-1	0	493.006	5.622	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223117948	569899894	/nfs/dbraw/zinc/89/98/94/569899894.db2.gz	OPHOPNXWBOJXDZ-RPWUZVMVSA-N	-1	0	461.587	5.653	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1	ZINC000223118476	569899957	/nfs/dbraw/zinc/89/99/57/569899957.db2.gz	UUEBXGGGCRNQHF-PKTZIBPZSA-N	-1	0	482.005	5.998	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)cc1C	ZINC000223183849	569902497	/nfs/dbraw/zinc/90/24/97/569902497.db2.gz	HLGLVPMUFBYVNB-GOSISDBHSA-N	-1	0	483.033	5.737	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)cc1C	ZINC000223183779	569902516	/nfs/dbraw/zinc/90/25/16/569902516.db2.gz	HLGLVPMUFBYVNB-SFHVURJKSA-N	-1	0	483.033	5.737	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc3ccccc3c2)s1)c1ccc(Cl)cc1Cl	ZINC000223197945	569903104	/nfs/dbraw/zinc/90/31/04/569903104.db2.gz	GSVLDCDAGVQMCW-UHFFFAOYSA-N	-1	0	479.370	5.051	40	0		JKABRM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C(C)C	ZINC000223248174	569904869	/nfs/dbraw/zinc/90/48/69/569904869.db2.gz	HKTDAYGHUHWDQQ-IBGZPJMESA-N	-1	0	466.603	5.419	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1	ZINC000223316966	569907273	/nfs/dbraw/zinc/90/72/73/569907273.db2.gz	FNTADRLFYRWESO-UHFFFAOYSA-N	-1	0	498.988	5.241	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1	ZINC000223364822	569908938	/nfs/dbraw/zinc/90/89/38/569908938.db2.gz	XEMLLRTUVGQCEN-FCHUYYIVSA-N	-1	0	479.945	5.459	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223400131	569909924	/nfs/dbraw/zinc/90/99/24/569909924.db2.gz	FLSAJSUZLPPHLF-DNQXCXABSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223400609	569909947	/nfs/dbraw/zinc/90/99/47/569909947.db2.gz	PRKPLSCTQUIGBD-RPWUZVMVSA-N	-1	0	455.539	5.213	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223402442	569909961	/nfs/dbraw/zinc/90/99/61/569909961.db2.gz	VCOTXWUJGVCRRN-RPBOFIJWSA-N	-1	0	469.566	5.521	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223402490	569909967	/nfs/dbraw/zinc/90/99/67/569909967.db2.gz	VCOTXWUJGVCRRN-LOSJGSFVSA-N	-1	0	469.566	5.521	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223402882	569910041	/nfs/dbraw/zinc/91/00/41/569910041.db2.gz	CMXOGAFNGJOHIS-RPWUZVMVSA-N	-1	0	489.984	5.866	40	0		JKABRM
Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C	ZINC000223427789	569910993	/nfs/dbraw/zinc/91/09/93/569910993.db2.gz	YPUAUKCTNVKSPS-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c1	ZINC000223428155	569911007	/nfs/dbraw/zinc/91/10/07/569911007.db2.gz	QZJQZJDGFFUUHN-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1C	ZINC000223428006	569911018	/nfs/dbraw/zinc/91/10/18/569911018.db2.gz	CWXPULLOJHHREG-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1C	ZINC000223427941	569911029	/nfs/dbraw/zinc/91/10/29/569911029.db2.gz	CWXPULLOJHHREG-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3SCc3ccc(Cl)cc3)ccc2c1	ZINC000223610745	569917878	/nfs/dbraw/zinc/91/78/78/569917878.db2.gz	IXDWTFLEJMBPKX-UHFFFAOYSA-N	-1	0	470.015	6.595	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2Cl)cc1	ZINC000223767956	569922621	/nfs/dbraw/zinc/92/26/21/569922621.db2.gz	IAGOCFRLSNXNHD-UHFFFAOYSA-N	-1	0	487.021	5.381	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223775899	569922914	/nfs/dbraw/zinc/92/29/14/569922914.db2.gz	OFABNWCACUCIRW-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223775981	569922920	/nfs/dbraw/zinc/92/29/20/569922920.db2.gz	OFABNWCACUCIRW-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223776306	569922949	/nfs/dbraw/zinc/92/29/49/569922949.db2.gz	ZTEQPIUYLUHNJP-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000223829441	569924554	/nfs/dbraw/zinc/92/45/54/569924554.db2.gz	OUXPFKKWORJCPV-LOSJGSFVSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000223829685	569924564	/nfs/dbraw/zinc/92/45/64/569924564.db2.gz	UOCAIXFJFOCBDN-LOSJGSFVSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223834049	569924661	/nfs/dbraw/zinc/92/46/61/569924661.db2.gz	FEOPWZLGZCZZSD-RPBOFIJWSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223833984	569924694	/nfs/dbraw/zinc/92/46/94/569924694.db2.gz	FEOPWZLGZCZZSD-DQEYMECFSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223833654	569924697	/nfs/dbraw/zinc/92/46/97/569924697.db2.gz	YYAQWICJVHWVIM-JWQCQUIFSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223836323	569924728	/nfs/dbraw/zinc/92/47/28/569924728.db2.gz	ASAKIFZLENFBMP-IZZNHLLZSA-N	-1	0	499.592	5.924	40	0		JKABRM
COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	ZINC000223876499	569925906	/nfs/dbraw/zinc/92/59/06/569925906.db2.gz	FZTVPUVPZWBHJY-UHFFFAOYSA-N	-1	0	498.988	5.241	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223912517	569927031	/nfs/dbraw/zinc/92/70/31/569927031.db2.gz	MZKFKHFGFWBNKJ-JWQCQUIFSA-N	-1	0	484.581	5.283	40	0		JKABRM
O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223955842	569928349	/nfs/dbraw/zinc/92/83/49/569928349.db2.gz	KOSKQPISFVTGGA-UHFFFAOYSA-N	-1	0	462.958	5.645	40	0		JKABRM
O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223954958	569928354	/nfs/dbraw/zinc/92/83/54/569928354.db2.gz	SCDCBBGZQLNQNC-UHFFFAOYSA-N	-1	0	476.941	6.293	40	0		JKABRM
O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223955351	569928394	/nfs/dbraw/zinc/92/83/94/569928394.db2.gz	ZIRKRNAYRVBMAZ-UHFFFAOYSA-N	-1	0	477.973	5.379	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000223958057	569928423	/nfs/dbraw/zinc/92/84/23/569928423.db2.gz	NPXGOTOCPGDQEM-UHFFFAOYSA-N	-1	0	463.386	5.075	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2Cl)c1C	ZINC000223962804	569928533	/nfs/dbraw/zinc/92/85/33/569928533.db2.gz	IXLXYCPWBOCEJQ-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)c1C	ZINC000223964499	569928716	/nfs/dbraw/zinc/92/87/16/569928716.db2.gz	SEDPVKWRTWHTDI-UHFFFAOYSA-N	-1	0	491.012	6.262	40	0		JKABRM
COCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000223964256	569928724	/nfs/dbraw/zinc/92/87/24/569928724.db2.gz	CBEGRPDDABLWHW-UHFFFAOYSA-N	-1	0	458.967	5.156	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Cl)c(C)c1	ZINC000223965571	569928743	/nfs/dbraw/zinc/92/87/43/569928743.db2.gz	DSNRSXAZQQOIDL-SFHVURJKSA-N	-1	0	456.995	5.291	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2Cl)c(C)c1	ZINC000223966299	569928764	/nfs/dbraw/zinc/92/87/64/569928764.db2.gz	MEQARKPNXKMNGH-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000223969626	569928907	/nfs/dbraw/zinc/92/89/07/569928907.db2.gz	RRBCHKUHMXCTGK-GOSISDBHSA-N	-1	0	451.032	5.704	40	0		JKABRM
Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1	ZINC000223970605	569928955	/nfs/dbraw/zinc/92/89/55/569928955.db2.gz	DKXZGGOTGFILBO-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223990613	569929690	/nfs/dbraw/zinc/92/96/90/569929690.db2.gz	PMQUFKAXJONCBP-DQEYMECFSA-N	-1	0	498.564	5.175	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223990977	569929695	/nfs/dbraw/zinc/92/96/95/569929695.db2.gz	AJZFPRABZFWCOI-LOSJGSFVSA-N	-1	0	498.564	5.175	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223990664	569929709	/nfs/dbraw/zinc/92/97/09/569929709.db2.gz	PMQUFKAXJONCBP-RPBOFIJWSA-N	-1	0	498.564	5.175	40	0		JKABRM
Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000224074206	569932437	/nfs/dbraw/zinc/93/24/37/569932437.db2.gz	SXWWOOIHQYWRCV-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)cc(C)c3)ccc2Cl)c(C)c1	ZINC000224074053	569932467	/nfs/dbraw/zinc/93/24/67/569932467.db2.gz	HMGHADUVJHVDTO-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224184312	569935620	/nfs/dbraw/zinc/93/56/20/569935620.db2.gz	HVZWYEXLLYCFFJ-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224212680	569936709	/nfs/dbraw/zinc/93/67/09/569936709.db2.gz	CBWYSLQJWOFFEY-BJKOFHAPSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224216303	569936841	/nfs/dbraw/zinc/93/68/41/569936841.db2.gz	BHJJQZSOBVUWCC-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224215913	569936846	/nfs/dbraw/zinc/93/68/46/569936846.db2.gz	NWQHSOPWJJPRMS-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1	ZINC000224218412	569936958	/nfs/dbraw/zinc/93/69/58/569936958.db2.gz	JEIHYDOGWZTWSN-RPWUZVMVSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224245175	569937919	/nfs/dbraw/zinc/93/79/19/569937919.db2.gz	SHDSKKUVVGNJIB-RPWUZVMVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224244961	569937940	/nfs/dbraw/zinc/93/79/40/569937940.db2.gz	POXGRFWVULQABA-RPWUZVMVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224248419	569938017	/nfs/dbraw/zinc/93/80/17/569938017.db2.gz	CMIYQARZTBQEPX-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224248504	569938082	/nfs/dbraw/zinc/93/80/82/569938082.db2.gz	CMIYQARZTBQEPX-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1	ZINC000224251082	569938129	/nfs/dbraw/zinc/93/81/29/569938129.db2.gz	YCKGSOZFAGPQKZ-RPWUZVMVSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224250632	569938146	/nfs/dbraw/zinc/93/81/46/569938146.db2.gz	OJLXXRKOEQLZDV-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1C	ZINC000224281377	569939146	/nfs/dbraw/zinc/93/91/46/569939146.db2.gz	VIXCIRCDIGJQCG-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1C	ZINC000224281423	569939160	/nfs/dbraw/zinc/93/91/60/569939160.db2.gz	VIXCIRCDIGJQCG-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1C	ZINC000224281313	569939161	/nfs/dbraw/zinc/93/91/61/569939161.db2.gz	ORTHMYGOJQAWGE-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1C	ZINC000224281610	569939217	/nfs/dbraw/zinc/93/92/17/569939217.db2.gz	ASUAPGURKQTENI-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224316175	569940249	/nfs/dbraw/zinc/94/02/49/569940249.db2.gz	POQOJKCDHSRJKE-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224316119	569940250	/nfs/dbraw/zinc/94/02/50/569940250.db2.gz	POQOJKCDHSRJKE-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224345288	569941346	/nfs/dbraw/zinc/94/13/46/569941346.db2.gz	IHFGCJPPZKVBCU-DQEYMECFSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224348554	569941473	/nfs/dbraw/zinc/94/14/73/569941473.db2.gz	XLWHZCSIZRCFIM-LOSJGSFVSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224349006	569941475	/nfs/dbraw/zinc/94/14/75/569941475.db2.gz	WRYODMHMZBIFNE-JWQCQUIFSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224348919	569941494	/nfs/dbraw/zinc/94/14/94/569941494.db2.gz	WRYODMHMZBIFNE-RPBOFIJWSA-N	-1	0	469.566	5.779	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224377841	569942520	/nfs/dbraw/zinc/94/25/20/569942520.db2.gz	ZGUPQENNLKQFSN-CLJLJLNGSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224380931	569942609	/nfs/dbraw/zinc/94/26/09/569942609.db2.gz	YUSYYNHXOYWRRI-UIOOFZCWSA-N	-1	0	483.593	6.340	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224380981	569942637	/nfs/dbraw/zinc/94/26/37/569942637.db2.gz	YUSYYNHXOYWRRI-FTJBHMTQSA-N	-1	0	483.593	6.340	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1	ZINC000224382950	569942649	/nfs/dbraw/zinc/94/26/49/569942649.db2.gz	RSGHBLDAJYSCDT-RRPNLBNLSA-N	-1	0	497.620	6.649	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1	ZINC000224382912	569942692	/nfs/dbraw/zinc/94/26/92/569942692.db2.gz	RSGHBLDAJYSCDT-SXOMAYOGSA-N	-1	0	497.620	6.649	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224412283	569943802	/nfs/dbraw/zinc/94/38/02/569943802.db2.gz	KATWRBXEDUBREY-DHIUTWEWSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224446263	569944781	/nfs/dbraw/zinc/94/47/81/569944781.db2.gz	NGNVPECYBCFCFS-GOTSBHOMSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224448338	569944835	/nfs/dbraw/zinc/94/48/35/569944835.db2.gz	KLBKETSHDCTXKT-XZOQPEGZSA-N	-1	0	493.947	6.009	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474130	569945544	/nfs/dbraw/zinc/94/55/44/569945544.db2.gz	ZPYQKUGWHULCOH-PKTZIBPZSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224477088	569945677	/nfs/dbraw/zinc/94/56/77/569945677.db2.gz	OEPNSFHLAPBHIF-DHIUTWEWSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224478966	569945732	/nfs/dbraw/zinc/94/57/32/569945732.db2.gz	YFPNJOKYGRCYRH-BJKOFHAPSA-N	-1	0	489.984	6.179	40	0		JKABRM
O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000224521508	569947097	/nfs/dbraw/zinc/94/70/97/569947097.db2.gz	KUFOODYZCPNPMI-UHFFFAOYSA-N	-1	0	468.884	5.090	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000224537936	569947657	/nfs/dbraw/zinc/94/76/57/569947657.db2.gz	ODBDXMONYUKUHG-QGZVFWFLSA-N	-1	0	456.995	5.503	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224545899	569947931	/nfs/dbraw/zinc/94/79/31/569947931.db2.gz	JZXUIWIQNRSCIR-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000224582075	569949458	/nfs/dbraw/zinc/94/94/58/569949458.db2.gz	XFIOVRPBQVOVGY-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000224582028	569949473	/nfs/dbraw/zinc/94/94/73/569949473.db2.gz	XFIOVRPBQVOVGY-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000224584245	569949588	/nfs/dbraw/zinc/94/95/88/569949588.db2.gz	FNWIEZVOEZVWER-RPBOFIJWSA-N	-1	0	485.565	5.534	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000224584195	569949600	/nfs/dbraw/zinc/94/96/00/569949600.db2.gz	FNWIEZVOEZVWER-DQEYMECFSA-N	-1	0	485.565	5.534	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224619523	569951052	/nfs/dbraw/zinc/95/10/52/569951052.db2.gz	FCEIZCUQYAXAEK-RPWUZVMVSA-N	-1	0	471.538	5.231	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224619973	569951092	/nfs/dbraw/zinc/95/10/92/569951092.db2.gz	ITTHWWWZMNWDEM-PKTZIBPZSA-N	-1	0	491.956	5.576	40	0		JKABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(=O)c3ccc(C(C)(C)C)cc3)c1)CCCC2	ZINC000224800496	569958173	/nfs/dbraw/zinc/95/81/73/569958173.db2.gz	LTJZMKZVXRYHTI-UHFFFAOYSA-N	-1	0	477.626	5.903	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2Cl)c1C	ZINC000224817902	569959033	/nfs/dbraw/zinc/95/90/33/569959033.db2.gz	XADVTYVEZZDKRK-UHFFFAOYSA-N	-1	0	497.067	5.362	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1Cl	ZINC000224869350	569960987	/nfs/dbraw/zinc/96/09/87/569960987.db2.gz	BAOTWCMPQXPJEE-UHFFFAOYSA-N	-1	0	484.883	5.600	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224878843	569961462	/nfs/dbraw/zinc/96/14/62/569961462.db2.gz	ZMJXCLFNFYNEBW-DHIUTWEWSA-N	-1	0	490.972	5.107	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224878780	569961518	/nfs/dbraw/zinc/96/15/18/569961518.db2.gz	OUPSKFBLJWJXTA-GOTSBHOMSA-N	-1	0	490.972	5.107	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881631	569961718	/nfs/dbraw/zinc/96/17/18/569961718.db2.gz	FONLLKZOHIIMFS-PKTZIBPZSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)ccc1F	ZINC000224908064	569962857	/nfs/dbraw/zinc/96/28/57/569962857.db2.gz	REEFFPTYEVANOC-DNQXCXABSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000224908202	569962923	/nfs/dbraw/zinc/96/29/23/569962923.db2.gz	LQCHWFNDPBSFNV-BJKOFHAPSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1F	ZINC000224911263	569963046	/nfs/dbraw/zinc/96/30/46/569963046.db2.gz	KKCNNLJYCMMWBH-RPWUZVMVSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2Cl)c1C	ZINC000224912113	569963111	/nfs/dbraw/zinc/96/31/11/569963111.db2.gz	QMSWNTHDXJKMOQ-UHFFFAOYSA-N	-1	0	484.021	5.610	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1F	ZINC000224912888	569963181	/nfs/dbraw/zinc/96/31/81/569963181.db2.gz	MPBKDPMJMIDNNC-LOSJGSFVSA-N	-1	0	487.556	5.973	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1F	ZINC000224912851	569963191	/nfs/dbraw/zinc/96/31/91/569963191.db2.gz	MPBKDPMJMIDNNC-RPBOFIJWSA-N	-1	0	487.556	5.973	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1	ZINC000224973182	569966276	/nfs/dbraw/zinc/96/62/76/569966276.db2.gz	QZWMGKRYLHZJQP-UHFFFAOYSA-N	-1	0	486.593	5.653	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1NC(=O)c1ccc(C)cc1	ZINC000408596887	569967090	/nfs/dbraw/zinc/96/70/90/569967090.db2.gz	TYJJYZLXWGNEFG-UHFFFAOYSA-N	-1	0	498.910	5.729	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)cc1C	ZINC000408602002	569969391	/nfs/dbraw/zinc/96/93/91/569969391.db2.gz	BLUBZFKCCZJVJW-UHFFFAOYSA-N	-1	0	473.038	5.456	40	0		JKABRM
CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000408603911	569970177	/nfs/dbraw/zinc/97/01/77/569970177.db2.gz	GKEJLPMOHSDOHG-UHFFFAOYSA-N	-1	0	486.977	5.350	40	0		JKABRM
O=C([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1	ZINC000408604538	569970388	/nfs/dbraw/zinc/97/03/88/569970388.db2.gz	DSOSXLBZPMMGDA-UHFFFAOYSA-N	-1	0	481.173	6.645	40	0		JKABRM
O=C([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)c1	ZINC000408607335	569971494	/nfs/dbraw/zinc/97/14/94/569971494.db2.gz	JZZMYXNVESKLKF-UHFFFAOYSA-N	-1	0	462.343	6.492	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	ZINC000408609255	569971984	/nfs/dbraw/zinc/97/19/84/569971984.db2.gz	MQAHTYWGCGKMHC-UHFFFAOYSA-N	-1	0	476.754	6.000	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225052746	569972026	/nfs/dbraw/zinc/97/20/26/569972026.db2.gz	RIMRGXBQOSYTQY-CLJLJLNGSA-N	-1	0	497.624	5.045	40	0		JKABRM
CCn1c2ccccc2c2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)ccc21	ZINC000408609672	569972208	/nfs/dbraw/zinc/97/22/08/569972208.db2.gz	PQGWVOQPBZGKHR-UHFFFAOYSA-N	-1	0	469.566	5.868	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1	ZINC000408610084	569972347	/nfs/dbraw/zinc/97/23/47/569972347.db2.gz	NMNMLBDIJBDWSX-UHFFFAOYSA-N	-1	0	454.910	5.067	40	0		JKABRM
CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc2O1	ZINC000225065155	569973007	/nfs/dbraw/zinc/97/30/07/569973007.db2.gz	IVYJUULREXNZRW-QFIPXVFZSA-N	-1	0	499.032	5.953	40	0		JKABRM
Cc1ccc(NC(=O)COc2ccc(CNc3cccc(C(=O)[O-])c3)cc2Cl)cc1Cl	ZINC000408613496	569973377	/nfs/dbraw/zinc/97/33/77/569973377.db2.gz	UQLAUXROPAXYRS-UHFFFAOYSA-N	-1	0	459.329	5.630	40	0		JKABRM
O=C([O-])c1cccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)c1	ZINC000408613780	569973579	/nfs/dbraw/zinc/97/35/79/569973579.db2.gz	VOTOHBWFHUBNBH-UHFFFAOYSA-N	-1	0	452.337	7.036	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1	ZINC000408614064	569973661	/nfs/dbraw/zinc/97/36/61/569973661.db2.gz	XXNQIROLSGPJKU-UHFFFAOYSA-N	-1	0	454.910	5.067	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)s1)c1ccccc1Cl	ZINC000225108363	569975462	/nfs/dbraw/zinc/97/54/62/569975462.db2.gz	NJGGWYWFWIYSEU-UHFFFAOYSA-N	-1	0	486.962	5.037	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc2Cl)cc1	ZINC000408616784	569975784	/nfs/dbraw/zinc/97/57/84/569975784.db2.gz	CAISKSVXZRPKRR-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2Cl)cc1C	ZINC000408619800	569977518	/nfs/dbraw/zinc/97/75/18/569977518.db2.gz	NOAKHESLBBBHPB-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2cccc(OC)c2)ccc1C	ZINC000225169977	569979776	/nfs/dbraw/zinc/97/97/76/569979776.db2.gz	LQTHFQWEHNMIQA-UHFFFAOYSA-N	-1	0	461.923	5.037	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2Cl)cc1	ZINC000408629962	569981946	/nfs/dbraw/zinc/98/19/46/569981946.db2.gz	LJEXJFGUFMIENT-UHFFFAOYSA-N	-1	0	458.967	5.489	40	0		JKABRM
COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000225198371	569981983	/nfs/dbraw/zinc/98/19/83/569981983.db2.gz	PFJWYLVOYOGEBO-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
CCc1nc(SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408630514	569982281	/nfs/dbraw/zinc/98/22/81/569982281.db2.gz	AWCSQJMSUMHTIF-OCKHKDLRSA-N	-1	0	473.385	5.895	40	0		JKABRM
Cc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])o1	ZINC000408630511	569982289	/nfs/dbraw/zinc/98/22/89/569982289.db2.gz	AVBPRGZIICEIFU-MFOYZWKCSA-N	-1	0	481.755	5.591	40	0		JKABRM
CCc1nc(SC(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)[O-])n[nH]1	ZINC000408630545	569982350	/nfs/dbraw/zinc/98/23/50/569982350.db2.gz	BJQGOVSTUKGMLH-LCYFTJDESA-N	-1	0	452.355	5.092	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[O-])o1	ZINC000408630500	569982355	/nfs/dbraw/zinc/98/23/55/569982355.db2.gz	APCJSODFUNPMSF-PLRJNAJWSA-N	-1	0	493.588	6.975	40	0		JKABRM
Cc1nnc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[O-])o1	ZINC000408630842	569982568	/nfs/dbraw/zinc/98/25/68/569982568.db2.gz	DCTQPCZYBGJSNN-BWAHOGKJSA-N	-1	0	479.561	6.721	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)[O-])o1	ZINC000408630823	569982572	/nfs/dbraw/zinc/98/25/72/569982572.db2.gz	BJLUQEIUZYSSNA-PDGQHHTCSA-N	-1	0	486.958	6.361	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C(C)C)c(OC)cc2C)C(=O)[O-])n[nH]1	ZINC000408630835	569982605	/nfs/dbraw/zinc/98/26/05/569982605.db2.gz	DBHQJAMKFWZZSJ-JMIUGGIZSA-N	-1	0	473.982	5.792	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)[O-])n[nH]1	ZINC000408630930	569982613	/nfs/dbraw/zinc/98/26/13/569982613.db2.gz	DSIOWKQCJJSZPY-WQRHYEAKSA-N	-1	0	464.374	5.861	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)[O-])o1	ZINC000408631343	569982827	/nfs/dbraw/zinc/98/28/27/569982827.db2.gz	HUYYYSAWEMURNU-YVLHZVERSA-N	-1	0	479.327	5.330	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])n[nH]1	ZINC000408631281	569982848	/nfs/dbraw/zinc/98/28/48/569982848.db2.gz	CZTKILMLKCRXKL-ODLFYWEKSA-N	-1	0	488.352	6.265	40	0		JKABRM
CCCc1nc(SC(=Cc2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631365	569982961	/nfs/dbraw/zinc/98/29/61/569982961.db2.gz	HYKCYLKVKYJWIH-BKUYFWCQSA-N	-1	0	450.539	5.426	40	0		JKABRM
CCc1nc(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631428	569982995	/nfs/dbraw/zinc/98/29/95/569982995.db2.gz	ITKCLVHZRRLMQI-JAIQZWGSSA-N	-1	0	487.412	6.203	40	0		JKABRM
CCOc1c(Br)cc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-]	ZINC000408631644	569983084	/nfs/dbraw/zinc/98/30/84/569983084.db2.gz	ADRPCWSTESYIDO-NVNXTCNLSA-N	-1	0	499.180	5.969	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408631717	569983252	/nfs/dbraw/zinc/98/32/52/569983252.db2.gz	BAVZRUXUQVQPJW-QRVIBDJDSA-N	-1	0	460.942	6.702	40	0		JKABRM
CCn1c(S/C(=C\c2cc(Br)c(N(C)C)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631950	569983304	/nfs/dbraw/zinc/98/33/04/569983304.db2.gz	HJDFAHKXGXUYRZ-GDNBJRDFSA-N	-1	0	497.802	5.258	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)Sc1nc2ccccc2[nH]1	ZINC000408631986	569983309	/nfs/dbraw/zinc/98/33/09/569983309.db2.gz	CCNOXCSTLWDGMK-MTJSOVHGSA-N	-1	0	471.365	6.667	40	0		JKABRM
CCc1nc(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631939	569983320	/nfs/dbraw/zinc/98/33/20/569983320.db2.gz	NKSKXUVMEXDUPC-NDENLUEZSA-N	-1	0	452.967	5.550	40	0		JKABRM
COC(=O)c1cccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)c1	ZINC000408631971	569983353	/nfs/dbraw/zinc/98/33/53/569983353.db2.gz	BWHFSQVVYAQWCU-UNOMPAQXSA-N	-1	0	481.917	5.390	40	0		JKABRM
Cc1nnc(S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)[O-])o1	ZINC000408632037	569983449	/nfs/dbraw/zinc/98/34/49/569983449.db2.gz	DZFXRNUBKWATHC-MFOYZWKCSA-N	-1	0	465.300	5.076	40	0		JKABRM
Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])o1	ZINC000408632109	569983465	/nfs/dbraw/zinc/98/34/65/569983465.db2.gz	ZEKKHVPYDLZRGG-JMIUGGIZSA-N	-1	0	474.369	6.214	40	0		JKABRM
CC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cc1	ZINC000408632052	569983474	/nfs/dbraw/zinc/98/34/74/569983474.db2.gz	CXMHGEJTYCINPY-NDENLUEZSA-N	-1	0	465.918	5.806	40	0		JKABRM
CCc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)[O-])o1	ZINC000408632129	569983483	/nfs/dbraw/zinc/98/34/83/569983483.db2.gz	NQQJNZNXPKUVIP-YVLHZVERSA-N	-1	0	451.331	5.736	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000408632172	569983484	/nfs/dbraw/zinc/98/34/84/569983484.db2.gz	OJYVKLJKGXBSEM-GRSHGNNSSA-N	-1	0	495.384	6.134	40	0		JKABRM
O=C([O-])C(=Cc1cccc(OCc2ccc(Cl)cc2)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632073	569983490	/nfs/dbraw/zinc/98/34/90/569983490.db2.gz	DCIGPRAAQIIFAS-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
COc1cccc([C@@H](CC(=O)[O-])NC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)c1	ZINC000225222841	569983507	/nfs/dbraw/zinc/98/35/07/569983507.db2.gz	LRTPPIHUESLXOX-LJQANCHMSA-N	-1	0	474.007	5.397	40	0		JKABRM
CCn1c(S/C(=C\c2cccc(Cl)c2Cl)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408632223	569983569	/nfs/dbraw/zinc/98/35/69/569983569.db2.gz	IBAIFHMWZZJQBZ-GDNBJRDFSA-N	-1	0	454.766	6.143	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2cccc3ccccc32)c1)Sc1nc2ccccc2[nH]1	ZINC000408632312	569983588	/nfs/dbraw/zinc/98/35/88/569983588.db2.gz	DDSBDAZNQMUORC-XYGWBWBKSA-N	-1	0	452.535	6.513	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(N3CCCCCC3)o2)C(=O)[O-])n[nH]1	ZINC000408632192	569983604	/nfs/dbraw/zinc/98/36/04/569983604.db2.gz	OPZFVSGHANVSJF-AQTBWJFISA-N	-1	0	474.970	5.325	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408632281	569983615	/nfs/dbraw/zinc/98/36/15/569983615.db2.gz	PPZGGLDTDJCNFE-JAIQZWGSSA-N	-1	0	487.412	6.285	40	0		JKABRM
O=C([O-])C[C@@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1cccc(Cl)c1	ZINC000225223122	569983667	/nfs/dbraw/zinc/98/36/67/569983667.db2.gz	WHQRWPFZFWJIFR-GOSISDBHSA-N	-1	0	478.426	6.042	40	0		JKABRM
Cc1cc(Br)cc(C)c1NC(=S)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000225224210	569983719	/nfs/dbraw/zinc/98/37/19/569983719.db2.gz	FJPXYRJLYXAICV-OAHLLOKOSA-N	-1	0	476.223	5.875	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000408632396	569983722	/nfs/dbraw/zinc/98/37/22/569983722.db2.gz	FLZYOEGVWGXXOW-UCQKPKSFSA-N	-1	0	465.502	6.162	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)Sc1nc2ccccc2o1	ZINC000408632650	569983860	/nfs/dbraw/zinc/98/38/60/569983860.db2.gz	GJCDONINDBQTAB-MTJSOVHGSA-N	-1	0	472.349	6.931	40	0		JKABRM
CCn1c(S/C(=C\c2c(OC)ccc3ccccc32)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408632549	569983942	/nfs/dbraw/zinc/98/39/42/569983942.db2.gz	JNYCEUMZYUZFFZ-HAHDFKILSA-N	-1	0	491.569	5.362	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408632800	569983963	/nfs/dbraw/zinc/98/39/63/569983963.db2.gz	SVGKBUVLLLKSTA-ZDLGFXPLSA-N	-1	0	480.373	5.479	40	0		JKABRM
CCCc1nc(SC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1	ZINC000408632870	569983991	/nfs/dbraw/zinc/98/39/91/569983991.db2.gz	UMRXYMRDVDKHOW-ZDLGFXPLSA-N	-1	0	464.374	5.861	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)Sc1nc2ccccc2[nH]1	ZINC000408632702	569984006	/nfs/dbraw/zinc/98/40/06/569984006.db2.gz	HDDNUYYXGLRJAU-BKUYFWCQSA-N	-1	0	481.371	6.122	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408632694	569984028	/nfs/dbraw/zinc/98/40/28/569984028.db2.gz	HALKPYHUHALVAY-YSMPRRRNSA-N	-1	0	489.593	6.949	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])ccc1OC	ZINC000408632826	569984059	/nfs/dbraw/zinc/98/40/59/569984059.db2.gz	KRCCDRFACFVGAY-ZDLGFXPLSA-N	-1	0	462.911	5.024	40	0		JKABRM
CC(=O)c1ccc(-c2ccc(C=C(Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cc1	ZINC000408633006	569984164	/nfs/dbraw/zinc/98/41/64/569984164.db2.gz	IUVFJAVLGCZYTB-NDENLUEZSA-N	-1	0	466.902	6.070	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408632985	569984177	/nfs/dbraw/zinc/98/41/77/569984177.db2.gz	IMSYZKLMZTYKLL-UCQKPKSFSA-N	-1	0	480.973	6.412	40	0		JKABRM
CCn1c(S/C(=C\c2c(C)n(C)c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633367	569984439	/nfs/dbraw/zinc/98/44/39/569984439.db2.gz	MSGRKRKXAMOFRK-MOSHPQCFSA-N	-1	0	452.967	5.636	40	0		JKABRM
CCc1nnc(S/C(=C\c2c(OCc3ccccc3F)ccc3ccccc32)C(=O)[O-])o1	ZINC000408633529	569984565	/nfs/dbraw/zinc/98/45/65/569984565.db2.gz	ZMQULQFTXQRJCZ-BKUYFWCQSA-N	-1	0	450.491	5.721	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408633639	569984683	/nfs/dbraw/zinc/98/46/83/569984683.db2.gz	LDELOPQLZSNDBU-QQXSKIMKSA-N	-1	0	482.561	6.522	40	0		JKABRM
O=C([O-])C(=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408633611	569984685	/nfs/dbraw/zinc/98/46/85/569984685.db2.gz	KVJCHQDIOFGBTM-BOPFTXTBSA-N	-1	0	495.973	5.963	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cccn3-c3ccc(Cl)cc3)C(=O)[O-])n[nH]2)c1	ZINC000408633621	569984717	/nfs/dbraw/zinc/98/47/17/569984717.db2.gz	OFFMLLUOHGSRLF-NDENLUEZSA-N	-1	0	482.949	5.151	40	0		JKABRM
CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2cc(OC)cc(OC)c2)o1)C(=O)[O-]	ZINC000408633676	569984722	/nfs/dbraw/zinc/98/47/22/569984722.db2.gz	OMOPKLWESRZZDM-ZDLGFXPLSA-N	-1	0	462.911	5.024	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Br)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633944	569984791	/nfs/dbraw/zinc/98/47/91/569984791.db2.gz	OBCUWZFNMLIBQY-WJDWOHSUSA-N	-1	0	464.772	5.599	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408633876	569984801	/nfs/dbraw/zinc/98/48/01/569984801.db2.gz	MRABWGFSQAEFIP-PKAZHMFMSA-N	-1	0	497.572	7.177	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408633879	569984835	/nfs/dbraw/zinc/98/48/35/569984835.db2.gz	QFUHGXMNNUXNFH-ODLFYWEKSA-N	-1	0	489.336	6.530	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)Sc1nc2ccccc2o1	ZINC000408633812	569984837	/nfs/dbraw/zinc/98/48/37/569984837.db2.gz	MBLYLSQGXALAHZ-MTJSOVHGSA-N	-1	0	455.894	6.417	40	0		JKABRM
CCn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])c2ccccc21	ZINC000408634038	569984900	/nfs/dbraw/zinc/98/49/00/569984900.db2.gz	RGKAPJIVJKGXRJ-MOSHPQCFSA-N	-1	0	452.967	5.811	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc(Cl)c1OC	ZINC000408634048	569984925	/nfs/dbraw/zinc/98/49/25/569984925.db2.gz	RJNWCPBBIIUTPT-LSCVHKIXSA-N	-1	0	492.937	5.032	40	0		JKABRM
CCn1c(S/C(=C/c2ccc(OC)c(Cl)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633991	569984946	/nfs/dbraw/zinc/98/49/46/569984946.db2.gz	QSOFYDPSCUCYNJ-GZTJUZNOSA-N	-1	0	450.347	5.498	40	0		JKABRM
CCn1c(S/C(=C\c2cc3c(cc2Cl)OCO3)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634023	569984955	/nfs/dbraw/zinc/98/49/55/569984955.db2.gz	RCBHCFYCFAFDCA-IUXPMGMMSA-N	-1	0	464.330	5.218	40	0		JKABRM
O=C([O-])/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408634558	569985167	/nfs/dbraw/zinc/98/51/67/569985167.db2.gz	RPHYPRPUXINZRV-UCQKPKSFSA-N	-1	0	468.538	5.374	40	0		JKABRM
O=C([O-])C(=Cc1cccc(OCc2ccccc2Cl)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634430	569985169	/nfs/dbraw/zinc/98/51/69/569985169.db2.gz	RCPMKAFKIMRSDR-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
Cc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br	ZINC000408634403	569985173	/nfs/dbraw/zinc/98/51/73/569985173.db2.gz	QTPMKNFTXOBVBF-DHDCSXOGSA-N	-1	0	451.729	5.679	40	0		JKABRM
CCn1c(S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634439	569985175	/nfs/dbraw/zinc/98/51/75/569985175.db2.gz	RGECEEONIYNLLI-KQWNVCNZSA-N	-1	0	492.000	6.415	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)c(Sc2ccccc2)o1)Sc1nc2ccccc2o1	ZINC000408634630	569985242	/nfs/dbraw/zinc/98/52/42/569985242.db2.gz	SQUBNIJEFJKVDX-BOPFTXTBSA-N	-1	0	474.357	6.552	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc12	ZINC000408634631	569985243	/nfs/dbraw/zinc/98/52/43/569985243.db2.gz	SRRRFIPIUBHDCR-MOSHPQCFSA-N	-1	0	452.919	6.160	40	0		JKABRM
O=C([O-])C(=Cc1ccc(Sc2ccc(Cl)cc2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634628	569985263	/nfs/dbraw/zinc/98/52/63/569985263.db2.gz	SPVWVLVULAJORD-BOPFTXTBSA-N	-1	0	490.393	6.741	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2o1	ZINC000408634821	569985382	/nfs/dbraw/zinc/98/53/82/569985382.db2.gz	VCXNBJVFQAYRPZ-MTJSOVHGSA-N	-1	0	472.349	6.931	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(C)c(Br)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634829	569985414	/nfs/dbraw/zinc/98/54/14/569985414.db2.gz	VGNGDOPMRSGXMU-BOPFTXTBSA-N	-1	0	478.799	5.907	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408635168	569985496	/nfs/dbraw/zinc/98/54/96/569985496.db2.gz	XMMVRXOICNWCDI-ZDLGFXPLSA-N	-1	0	492.771	6.910	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(I)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635211	569985500	/nfs/dbraw/zinc/98/55/00/569985500.db2.gz	YENSOVGKQDZWOH-ZROIWOOFSA-N	-1	0	484.702	5.212	40	0		JKABRM
Cc1ccc(COc2ccc(Br)cc2/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1	ZINC000408635318	569985653	/nfs/dbraw/zinc/98/56/53/569985653.db2.gz	ZEVDUCNBJAHZSD-XKZIYDEJSA-N	-1	0	496.382	6.696	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1	ZINC000408636682	569986988	/nfs/dbraw/zinc/98/69/88/569986988.db2.gz	STNAGYASCCCLKY-UHFFFAOYSA-N	-1	0	494.491	5.084	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCCCC1	ZINC000408636942	569987097	/nfs/dbraw/zinc/98/70/97/569987097.db2.gz	WNWYUEHGQBKJAT-UHFFFAOYSA-N	-1	0	450.560	5.214	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cccc3ccccc32)s1)c1ccc(Cl)cc1Cl	ZINC000225278912	569987791	/nfs/dbraw/zinc/98/77/91/569987791.db2.gz	NJECBSCQJIVLDJ-UHFFFAOYSA-N	-1	0	479.370	5.051	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000225352544	569992363	/nfs/dbraw/zinc/99/23/63/569992363.db2.gz	FARJJQSECGTHHJ-UIOOFZCWSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000225352385	569992387	/nfs/dbraw/zinc/99/23/87/569992387.db2.gz	MZSWSCIHXGGHBU-UIOOFZCWSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000225355270	569992552	/nfs/dbraw/zinc/99/25/52/569992552.db2.gz	XPBYSLBFEKFSII-CLJLJLNGSA-N	-1	0	499.592	6.004	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000225355196	569992593	/nfs/dbraw/zinc/99/25/93/569992593.db2.gz	XPBYSLBFEKFSII-FTJBHMTQSA-N	-1	0	499.592	6.004	40	0		JKABRM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)ccc1Cl	ZINC000408651170	569994132	/nfs/dbraw/zinc/99/41/32/569994132.db2.gz	GQYOAZPCDIADJK-JSZXIJHASA-N	-1	0	498.749	5.136	40	0		JKABRM
CCC1(CC)C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c2ccccc2O1	ZINC000225542278	570004206	/nfs/dbraw/zinc/00/42/06/570004206.db2.gz	AMWJBBZZEFQMRT-HXUWFJFHSA-N	-1	0	470.616	5.361	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC)c(C)c1	ZINC000225638065	570011428	/nfs/dbraw/zinc/01/14/28/570011428.db2.gz	HNFHAJCZEIKQMM-OAQYLSRUSA-N	-1	0	472.994	5.339	40	0		JKABRM
COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000225644202	570011922	/nfs/dbraw/zinc/01/19/22/570011922.db2.gz	VIROCXCAJGZQSF-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000408679889	570011968	/nfs/dbraw/zinc/01/19/68/570011968.db2.gz	MKECLGWOAFGHHM-FQEVSTJZSA-N	-1	0	497.375	5.729	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2Cl)c1C	ZINC000225659987	570013069	/nfs/dbraw/zinc/01/30/69/570013069.db2.gz	JPTXSJNTCBEZDL-UHFFFAOYSA-N	-1	0	471.022	5.509	40	0		JKABRM
COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc2c1	ZINC000225716500	570017086	/nfs/dbraw/zinc/01/70/86/570017086.db2.gz	ONPFQGGTOGNEAV-GOSISDBHSA-N	-1	0	460.555	5.140	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2Cl)c(C)c1	ZINC000225844587	570024454	/nfs/dbraw/zinc/02/44/54/570024454.db2.gz	PIXGMTTVELMPGH-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1	ZINC000408748473	570033275	/nfs/dbraw/zinc/03/32/75/570033275.db2.gz	ATBJIHSXXSXJFC-HUUCEWRRSA-N	-1	0	495.453	6.725	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1	ZINC000408748474	570033305	/nfs/dbraw/zinc/03/33/05/570033305.db2.gz	ATBJIHSXXSXJFC-LSDHHAIUSA-N	-1	0	495.453	6.725	40	0		JKABRM
Cc1cc(C)c(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749382	570033563	/nfs/dbraw/zinc/03/35/63/570033563.db2.gz	GLSUMPOARUKEFR-OALUTQOASA-N	-1	0	468.644	6.343	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1	ZINC000408749698	570033679	/nfs/dbraw/zinc/03/36/79/570033679.db2.gz	IWIGLFAKJJWKJJ-SJORKVTESA-N	-1	0	489.018	5.754	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749823	570033782	/nfs/dbraw/zinc/03/37/82/570033782.db2.gz	JCLIPMRRULUYOK-ROUUACIJSA-N	-1	0	497.642	5.473	40	0		JKABRM
O=C([O-])c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)cc1	ZINC000408749858	570033793	/nfs/dbraw/zinc/03/37/93/570033793.db2.gz	JQBHDFQVXJWVBT-UHFFFAOYSA-N	-1	0	454.960	6.193	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1	ZINC000408749942	570033858	/nfs/dbraw/zinc/03/38/58/570033858.db2.gz	KALRIJRYNQORJY-ROUUACIJSA-N	-1	0	483.615	5.165	40	0		JKABRM
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2s1	ZINC000408750896	570034197	/nfs/dbraw/zinc/03/41/97/570034197.db2.gz	TUWOAHSWSRERFW-ZWKOTPCHSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2s1	ZINC000408750895	570034204	/nfs/dbraw/zinc/03/42/04/570034204.db2.gz	TUWOAHSWSRERFW-ROUUACIJSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408751023	570034214	/nfs/dbraw/zinc/03/42/14/570034214.db2.gz	VMSBYLGZMOPGIM-QZTJIDSGSA-N	-1	0	483.615	5.165	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1	ZINC000408750899	570034215	/nfs/dbraw/zinc/03/42/15/570034215.db2.gz	TVYCLQGIHKUZFP-UHFFFAOYSA-N	-1	0	489.405	6.846	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408751101	570034303	/nfs/dbraw/zinc/03/43/03/570034303.db2.gz	WKTYMYRGOSOJMS-SJORKVTESA-N	-1	0	461.008	6.072	40	0		JKABRM
O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cc(Cl)c(Cl)cc1Cl	ZINC000226856010	570038962	/nfs/dbraw/zinc/03/89/62/570038962.db2.gz	KJYPPYRYFIJQAI-UHFFFAOYSA-N	-1	0	497.614	7.547	40	0		JKABRM
O=S(=O)([N-]c1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cc(Cl)ccc1Cl	ZINC000226855670	570038965	/nfs/dbraw/zinc/03/89/65/570038965.db2.gz	ZXPHLNGWDLPOSI-UHFFFAOYSA-N	-1	0	463.169	6.893	40	0		JKABRM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)ccc1Cl	ZINC000226856423	570039085	/nfs/dbraw/zinc/03/90/85/570039085.db2.gz	FKWLWJVVKKRTMS-UHFFFAOYSA-N	-1	0	472.733	5.938	40	0		JKABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1	ZINC000226857707	570039093	/nfs/dbraw/zinc/03/90/93/570039093.db2.gz	ZBPPKTOAAJCIAA-UHFFFAOYSA-N	-1	0	452.315	5.593	40	0		JKABRM
O=S(=O)([N-]c1ccc(Br)cc1C(F)(F)F)c1ccc(Br)cc1	ZINC000228955432	570040390	/nfs/dbraw/zinc/04/03/90/570040390.db2.gz	XWZVUZZCRXNQTF-UHFFFAOYSA-N	-1	0	459.081	5.031	40	0		JKABRM
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1	ZINC000408800426	570045249	/nfs/dbraw/zinc/04/52/49/570045249.db2.gz	PFPDCNCIKNMQHW-UHFFFAOYSA-N	-1	0	490.344	5.723	40	0		JKABRM
CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408802177	570046023	/nfs/dbraw/zinc/04/60/23/570046023.db2.gz	YIFYKUQVTKBCMU-OPHWXPLVSA-N	-1	0	495.621	5.603	40	0		JKABRM
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408803095	570046535	/nfs/dbraw/zinc/04/65/35/570046535.db2.gz	LEUFGAZJWQZXCU-SSMAJGOSSA-N	-1	0	451.568	5.204	40	0		JKABRM
COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408803587	570046608	/nfs/dbraw/zinc/04/66/08/570046608.db2.gz	QUTZUSGBBRJVBD-QRAQQQEWSA-N	-1	0	481.594	5.213	40	0		JKABRM
O=C([O-])c1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1	ZINC000236464653	570046919	/nfs/dbraw/zinc/04/69/19/570046919.db2.gz	OJQRNOSERORQNP-UHFFFAOYSA-N	-1	0	464.935	5.251	40	0		JKABRM
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1Nc1ccccc1	ZINC000408817516	570050913	/nfs/dbraw/zinc/05/09/13/570050913.db2.gz	VTPMLNSXVATPCE-MLDXBRNASA-N	-1	0	451.568	5.204	40	0		JKABRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408819257	570051528	/nfs/dbraw/zinc/05/15/28/570051528.db2.gz	YUMQYFPJVXYNQO-XDQGBWCSSA-N	-1	0	465.595	5.594	40	0		JKABRM
CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O	ZINC000408819279	570051530	/nfs/dbraw/zinc/05/15/30/570051530.db2.gz	PSOJESAGUIURLE-NVNXTCNLSA-N	-1	0	482.739	5.046	40	0		JKABRM
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408819255	570051555	/nfs/dbraw/zinc/05/15/55/570051555.db2.gz	YUMQYFPJVXYNQO-GXEQYHJJSA-N	-1	0	465.595	5.594	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000408866975	570058366	/nfs/dbraw/zinc/05/83/66/570058366.db2.gz	IQBRDWMSWFKRBV-XKZIYDEJSA-N	-1	0	479.941	5.854	40	0		JKABRM
O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1cccc(C(F)(F)F)c1	ZINC000408870553	570059502	/nfs/dbraw/zinc/05/95/02/570059502.db2.gz	GHMWLLQOIOEHGJ-NSIKDUERSA-N	-1	0	491.274	5.393	40	0		JKABRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000408879226	570062400	/nfs/dbraw/zinc/06/24/00/570062400.db2.gz	BJZNUZOEHOZHMV-MFOYZWKCSA-N	-1	0	482.341	5.092	40	0		JKABRM
O=C([O-])Cc1sc(Nc2ccc(I)cc2)nc1-c1ccc(Cl)cc1	ZINC000408881441	570062914	/nfs/dbraw/zinc/06/29/14/570062914.db2.gz	NCROFSIBZIDOOG-UHFFFAOYSA-N	-1	0	470.719	5.439	40	0		JKABRM
O=C([O-])Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000408886063	570064549	/nfs/dbraw/zinc/06/45/49/570064549.db2.gz	HRIMVUAUWDNSGO-UHFFFAOYSA-N	-1	0	471.365	7.280	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1	ZINC000408924321	570078138	/nfs/dbraw/zinc/07/81/38/570078138.db2.gz	GTBQLYBETQOPSB-UHFFFAOYSA-N	-1	0	484.643	5.293	40	0		JKABRM
COc1ccc2c(Cl)c(C(=O)Nn3c(CCC(=O)[O-])ccc3-c3ccccc3)sc2c1Cl	ZINC000408970726	570088720	/nfs/dbraw/zinc/08/87/20/570088720.db2.gz	CQPWOPLCYMNOTB-UHFFFAOYSA-N	-1	0	489.380	6.086	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1	ZINC000408983490	570091473	/nfs/dbraw/zinc/09/14/73/570091473.db2.gz	KQNFLVFREQETMD-UHFFFAOYSA-N	-1	0	497.985	5.631	40	0		JKABRM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N=C(SCc2ccc(C(=O)[O-])cc2)N1	ZINC000408985953	570092203	/nfs/dbraw/zinc/09/22/03/570092203.db2.gz	BNCIYVSEOUPOAY-HSZRJFAPSA-N	-1	0	457.555	5.231	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)[O-])cc4[C@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408989924	570093641	/nfs/dbraw/zinc/09/36/41/570093641.db2.gz	JJYLZWJAVYPGBJ-NNFJYWIMSA-N	-1	0	461.561	6.743	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)N2	ZINC000408993474	570094876	/nfs/dbraw/zinc/09/48/76/570094876.db2.gz	DGCCEPFIMKLMNZ-RZDMPUFOSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	ZINC000408994591	570095174	/nfs/dbraw/zinc/09/51/74/570095174.db2.gz	GSBXBJIZSVDZMP-MQNAVGNWSA-N	-1	0	464.315	5.347	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1Cc3ccccc3[C@@H]21	ZINC000409000993	570096339	/nfs/dbraw/zinc/09/63/39/570096339.db2.gz	ZOUZMWMEIJJIQY-HZFUHODCSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1Cc3ccccc3[C@@H]21	ZINC000409000930	570096341	/nfs/dbraw/zinc/09/63/41/570096341.db2.gz	NYONPUUOAQJZKU-RZDMPUFOSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1Cc3ccccc3[C@H]21	ZINC000409000999	570096342	/nfs/dbraw/zinc/09/63/42/570096342.db2.gz	ZOUZMWMEIJJIQY-UPRLRBBYSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002154	570096595	/nfs/dbraw/zinc/09/65/95/570096595.db2.gz	YIYTWJGHSPVQCP-FMYROPPKSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2Cl)cc1	ZINC000409008004	570098489	/nfs/dbraw/zinc/09/84/89/570098489.db2.gz	UHQGKGBIITYBTE-HAHDFKILSA-N	-1	0	493.968	5.896	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1CCc1ccccc1	ZINC000409008531	570098761	/nfs/dbraw/zinc/09/87/61/570098761.db2.gz	ZSOWNGTYXIKLSH-GDNBJRDFSA-N	-1	0	483.181	5.196	40	0		JKABRM
CCC[C@H]1CC[C@H](c2ccc([C@@H]3CCCC[C@@]3(C(=O)[O-])[C@H]3CC[C@H](CCC)CC3)cc2)CC1	ZINC000255003869	570106387	/nfs/dbraw/zinc/10/63/87/570106387.db2.gz	DEFWTKBSRYXQMS-MFYHMQLYSA-N	-1	0	452.723	9.096	40	0		JKABRM
CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000256411154	570107119	/nfs/dbraw/zinc/10/71/19/570107119.db2.gz	DGRKFKQXESLUJC-WRPZTAAFSA-N	-1	0	496.732	7.747	40	0		JKABRM
CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000256411139	570107170	/nfs/dbraw/zinc/10/71/70/570107170.db2.gz	DGRKFKQXESLUJC-JHKUEFSRSA-N	-1	0	496.732	7.747	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCC(=O)[O-])Cc3cccc(Cl)c3)ccc2O1	ZINC000257200591	570107856	/nfs/dbraw/zinc/10/78/56/570107856.db2.gz	ADYWLRNDMTYNNM-MUUNZHRXSA-N	-1	0	495.978	5.461	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257206805	570110015	/nfs/dbraw/zinc/11/00/15/570110015.db2.gz	BEXXIYVOAPTEEG-NDEPHWFRSA-N	-1	0	495.978	5.575	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(Br)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257207435	570110155	/nfs/dbraw/zinc/11/01/55/570110155.db2.gz	BHSKXOUBCNSIAN-VWPQPMDRSA-N	-1	0	496.785	5.054	40	0		JKABRM
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1	ZINC000409053785	570110889	/nfs/dbraw/zinc/11/08/89/570110889.db2.gz	PLMQDAPSCWKTIA-QRVIBDJDSA-N	-1	0	493.968	6.162	40	0		JKABRM
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c(OCC(=O)[O-])c1	ZINC000257209852	570110962	/nfs/dbraw/zinc/11/09/62/570110962.db2.gz	BSEFZLGYZPYMFR-UHFFFAOYSA-N	-1	0	469.324	5.985	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)ccc2O1	ZINC000257210219	570111088	/nfs/dbraw/zinc/11/10/88/570111088.db2.gz	BTRKNZMXLIMBTF-NDEPHWFRSA-N	-1	0	477.988	5.436	40	0		JKABRM
C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN3C(=O)Cc3cccc(Cl)c3)C[C@H]21	ZINC000257210838	570111316	/nfs/dbraw/zinc/11/13/16/570111316.db2.gz	BWJOUAZNRUYKJE-FBZFJNBBSA-N	-1	0	483.992	5.037	40	0		JKABRM
COc1cccc(CN(Cc2ccccc2)C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])c1OC	ZINC000257211548	570111544	/nfs/dbraw/zinc/11/15/44/570111544.db2.gz	BZHZQNUYZWQKHK-UHFFFAOYSA-N	-1	0	477.557	5.133	40	0		JKABRM
Cc1nc2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)ccc2n1-c1ccccc1	ZINC000257211856	570111591	/nfs/dbraw/zinc/11/15/91/570111591.db2.gz	CATIIYDNBRFJJT-UHFFFAOYSA-N	-1	0	461.949	5.147	40	0		JKABRM
COc1ccccc1-c1cc(-c2cc(C(C)(C)C)ccc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257212130	570111777	/nfs/dbraw/zinc/11/17/77/570111777.db2.gz	CCBBTZBOHBXQOG-UHFFFAOYSA-N	-1	0	484.596	6.229	40	0		JKABRM
COc1cc(CCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc(OC)c1OC	ZINC000257212760	570111889	/nfs/dbraw/zinc/11/18/89/570111889.db2.gz	CEVJTSUZJZVJRO-UHFFFAOYSA-N	-1	0	453.510	5.520	40	0		JKABRM
O=C([O-])CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCCn1c2ccccc2nc1C(F)(F)F	ZINC000257213792	570112134	/nfs/dbraw/zinc/11/21/34/570112134.db2.gz	CJBPEXVUSSAMOQ-UHFFFAOYSA-N	-1	0	488.293	5.256	40	0		JKABRM
COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409057501	570112459	/nfs/dbraw/zinc/11/24/59/570112459.db2.gz	GSKNNCDBMDOKAQ-XKZIYDEJSA-N	-1	0	495.940	5.867	40	0		JKABRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1OCc1cccc(Cl)c1	ZINC000257215328	570112596	/nfs/dbraw/zinc/11/25/96/570112596.db2.gz	CPPSHYCIKMGERS-UHFFFAOYSA-N	-1	0	469.868	5.057	40	0		JKABRM
COc1cccc(C(=O)[O-])c1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)c1ccccc1	ZINC000257215152	570112628	/nfs/dbraw/zinc/11/26/28/570112628.db2.gz	COXRBTFBVVKQIZ-KRWDZBQOSA-N	-1	0	453.922	5.216	40	0		JKABRM
COc1cccc(C(=O)[O-])c1OCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)c1ccccc1	ZINC000257215153	570112629	/nfs/dbraw/zinc/11/26/29/570112629.db2.gz	COXRBTFBVVKQIZ-QGZVFWFLSA-N	-1	0	453.922	5.216	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3cccc(F)c3F)ccc2O1	ZINC000257214957	570112660	/nfs/dbraw/zinc/11/26/60/570112660.db2.gz	COCBHEXITUHDGV-MUUNZHRXSA-N	-1	0	497.513	5.086	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@@](C)(Cc2ccc(Cl)cc2)O3)cc1	ZINC000257215767	570112756	/nfs/dbraw/zinc/11/27/56/570112756.db2.gz	CROKMEPRCCKPJZ-MUUNZHRXSA-N	-1	0	477.988	5.241	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1	ZINC000257217232	570113323	/nfs/dbraw/zinc/11/33/23/570113323.db2.gz	CYDLYTWJEQOXTL-UHFFFAOYSA-N	-1	0	481.379	6.929	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccccc3Cl)ccc2O1	ZINC000257217933	570113460	/nfs/dbraw/zinc/11/34/60/570113460.db2.gz	DBDURYHIEKVWRF-HHHXNRCGSA-N	-1	0	498.406	5.586	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3ccccc3)ccc2O1	ZINC000257218364	570113568	/nfs/dbraw/zinc/11/35/68/570113568.db2.gz	DCWBEDMURITTBO-NDEPHWFRSA-N	-1	0	477.988	5.322	40	0		JKABRM
CC(C)c1ccc(CN(Cc2ccccc2)C(=O)COc2c(Br)cccc2C(=O)[O-])cc1	ZINC000257220441	570114131	/nfs/dbraw/zinc/11/41/31/570114131.db2.gz	DKVRKTQPFUMWCD-UHFFFAOYSA-N	-1	0	496.401	5.879	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257223370	570115025	/nfs/dbraw/zinc/11/50/25/570115025.db2.gz	DXASYACOBQFIMK-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(CC(=O)[O-])ccc3OCC(C)C)nn2CC(C)C)c1OC	ZINC000257223109	570115043	/nfs/dbraw/zinc/11/50/43/570115043.db2.gz	DVXCNRLUCQKNCP-UHFFFAOYSA-N	-1	0	466.578	5.552	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1	ZINC000257227222	570116310	/nfs/dbraw/zinc/11/63/10/570116310.db2.gz	FOEKUKDAIHYTOQ-OAQYLSRUSA-N	-1	0	455.341	5.660	40	0		JKABRM
COc1ccc([C@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C(C)C)ccc3C)n2)c(OC)c1	ZINC000257231028	570117344	/nfs/dbraw/zinc/11/73/44/570117344.db2.gz	GEXHUZIGCPQXPE-XMMPIXPASA-N	-1	0	491.588	5.544	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)N2CCC[C@]23CO[C@H]2c4ccccc4O[C@@](C)(CCC(=O)[O-])[C@@H]2C3)cc1	ZINC000257231757	570117492	/nfs/dbraw/zinc/11/74/92/570117492.db2.gz	GIBGXZIALALESW-KGHIKEGSSA-N	-1	0	491.628	5.753	40	0		JKABRM
CC(C)Cn1nc(-c2cc(CC(=O)[O-])ccc2OCc2cccc(Cl)c2)cc1-c1cccc(F)c1	ZINC000257233652	570118117	/nfs/dbraw/zinc/11/81/17/570118117.db2.gz	GQCZJKBHVNOMBK-UHFFFAOYSA-N	-1	0	492.978	6.872	40	0		JKABRM
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)COc3c(Cl)cccc3C(=O)[O-])cc2c1	ZINC000257233952	570118193	/nfs/dbraw/zinc/11/81/93/570118193.db2.gz	GRMGOYGRJTUQSM-UHFFFAOYSA-N	-1	0	490.943	5.208	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1	ZINC000257238245	570119656	/nfs/dbraw/zinc/11/96/56/570119656.db2.gz	HKCOYGXEVYKVCH-UHFFFAOYSA-N	-1	0	452.551	5.767	40	0		JKABRM
CCCOc1ccccc1-c1ccc(C(=O)[O-])c(COc2ccc(Cc3ccccc3)cc2)n1	ZINC000257247164	570122173	/nfs/dbraw/zinc/12/21/73/570122173.db2.gz	IXTBLQJLVHPSEP-UHFFFAOYSA-N	-1	0	453.538	6.405	40	0		JKABRM
COc1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Br)cc3)ncc2C(=O)[O-])cc1	ZINC000257249386	570123034	/nfs/dbraw/zinc/12/30/34/570123034.db2.gz	JICCDWUQEDPGOE-JOCHJYFZSA-N	-1	0	482.378	5.073	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(F)c(F)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257256161	570124965	/nfs/dbraw/zinc/12/49/65/570124965.db2.gz	KKIKVEKBAZVNRG-UHFFFAOYSA-N	-1	0	478.495	5.600	40	0		JKABRM
C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@H]2OC[C@@]3(CCCN(C(=O)CCC4CCCC4)C3)C[C@@H]21	ZINC000257256537	570125062	/nfs/dbraw/zinc/12/50/62/570125062.db2.gz	KLWWKTOMFKAHSX-AXCRSINUSA-N	-1	0	469.622	5.359	40	0		JKABRM
Cc1cc(OCCc2nc([C@@H]3CCCN3C(=O)CCc3ccccc3)ccc2C(=O)[O-])ccc1Cl	ZINC000257256271	570125100	/nfs/dbraw/zinc/12/51/00/570125100.db2.gz	KKTZBMPIOVKZSF-SANMLTNESA-N	-1	0	493.003	5.659	40	0		JKABRM
Cc1cc(OCCc2nc([C@H]3CCCN3C(=O)CCc3ccccc3)ccc2C(=O)[O-])ccc1Cl	ZINC000257256270	570125152	/nfs/dbraw/zinc/12/51/52/570125152.db2.gz	KKTZBMPIOVKZSF-AREMUKBSSA-N	-1	0	493.003	5.659	40	0		JKABRM
CN(CCCc1nc(N2CCC[C@H]2c2ccc(Br)cc2)ncc1C(=O)[O-])c1ccccc1	ZINC000257256697	570125233	/nfs/dbraw/zinc/12/52/33/570125233.db2.gz	KMMKJZLQLYXYDF-QHCPKHFHSA-N	-1	0	495.421	5.348	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(F)cc3Cl)ccc2O1	ZINC000257263355	570127438	/nfs/dbraw/zinc/12/74/38/570127438.db2.gz	LPMNZQYOBLMHBQ-SANMLTNESA-N	-1	0	485.914	5.282	40	0		JKABRM
Cn1cc(CCCc2nc(N3CCC[C@@H]3c3cccc(F)c3)ncc2C(=O)[O-])c2ccccc21	ZINC000257265856	570128292	/nfs/dbraw/zinc/12/82/92/570128292.db2.gz	MAQMMLNUTJBGSG-XMMPIXPASA-N	-1	0	458.537	5.322	40	0		JKABRM
O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000257267611	570128874	/nfs/dbraw/zinc/12/88/74/570128874.db2.gz	MIAYOGWZRNFFGL-QGZVFWFLSA-N	-1	0	495.601	5.508	40	0		JKABRM
O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)Nc1nc2ccc(Cl)cc2s1	ZINC000257268055	570128953	/nfs/dbraw/zinc/12/89/53/570128953.db2.gz	MKAFRVWFURPWIV-AWEZNQCLSA-N	-1	0	486.018	5.508	40	0		JKABRM
CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)ccc1OC2(C)C	ZINC000257268708	570129250	/nfs/dbraw/zinc/12/92/50/570129250.db2.gz	MMVREXGDIOSWJS-ZNLUXHQJSA-N	-1	0	478.010	5.266	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CC(=O)[O-])Cc4ccccc4)ccc3O2)cc1	ZINC000257268981	570129296	/nfs/dbraw/zinc/12/92/96/570129296.db2.gz	MOAUXWXUVVFXGE-PMERELPUSA-N	-1	0	471.597	5.402	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1CCCc1ccccc1	ZINC000257273145	570130582	/nfs/dbraw/zinc/13/05/82/570130582.db2.gz	NFLJLLALAGYSGX-RUZDIDTESA-N	-1	0	462.977	5.515	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OCc2ccc(Cl)cc2)c1	ZINC000257275481	570131371	/nfs/dbraw/zinc/13/13/71/570131371.db2.gz	NPOXVOGJRVPQOE-UHFFFAOYSA-N	-1	0	472.006	5.644	40	0		JKABRM
CCn1cc(CCc2nc(NCCOc3ccc(C(C)C)cc3)ncc2C(=O)[O-])c2ccccc21	ZINC000257276330	570131478	/nfs/dbraw/zinc/13/14/78/570131478.db2.gz	NTGIMSUMWFSLRL-UHFFFAOYSA-N	-1	0	472.589	5.549	40	0		JKABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(C)cc2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000409110069	570131854	/nfs/dbraw/zinc/13/18/54/570131854.db2.gz	QTLISDMEYGWYFC-UHFFFAOYSA-N	-1	0	461.539	5.900	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Br)cc2)nc1CCc1ccc(F)cc1	ZINC000257278249	570132172	/nfs/dbraw/zinc/13/21/72/570132172.db2.gz	OBMPRQFZLIWJTP-NRFANRHFSA-N	-1	0	470.342	5.203	40	0		JKABRM
CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000409112829	570132797	/nfs/dbraw/zinc/13/27/97/570132797.db2.gz	LWCBXWQACFWQHJ-UHFFFAOYSA-N	-1	0	456.336	5.737	40	0		JKABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)Nc2ccc(C)c(C)c2)c1C	ZINC000409115015	570133613	/nfs/dbraw/zinc/13/36/13/570133613.db2.gz	JNUOSGCGSDGLRH-UHFFFAOYSA-N	-1	0	486.615	5.212	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1	ZINC000257284108	570133834	/nfs/dbraw/zinc/13/38/34/570133834.db2.gz	PBGIIFMVUPNGBR-UHFFFAOYSA-N	-1	0	452.551	5.306	40	0		JKABRM
O=C([O-])CN(Cc1c(F)cccc1Cl)C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257284810	570134046	/nfs/dbraw/zinc/13/40/46/570134046.db2.gz	PEKPKMMHURLLGK-UHFFFAOYSA-N	-1	0	471.960	5.380	40	0		JKABRM
O=C([O-])CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OCc2ccc(F)cc2)c1	ZINC000257285467	570134381	/nfs/dbraw/zinc/13/43/81/570134381.db2.gz	PHDZGTGDWYBNNU-UHFFFAOYSA-N	-1	0	462.304	5.439	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(=O)[O-])ccc2OCC(C)C)O[C@H](c2cccc(Cl)c2)C1	ZINC000257287186	570134782	/nfs/dbraw/zinc/13/47/82/570134782.db2.gz	POWFRZBEWGYXHT-JBRSBNLGSA-N	-1	0	459.970	5.561	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3cccc(F)c3F)ccc2O1	ZINC000257291400	570135961	/nfs/dbraw/zinc/13/59/61/570135961.db2.gz	QGUCUDAXBLIJPY-HHHXNRCGSA-N	-1	0	499.941	5.210	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(C)(C)C)ccc2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257292416	570136272	/nfs/dbraw/zinc/13/62/72/570136272.db2.gz	QLHVHTPLJYXQTF-ZEVJAHDQSA-N	-1	0	457.542	5.074	40	0		JKABRM
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)c(OCC(=O)[O-])c1	ZINC000257292349	570136305	/nfs/dbraw/zinc/13/63/05/570136305.db2.gz	QLBVZYGBDCVCAU-UHFFFAOYSA-N	-1	0	469.324	5.985	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3c(F)cccc3Cl)ccc2O1	ZINC000257298839	570138085	/nfs/dbraw/zinc/13/80/85/570138085.db2.gz	RNLUYPTUXJMUBT-SANMLTNESA-N	-1	0	485.914	5.282	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3c(F)cccc3Cl)ccc2O1	ZINC000257298838	570138115	/nfs/dbraw/zinc/13/81/15/570138115.db2.gz	RNLUYPTUXJMUBT-AREMUKBSSA-N	-1	0	485.914	5.282	40	0		JKABRM
COc1ccc(CCc2nc(N3CCC[C@H]3c3cccc(Br)c3)ncc2C(=O)[O-])cc1	ZINC000257299512	570138275	/nfs/dbraw/zinc/13/82/75/570138275.db2.gz	RQJYEUYWIUMQIY-QFIPXVFZSA-N	-1	0	482.378	5.073	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CCCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257299679	570138306	/nfs/dbraw/zinc/13/83/06/570138306.db2.gz	RRBGCCMAJICWOM-JGCGQSQUSA-N	-1	0	499.651	5.835	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)n1	ZINC000257300957	570138769	/nfs/dbraw/zinc/13/87/69/570138769.db2.gz	RWIZWUSBBIKIFW-UHFFFAOYSA-N	-1	0	478.951	6.894	40	0		JKABRM
CCOc1ccccc1CN(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000257301766	570138966	/nfs/dbraw/zinc/13/89/66/570138966.db2.gz	RZVZXOPVKFLJOY-UHFFFAOYSA-N	-1	0	461.558	5.515	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cccc(-c3ccccc3)c2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257306180	570140126	/nfs/dbraw/zinc/14/01/26/570140126.db2.gz	STFBTTWNWVFPCG-BXTSTYNKSA-N	-1	0	493.987	5.958	40	0		JKABRM
O=C1S/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N1CCCc1ccccc1	ZINC000409132487	570140724	/nfs/dbraw/zinc/14/07/24/570140724.db2.gz	YDOURDYEFFPCDB-LFIBNONCSA-N	-1	0	497.208	5.586	40	0		JKABRM
CC(C)Cc1nc(COc2cccc(Br)c2)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257313838	570142726	/nfs/dbraw/zinc/14/27/26/570142726.db2.gz	UUHLEAKYFRBOPJ-UHFFFAOYSA-N	-1	0	458.327	6.126	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1	ZINC000257314210	570142807	/nfs/dbraw/zinc/14/28/07/570142807.db2.gz	UVUITRUAQHEKJZ-QHCPKHFHSA-N	-1	0	469.368	5.584	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(C(=O)N(CC(=O)[O-])Cc4ccccc4Cl)ccc3O2)cc1	ZINC000257314258	570142831	/nfs/dbraw/zinc/14/28/31/570142831.db2.gz	UWBKMWSNKAMSTK-GDLZYMKVSA-N	-1	0	492.015	6.127	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc32)C1=O	ZINC000409137738	570143113	/nfs/dbraw/zinc/14/31/13/570143113.db2.gz	XIDBCYPDOBJCPD-RGVLZGJSSA-N	-1	0	498.354	5.302	40	0		JKABRM
COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C(=O)[O-])[C@H](C)c2ccccc2)c(OC)c1	ZINC000257316188	570143356	/nfs/dbraw/zinc/14/33/56/570143356.db2.gz	VENLUDVDSAYJTD-QGZVFWFLSA-N	-1	0	483.948	5.224	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000409138760	570143512	/nfs/dbraw/zinc/14/35/12/570143512.db2.gz	HSJBPSCHMMYFDS-QGMBQPNBSA-N	-1	0	482.341	5.092	40	0		JKABRM
C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN3C(=O)c3ccc4ncccc4c3)C[C@H]21	ZINC000257316927	570143689	/nfs/dbraw/zinc/14/36/89/570143689.db2.gz	VHPDVLRLMOCCHK-ACVDBWASSA-N	-1	0	486.568	5.003	40	0		JKABRM
CC(C)c1ccc(OCCNc2ncc(C(=O)[O-])c(CCCc3cn(C)c4ccccc34)n2)cc1	ZINC000257319080	570144256	/nfs/dbraw/zinc/14/42/56/570144256.db2.gz	VQPRCNMKESNREL-UHFFFAOYSA-N	-1	0	472.589	5.456	40	0		JKABRM
COc1cccc([C@@H]2c3ccccc3CCN2c2ncc(C(=O)[O-])c(CCc3ccc(F)cc3)n2)c1	ZINC000257320779	570144585	/nfs/dbraw/zinc/14/45/85/570144585.db2.gz	VYPCIQVVRNKWNT-HHHXNRCGSA-N	-1	0	483.543	5.260	40	0		JKABRM
CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCC[N@H+](Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@@H]21	ZINC000257322205	570145242	/nfs/dbraw/zinc/14/52/42/570145242.db2.gz	WFAGDKUCWBAFEL-FZZWXMEGSA-N	-1	0	471.981	5.085	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257322922	570145366	/nfs/dbraw/zinc/14/53/66/570145366.db2.gz	WIAMOEYUVFERJT-GDLZYMKVSA-N	-1	0	492.015	5.365	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc2c1O[C@@](C)(Cc1ccc(Cl)cc1)C2	ZINC000257323486	570145550	/nfs/dbraw/zinc/14/55/50/570145550.db2.gz	WKKFVXVHYWKTLZ-MHZLTWQESA-N	-1	0	479.960	5.012	40	0		JKABRM
Cc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000257324012	570145691	/nfs/dbraw/zinc/14/56/91/570145691.db2.gz	WMUWCOJHNQFMRV-UHFFFAOYSA-N	-1	0	476.960	5.478	40	0		JKABRM
COc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc2c1O[C@@](C)(Cc1ccc(Cl)cc1)C2	ZINC000257324463	570145777	/nfs/dbraw/zinc/14/57/77/570145777.db2.gz	WOUDBIXEGVDNHF-NDEPHWFRSA-N	-1	0	493.987	5.054	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1cccc2ccccc21	ZINC000409143856	570145857	/nfs/dbraw/zinc/14/58/57/570145857.db2.gz	NSOITRSHLJCDCO-CIAFOILYSA-N	-1	0	497.956	5.592	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@@](C)(Cc2ccc(C(C)C)cc2)O3)cc1	ZINC000257324915	570145912	/nfs/dbraw/zinc/14/59/12/570145912.db2.gz	WQTAUMSMDUDJLR-WJOKGBTCSA-N	-1	0	485.624	5.711	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(C(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257330656	570147864	/nfs/dbraw/zinc/14/78/64/570147864.db2.gz	XPIQHDNQMJQVCZ-MHZLTWQESA-N	-1	0	463.961	5.046	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O	ZINC000409148240	570147991	/nfs/dbraw/zinc/14/79/91/570147991.db2.gz	XVEDXMFCWFUOFQ-RGVLZGJSSA-N	-1	0	453.903	5.193	40	0		JKABRM
O=C1S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1CCCc1ccccc1	ZINC000409148209	570148048	/nfs/dbraw/zinc/14/80/48/570148048.db2.gz	XULSJWCWJNRPFB-MHWRWJLKSA-N	-1	0	497.208	5.586	40	0		JKABRM
CC(C)Oc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@@](C)(Cc2ccccc2F)O3)cc1	ZINC000257333137	570148456	/nfs/dbraw/zinc/14/84/56/570148456.db2.gz	YAHJWHSUBHJEOM-GDLZYMKVSA-N	-1	0	491.559	5.276	40	0		JKABRM
CCOc1ccc(CN(Cc2ccccc2)C(=O)COc2c(Br)cccc2C(=O)[O-])cc1	ZINC000257337112	570149548	/nfs/dbraw/zinc/14/95/48/570149548.db2.gz	YRKYMVVUYAUTAG-UHFFFAOYSA-N	-1	0	498.373	5.154	40	0		JKABRM
CC(C)(C)c1ccc(CN(Cc2ccccc2)C(=O)COc2c(Cl)cccc2C(=O)[O-])cc1	ZINC000257339166	570150070	/nfs/dbraw/zinc/15/00/70/570150070.db2.gz	ZALXQHNWWFCOEN-UHFFFAOYSA-N	-1	0	465.977	5.944	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1	ZINC000257339540	570150303	/nfs/dbraw/zinc/15/03/03/570150303.db2.gz	ZCDZYEWRGOLJCQ-UHFFFAOYSA-N	-1	0	460.961	6.335	40	0		JKABRM
Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)[O-])c(COc2cc(C(C)C)ccc2C)n1	ZINC000257340830	570150549	/nfs/dbraw/zinc/15/05/49/570150549.db2.gz	ZHQYSUZCAANBNG-UHFFFAOYSA-N	-1	0	477.605	6.108	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257340742	570150567	/nfs/dbraw/zinc/15/05/67/570150567.db2.gz	ZHIZIWHIZFEMJH-PMERELPUSA-N	-1	0	471.597	5.102	40	0		JKABRM
O=C([O-])CN(Cc1ccc(Br)cc1F)C(=O)c1cccc(OCc2cccc(F)c2)c1	ZINC000257341531	570150902	/nfs/dbraw/zinc/15/09/02/570150902.db2.gz	ZKSZASSXWCNJCW-UHFFFAOYSA-N	-1	0	490.300	5.033	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc2c1O[C@@](C)(Cc1ccc(Cl)c(F)c1)C2	ZINC000257343524	570151447	/nfs/dbraw/zinc/15/14/47/570151447.db2.gz	ZTIVWPNXAAGLJN-MHZLTWQESA-N	-1	0	497.950	5.151	40	0		JKABRM
O=C([O-])c1cccc(Br)c1OCC(=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1	ZINC000257344346	570151698	/nfs/dbraw/zinc/15/16/98/570151698.db2.gz	ZWULITMAJDNBJC-UHFFFAOYSA-N	-1	0	488.765	5.409	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000257415566	570153995	/nfs/dbraw/zinc/15/39/95/570153995.db2.gz	FIWGZIBLJWZUEA-XTJWVAQHSA-N	-1	0	498.748	8.115	40	0	endogenous,in-man	JKABRM
Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000409175972	570156933	/nfs/dbraw/zinc/15/69/33/570156933.db2.gz	GMTVPBBJTZCAPD-GDLZYMKVSA-N	-1	0	478.548	5.824	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)N21	ZINC000260762787	570157126	/nfs/dbraw/zinc/15/71/26/570157126.db2.gz	HKQZESGGPCZAKD-QDSKXPNFSA-N	-1	0	459.571	5.338	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)c([O-])c(I)c3)N21	ZINC000260777743	570157781	/nfs/dbraw/zinc/15/77/81/570157781.db2.gz	QPYSRKPVSHEWSD-LYRGGWFBSA-N	-1	0	485.778	5.025	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)c([O-])c(I)c3)N21	ZINC000260777775	570157794	/nfs/dbraw/zinc/15/77/94/570157794.db2.gz	QPYSRKPVSHEWSD-RLCCDNCMSA-N	-1	0	485.778	5.025	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)N21	ZINC000260777612	570157797	/nfs/dbraw/zinc/15/77/97/570157797.db2.gz	QDKADQGGDWOSRE-OREJSRFESA-N	-1	0	453.951	5.673	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(Cl)c1Cl	ZINC000409181194	570159279	/nfs/dbraw/zinc/15/92/79/570159279.db2.gz	YVQARQQJRFMOCF-AWEZNQCLSA-N	-1	0	479.385	5.294	40	0		JKABRM
Cc1nnc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])[nH]1	ZINC000409188297	570161136	/nfs/dbraw/zinc/16/11/36/570161136.db2.gz	FXIDPFUKPNJLNP-IUXPMGMMSA-N	-1	0	470.765	5.870	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000409188853	570161255	/nfs/dbraw/zinc/16/12/55/570161255.db2.gz	GXHINNPZZXDRCJ-FYJGNVAPSA-N	-1	0	465.914	5.858	40	0		JKABRM
Cc1nnc(SC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])[nH]1	ZINC000409190134	570161629	/nfs/dbraw/zinc/16/16/29/570161629.db2.gz	LFACQGUZHUMRNG-MTJSOVHGSA-N	-1	0	451.935	5.717	40	0		JKABRM
CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000409191021	570161826	/nfs/dbraw/zinc/16/18/26/570161826.db2.gz	YQRVDAABOHFCND-UCQKPKSFSA-N	-1	0	461.543	5.462	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409192970	570162515	/nfs/dbraw/zinc/16/25/15/570162515.db2.gz	GRUBMXCAKHZBGV-CXUHLZMHSA-N	-1	0	468.314	5.096	40	0		JKABRM
Cc1nnc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])[nH]1	ZINC000409195504	570163392	/nfs/dbraw/zinc/16/33/92/570163392.db2.gz	VWENSACSOLJBPR-IDUWFGFVSA-N	-1	0	470.765	5.870	40	0		JKABRM
O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000409203413	570166366	/nfs/dbraw/zinc/16/63/66/570166366.db2.gz	XVLPFPSVXLRQFI-MKMNVTDBSA-N	-1	0	458.706	5.351	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl	ZINC000409209881	570169160	/nfs/dbraw/zinc/16/91/60/570169160.db2.gz	GPFMJVHHWYUEDS-VCHYOVAHSA-N	-1	0	460.294	6.193	40	0		JKABRM
[O-]c1c(Cl)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CC3)n2)cc1Cl	ZINC000328963066	570179592	/nfs/dbraw/zinc/17/95/92/570179592.db2.gz	BMKAARHALNHMRW-UHFFFAOYSA-N	-1	0	471.266	5.216	40	0		JKABRM
Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C2=O)c1	ZINC000409237825	570180620	/nfs/dbraw/zinc/18/06/20/570180620.db2.gz	XLTCVSAHEZVKSS-WGOQTCKBSA-N	-1	0	492.531	5.518	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000409237875	570180665	/nfs/dbraw/zinc/18/06/65/570180665.db2.gz	KDRYZFVHDZUAKT-BUVRLJJBSA-N	-1	0	498.922	5.868	40	0		JKABRM
Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408541359	570191638	/nfs/dbraw/zinc/19/16/38/570191638.db2.gz	CKHUZXNQXQDLCB-FMCGGJTJSA-N	-1	0	472.522	5.526	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2Cl)c(C)c1	ZINC000408542837	570192016	/nfs/dbraw/zinc/19/20/16/570192016.db2.gz	AWQXAFUHWYUQSN-UHFFFAOYSA-N	-1	0	479.023	5.014	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1Cl	ZINC000408544093	570192202	/nfs/dbraw/zinc/19/22/02/570192202.db2.gz	HDDKBUBRMSHYBS-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c1	ZINC000408543911	570192240	/nfs/dbraw/zinc/19/22/40/570192240.db2.gz	FZYZKTILJPUKPO-UHFFFAOYSA-N	-1	0	491.012	6.677	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Cl)c(C)c1	ZINC000408544676	570192544	/nfs/dbraw/zinc/19/25/44/570192544.db2.gz	ILLWTRSKMACISV-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)cc1	ZINC000408545344	570192835	/nfs/dbraw/zinc/19/28/35/570192835.db2.gz	KRQUEXPXKIVXOL-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408545319	570192837	/nfs/dbraw/zinc/19/28/37/570192837.db2.gz	KICILWPAOSYMMS-UHFFFAOYSA-N	-1	0	460.580	5.891	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1	ZINC000408545893	570193051	/nfs/dbraw/zinc/19/30/51/570193051.db2.gz	PHOMZAJAQOEUEO-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2Cl)c1	ZINC000408545775	570193064	/nfs/dbraw/zinc/19/30/64/570193064.db2.gz	OEFCLWJCGRVDRN-UHFFFAOYSA-N	-1	0	479.023	5.014	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)cc1	ZINC000408546843	570193520	/nfs/dbraw/zinc/19/35/20/570193520.db2.gz	WLEHIWILFREWER-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)cc1C	ZINC000408546875	570193560	/nfs/dbraw/zinc/19/35/60/570193560.db2.gz	HBIBNBBPWBJDCA-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1	ZINC000408547368	570193708	/nfs/dbraw/zinc/19/37/08/570193708.db2.gz	IWZRONIHIBAANO-UHFFFAOYSA-N	-1	0	471.022	6.135	40	0		JKABRM
O=C(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408547679	570193787	/nfs/dbraw/zinc/19/37/87/570193787.db2.gz	LEAZFYMOCVRRDO-UHFFFAOYSA-N	-1	0	486.637	6.279	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)c1	ZINC000408547896	570193933	/nfs/dbraw/zinc/19/39/33/570193933.db2.gz	OJKLOPASJDZBPD-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)c1C	ZINC000408547963	570194089	/nfs/dbraw/zinc/19/40/89/570194089.db2.gz	PDXWIAFBSZECRQ-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccc(SCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000408548475	570194183	/nfs/dbraw/zinc/19/41/83/570194183.db2.gz	SMUPGDYMPMLZJN-UHFFFAOYSA-N	-1	0	489.062	5.588	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)NC1CCCCC1	ZINC000408555699	570196936	/nfs/dbraw/zinc/19/69/36/570196936.db2.gz	FRVJTIWEAPMLSF-UHFFFAOYSA-N	-1	0	480.655	6.010	40	0		JKABRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1	ZINC000408557296	570198081	/nfs/dbraw/zinc/19/80/81/570198081.db2.gz	GJQSBCJKUPKGHM-UHFFFAOYSA-N	-1	0	481.357	5.064	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2Cl)c1	ZINC000408579605	570206438	/nfs/dbraw/zinc/20/64/38/570206438.db2.gz	IMPVMBQRPLGYHR-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
O=C([O-])c1ccc(CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)cc1	ZINC000408582040	570206866	/nfs/dbraw/zinc/20/68/66/570206866.db2.gz	LINMUNDLAIBFTM-UHFFFAOYSA-N	-1	0	469.282	5.915	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1)N1CCCCC1	ZINC000408586127	570208092	/nfs/dbraw/zinc/20/80/92/570208092.db2.gz	AJBKCZUSRDPLKS-UHFFFAOYSA-N	-1	0	451.548	5.298	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1NC(=O)c1ccccc1	ZINC000408590905	570209129	/nfs/dbraw/zinc/20/91/29/570209129.db2.gz	GZQDFUDHUFOQMU-UHFFFAOYSA-N	-1	0	484.883	5.421	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@]1(C)O	ZINC000257808146	571860990	/nfs/dbraw/zinc/86/09/90/571860990.db2.gz	ZZTYPLSBNNGEIS-IKRXNVMOSA-N	-1	0	472.710	6.204	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3	ZINC000013330601	290690862	/nfs/dbraw/zinc/69/08/62/290690862.db2.gz	LPHOGVFYEBRXSC-WIUKAADNSA-N	-1	0	472.710	6.515	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000039960738	291568118	/nfs/dbraw/zinc/56/81/18/291568118.db2.gz	RWNHLTKFBKYDOJ-OVNNPDNBSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000006003698	291593697	/nfs/dbraw/zinc/59/36/97/291593697.db2.gz	ZZTYPLSBNNGEIS-OPAXANQDSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vivo	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000038143794	291594167	/nfs/dbraw/zinc/59/41/67/291594167.db2.gz	OXVUXGFZHDKYLS-FPFPQISYSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
CCOc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000003659120	194354539	/nfs/dbraw/zinc/35/45/39/194354539.db2.gz	JCBTWQGMFUTFQP-MTJSOVHGSA-N	-1	0	492.915	5.113	40	0		JKABRM
CC1(C)O[C@@](C)(C(O)(c2cccc3ccccc32)c2cccc3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000003845841	194364329	/nfs/dbraw/zinc/36/43/29/194364329.db2.gz	IQKVYIVECRLDDW-LITSAYRRSA-N	-1	0	454.566	6.277	40	0		JKABRM
CC1(C)O[C@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000003845885	194364380	/nfs/dbraw/zinc/36/43/80/194364380.db2.gz	ZEUOHNFKJGAXCN-YYDVJCTNSA-N	-1	0	467.400	5.603	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C	ZINC000004273373	194386761	/nfs/dbraw/zinc/38/67/61/194386761.db2.gz	WCGUUGGRBIKTOS-VNGGYMSWSA-N	-1	0	456.711	7.090	40	0		JKABRM
CC/C(=C\C=C\[C@@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@H]1C	ZINC000009779018	194957248	/nfs/dbraw/zinc/95/72/48/194957248.db2.gz	HSZFOQSMGNAIJM-FBIXOETJSA-N	-1	0	465.634	6.213	40	0		JKABRM
Cc1nn(-c2ccccc2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1-c1ccccc1	ZINC000020636418	195191692	/nfs/dbraw/zinc/19/16/92/195191692.db2.gz	OFSCRDRYZLWWJR-UHFFFAOYSA-N	-1	0	468.376	5.411	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c3ccccc32)c1	ZINC000059292770	195396730	/nfs/dbraw/zinc/39/67/30/195396730.db2.gz	YUDGKCDLGJBHKN-QRVIBDJDSA-N	-1	0	485.927	5.134	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1	ZINC000059417546	195399696	/nfs/dbraw/zinc/39/96/96/195399696.db2.gz	QTAAUBDEEPHWQX-UHFFFAOYSA-N	-1	0	488.565	6.831	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1	ZINC000059417548	195399770	/nfs/dbraw/zinc/39/97/70/195399770.db2.gz	ASVTWGKJMHCVLS-UHFFFAOYSA-N	-1	0	482.970	5.875	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(Sc2ccccc2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634570	195480896	/nfs/dbraw/zinc/48/08/96/195480896.db2.gz	RUCXGYHAPYRKSM-ATVHPVEESA-N	-1	0	456.932	6.352	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)[O-])o1	ZINC000408634540	195480913	/nfs/dbraw/zinc/48/09/13/195480913.db2.gz	VYCCNCKXXSLCDU-XKZIYDEJSA-N	-1	0	494.956	6.195	40	0		JKABRM
O=C([O-])C(=Cc1ccccc1OCc1ccccc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408635008	195483227	/nfs/dbraw/zinc/48/32/27/195483227.db2.gz	WKZZDQXEEWURLV-STZFKDTASA-N	-1	0	463.946	5.922	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc2c(c1)OCO2	ZINC000408635161	195483610	/nfs/dbraw/zinc/48/36/10/195483610.db2.gz	XLQVAWGPTBFLTQ-FMCGGJTJSA-N	-1	0	477.494	5.362	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408635181	195483715	/nfs/dbraw/zinc/48/37/15/195483715.db2.gz	XRJULYCASUWDKD-KQWNVCNZSA-N	-1	0	492.000	6.415	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Br)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408635204	195483909	/nfs/dbraw/zinc/48/39/09/195483909.db2.gz	YBVQLWCUSDKEFR-LCYFTJDESA-N	-1	0	454.733	5.192	40	0		JKABRM
CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(CO)CC[C@]21C	ZINC000095933350	129940279	/nfs/dbraw/zinc/94/02/79/129940279.db2.gz	HVLPFRAXQYBRJO-MTPSTDRGSA-N	-1	0	470.694	6.414	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000096295970	130051268	/nfs/dbraw/zinc/05/12/68/130051268.db2.gz	BYWZDPHXZQSASO-VVQBUESASA-N	-1	0	486.693	5.385	40	0	biogenic,in-vitro	JKABRM
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102916313	130387714	/nfs/dbraw/zinc/38/77/14/130387714.db2.gz	OYQRUSYPABDFAO-UGKGYDQZSA-N	-1	0	486.282	5.051	40	0		JKABRM
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102916316	130387765	/nfs/dbraw/zinc/38/77/65/130387765.db2.gz	OYQRUSYPABDFAO-DENIHFKCSA-N	-1	0	486.282	5.051	40	0		JKABRM
CC(C)(C)OC(=O)NCCCC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000033683179	518830835	/nfs/dbraw/zinc/83/08/35/518830835.db2.gz	SDBUQLGECIYUDT-GOSISDBHSA-N	-1	0	482.577	5.063	40	0		JKABRM
CC(=O)O[C@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@@H]2C(=O)C(=O)[O-])C(=O)C1	ZINC000013409046	519758148	/nfs/dbraw/zinc/75/81/48/519758148.db2.gz	FTPHYMQNLZPNKG-WCAGKXQDSA-N	-1	0	490.681	5.852	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000008680003	520412674	/nfs/dbraw/zinc/41/26/74/520412674.db2.gz	MIJYXULNPSFWEK-CGXHKNHBSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000039560071	520412962	/nfs/dbraw/zinc/41/29/62/520412962.db2.gz	MDZKJHQSJHYOHJ-RVVAXNKDSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000033831832	520414115	/nfs/dbraw/zinc/41/41/15/520414115.db2.gz	MDZKJHQSJHYOHJ-CNAKDSNSSA-N	-1	0	472.710	6.204	40	0	in-vitro	JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000044880773	521221354	/nfs/dbraw/zinc/22/13/54/521221354.db2.gz	ZQZZWQHNGRNMGH-GOSISDBHSA-N	-1	0	487.021	5.647	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000022522452	521255727	/nfs/dbraw/zinc/25/57/27/521255727.db2.gz	RXRNWFUAGVJYPP-INIZCTEOSA-N	-1	0	458.967	5.031	40	0		JKABRM
CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000020494272	521357635	/nfs/dbraw/zinc/35/76/35/521357635.db2.gz	WFFREVHAUJKEFH-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000044886131	521500514	/nfs/dbraw/zinc/50/05/14/521500514.db2.gz	ZRWGVFYESDHYRZ-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1Cl	ZINC000020451165	521515362	/nfs/dbraw/zinc/51/53/62/521515362.db2.gz	MHUGYPNRULXDTL-UHFFFAOYSA-N	-1	0	493.368	5.223	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)cc1	ZINC000020495162	522533452	/nfs/dbraw/zinc/53/34/52/522533452.db2.gz	ZEZZOUMUVSQZCR-QFIPXVFZSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccccc1	ZINC000044844208	522534311	/nfs/dbraw/zinc/53/43/11/522534311.db2.gz	HNEFPRHYXFUVDI-QFIPXVFZSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(OC)cc1	ZINC000020491963	522786281	/nfs/dbraw/zinc/78/62/81/522786281.db2.gz	UFBHYIANDDLVFS-JOCHJYFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1	ZINC000044850412	523843593	/nfs/dbraw/zinc/84/35/93/523843593.db2.gz	LHCHYABGTDBQDG-UHFFFAOYSA-N	-1	0	476.554	5.219	40	0		JKABRM
Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]24C=C(C(C)C)[C@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)c1	ZINC000038555701	524535890	/nfs/dbraw/zinc/53/58/90/524535890.db2.gz	MRRXYEYSIFOGFP-MKDDCPFHSA-N	-1	0	489.656	6.010	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000043574732	524715317	/nfs/dbraw/zinc/71/53/17/524715317.db2.gz	OXVUXGFZHDKYLS-BLIWDXROSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000014980289	524716298	/nfs/dbraw/zinc/71/62/98/524716298.db2.gz	HFGSQOYIOKBQOW-RFMFWNHYSA-N	-1	0	472.710	6.060	40	0	biogenic,in-vitro	JKABRM
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000022708890	524753822	/nfs/dbraw/zinc/75/38/22/524753822.db2.gz	MEQKVXZWXDEHLB-XPGWFJOJSA-N	-1	0	472.994	5.373	40	0		JKABRM
C[C@H]1[C@H](C(=O)[O-])C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000038843571	525098806	/nfs/dbraw/zinc/09/88/06/525098806.db2.gz	QGMNTKNSMLYTKS-BHHXOIJJSA-N	-1	0	470.694	6.269	40	0	biogenic	JKABRM
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1	ZINC000044946283	525240108	/nfs/dbraw/zinc/24/01/08/525240108.db2.gz	SKELPFIZDGCUFQ-FQEVSTJZSA-N	-1	0	472.566	5.771	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)c(C)c1	ZINC000044847959	525295128	/nfs/dbraw/zinc/29/51/28/525295128.db2.gz	HRPLNPAWBJBHQW-HSZRJFAPSA-N	-1	0	469.006	5.565	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2Cl)cc1C	ZINC000020456143	525295584	/nfs/dbraw/zinc/29/55/84/525295584.db2.gz	POTNSEDBERTUOY-XMMPIXPASA-N	-1	0	485.049	6.275	40	0		JKABRM
COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000044880912	525349890	/nfs/dbraw/zinc/34/98/90/525349890.db2.gz	SJMBEXVFJAIIHV-DEOSSOPVSA-N	-1	0	452.576	5.013	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1	ZINC000044883382	525615828	/nfs/dbraw/zinc/61/58/28/525615828.db2.gz	ZCSORHNUMWWZNK-MHZLTWQESA-N	-1	0	470.594	5.624	40	0		JKABRM
C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O3	ZINC000085877580	526238774	/nfs/dbraw/zinc/23/87/74/526238774.db2.gz	PXLRZTWYETUUBN-JENHHNONSA-N	-1	0	492.524	5.013	40	0		JKABRM
O=C([O-])[C@@H]1C[C@H](c2ccc3ccccc3c2)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000014632658	526291791	/nfs/dbraw/zinc/29/17/91/526291791.db2.gz	BIHLSQSGROVWLJ-DWACAAAGSA-N	-1	0	463.533	6.031	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N1c2ccccc2Sc2ccccc21	ZINC000022521644	527255312	/nfs/dbraw/zinc/25/53/12/527255312.db2.gz	CWOWLJDFVORIOM-UHFFFAOYSA-N	-1	0	474.567	5.717	40	0		JKABRM
O=C(NC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000020490009	527518200	/nfs/dbraw/zinc/51/82/00/527518200.db2.gz	HPRSTRUCHXFEFF-UHFFFAOYSA-N	-1	0	450.560	5.342	40	0		JKABRM
O=C(CCCc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001098002	553906952	/nfs/dbraw/zinc/90/69/52/553906952.db2.gz	YAXGYXOKSIIWCK-UHFFFAOYSA-N	-1	0	470.403	5.212	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1	ZINC000001137217	553915019	/nfs/dbraw/zinc/91/50/19/553915019.db2.gz	UXUOYKZOFGFALT-WWDWLDGVSA-N	-1	0	494.522	5.207	40	0		JKABRM
CC(=O)c1ccc([N-]C(=S)Oc2cccc(C(=O)Nc3cccc(Br)c3)c2)cc1	ZINC000001435561	553971686	/nfs/dbraw/zinc/97/16/86/553971686.db2.gz	YORSSVVHTZFAHO-UHFFFAOYSA-N	-1	0	469.360	5.680	40	0		JKABRM
O=C([O-])/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1	ZINC000001541366	553977973	/nfs/dbraw/zinc/97/79/73/553977973.db2.gz	ZJLFOOWTDISDIO-ZRDIBKRKSA-N	-1	0	460.382	6.400	40	0	investigational	JKABRM
O=C([O-])[C@@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@](O)(c2ccccc2)C1	ZINC000001675875	553982364	/nfs/dbraw/zinc/98/23/64/553982364.db2.gz	PFXBHAMNGFNJBY-DNQXCXABSA-N	-1	0	450.332	5.060	40	0		JKABRM
O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Cl)ccc1[O-]	ZINC000001919966	554004773	/nfs/dbraw/zinc/00/47/73/554004773.db2.gz	PJVDRLDBGLTUJH-UHFFFAOYSA-N	-1	0	458.728	7.550	40	0		JKABRM
CC(C)(C)Oc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1	ZINC000002243983	554110517	/nfs/dbraw/zinc/11/05/17/554110517.db2.gz	MQMJCGGJNCHHJI-VWLOTQADSA-N	-1	0	459.542	5.398	40	0		JKABRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1C	ZINC000002946115	554412709	/nfs/dbraw/zinc/41/27/09/554412709.db2.gz	CNUZYHGWMRMCIZ-UUYOSTAYSA-N	-1	0	490.537	5.245	40	0		JKABRM
O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1	ZINC000003065892	554425093	/nfs/dbraw/zinc/42/50/93/554425093.db2.gz	RXALPQWBTGPDGS-UHFFFAOYSA-N	-1	0	488.521	5.230	40	0		JKABRM
CC(=O)c1ccc([N-]C(=S)Oc2ccc(C(=O)Nc3cccc(Br)c3)cc2)cc1	ZINC000003112495	554426379	/nfs/dbraw/zinc/42/63/79/554426379.db2.gz	NHQVLCCYEVKBBZ-UHFFFAOYSA-N	-1	0	469.360	5.680	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000003947453	554471665	/nfs/dbraw/zinc/47/16/65/554471665.db2.gz	WCGUUGGRBIKTOS-RSMXXALDSA-N	-1	0	456.711	7.090	40	0	in-man	JKABRM
Cc1c(C)c2c(c(C)c1OCC(=O)[O-])CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2	ZINC000003974003	554471955	/nfs/dbraw/zinc/47/19/55/554471955.db2.gz	LCFWOFKPFDWYLR-CEFNRUSXSA-N	-1	0	488.753	8.598	40	0		JKABRM
O=C([O-])C[C@H](Cc1cc(F)c(F)cc1F)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000004242023	554476363	/nfs/dbraw/zinc/47/63/63/554476363.db2.gz	FKTSFHXFCVESHF-HNNXBMFYSA-N	-1	0	455.432	5.028	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC(=O)[O-])C(=O)C1	ZINC000005104278	554486605	/nfs/dbraw/zinc/48/66/05/554486605.db2.gz	GFTWFYLFSOGAEP-HHBOOOPKSA-N	-1	0	476.698	6.673	40	0		JKABRM
CC(=O)[C@]1(C)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]2(C)[C@@H]1CCC(=O)[O-]	ZINC000005742640	554493572	/nfs/dbraw/zinc/49/35/72/554493572.db2.gz	XPQHBSJTCFLKRX-VACYKWNBSA-N	-1	0	458.727	7.912	40	0		JKABRM
CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000005957645	554499088	/nfs/dbraw/zinc/49/90/88/554499088.db2.gz	IKTVSAXCEBKIPT-XQBYNGGISA-N	-1	0	470.569	5.699	40	0		JKABRM
O=C([O-])Cc1sc(Nc2cccc3ccccc32)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000006473903	554543847	/nfs/dbraw/zinc/54/38/47/554543847.db2.gz	XWSBHOGJUJMGHP-UHFFFAOYSA-N	-1	0	452.535	7.126	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F)c1ccc(Cl)cc1	ZINC000008810079	554689128	/nfs/dbraw/zinc/68/91/28/554689128.db2.gz	RQBPVXWSQPEKBN-UHFFFAOYSA-N	-1	0	472.847	5.551	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F)c1ccc(Cl)cc1	ZINC000008810146	554689525	/nfs/dbraw/zinc/68/95/25/554689525.db2.gz	LMLWYTQNRPDJJE-UHFFFAOYSA-N	-1	0	496.947	6.325	40	0		JKABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1	ZINC000008810457	554690450	/nfs/dbraw/zinc/69/04/50/554690450.db2.gz	JQIMEMJCIHUJNO-UHFFFAOYSA-N	-1	0	450.944	5.254	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1	ZINC000008810558	554690731	/nfs/dbraw/zinc/69/07/31/554690731.db2.gz	UIZCVOVHMUPDNV-UHFFFAOYSA-N	-1	0	499.347	5.203	40	0		JKABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1	ZINC000008810597	554690891	/nfs/dbraw/zinc/69/08/91/554690891.db2.gz	UASFQORGTAEUEC-UHFFFAOYSA-N	-1	0	485.389	5.908	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F)c1ccccc1F	ZINC000008810688	554691234	/nfs/dbraw/zinc/69/12/34/554691234.db2.gz	FYVCUODXQUIDRW-UHFFFAOYSA-N	-1	0	456.392	5.037	40	0		JKABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000008832823	554728417	/nfs/dbraw/zinc/72/84/17/554728417.db2.gz	HBJUIPXYFQWMDO-UHFFFAOYSA-N	-1	0	498.033	5.305	40	0		JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C	ZINC000008877651	554772896	/nfs/dbraw/zinc/77/28/96/554772896.db2.gz	WCGUUGGRBIKTOS-JPFSISJGSA-N	-1	0	456.711	7.090	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000008892773	554781312	/nfs/dbraw/zinc/78/13/12/554781312.db2.gz	IEFNDSJCTKCYBD-UHFFFAOYSA-N	-1	0	476.168	6.393	40	0		JKABRM
CC(C)(C)c1cc(Br)c(CSC(=S)[N-][C@H]2CCS(=O)(=O)C2)c(C(C)(C)C)c1	ZINC000009057007	554876129	/nfs/dbraw/zinc/87/61/29/554876129.db2.gz	OQKDLJSXFXIFIB-AWEZNQCLSA-N	-1	0	492.570	5.339	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl	ZINC000009142431	554935905	/nfs/dbraw/zinc/93/59/05/554935905.db2.gz	SQYQUBZYRXDGMO-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000009334802	555102256	/nfs/dbraw/zinc/10/22/56/555102256.db2.gz	NGKKCMHSBRWVPL-WWPJHQMMSA-N	-1	0	480.951	5.713	40	0		JKABRM
O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccccc1	ZINC000009427357	555192375	/nfs/dbraw/zinc/19/23/75/555192375.db2.gz	WYEYBWIORLZCAK-GEBXHLAXSA-N	-1	0	464.496	5.199	40	0		JKABRM
CSc1ccc([C@@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000013139638	555336528	/nfs/dbraw/zinc/33/65/28/555336528.db2.gz	YFDJXOLOMMRXNF-DEOSSOPVSA-N	-1	0	484.577	5.199	40	0	aggregator	JKABRM
O=C([O-])CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1	ZINC000013372478	555393001	/nfs/dbraw/zinc/39/30/01/555393001.db2.gz	CVLNLGBFNQSDGT-UHFFFAOYSA-N	-1	0	459.152	5.180	40	0		JKABRM
CC(=O)O[C@H]1CC[C@](C)([C@@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@@H]2C(=O)C(=O)[O-])C(=O)C1	ZINC000013409044	555396977	/nfs/dbraw/zinc/39/69/77/555396977.db2.gz	FTPHYMQNLZPNKG-LGYJIMDOSA-N	-1	0	490.681	5.852	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@@H]13	ZINC000009778519	555497407	/nfs/dbraw/zinc/49/74/07/555497407.db2.gz	FYZFYVOGEUZQNZ-ACSMPARLSA-N	-1	0	491.628	5.407	40	0		JKABRM
O=C([O-])c1ccccc1/C=N/c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1	ZINC000019855670	555513044	/nfs/dbraw/zinc/51/30/44/555513044.db2.gz	BXJZJUJCJUJBKE-TURZUDJPSA-N	-1	0	470.550	5.531	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@]32c2ccccc2)cc1	ZINC000013619137	555537635	/nfs/dbraw/zinc/53/76/35/555537635.db2.gz	UXUOYKZOFGFALT-YCVRVPNXSA-N	-1	0	494.522	5.207	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)c1C	ZINC000019933099	555550307	/nfs/dbraw/zinc/55/03/07/555550307.db2.gz	PSWRDODJAQOULL-INIZCTEOSA-N	-1	0	460.958	5.388	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1C	ZINC000013669789	555559904	/nfs/dbraw/zinc/55/99/04/555559904.db2.gz	YPQOFCGRKWHTCF-LJQANCHMSA-N	-1	0	499.076	6.546	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1	ZINC000013670033	555560586	/nfs/dbraw/zinc/56/05/86/555560586.db2.gz	YMWDGAFEIMODMG-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000013675714	555566934	/nfs/dbraw/zinc/56/69/34/555566934.db2.gz	ZXYXNLDKVLGNDH-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013677979	555569168	/nfs/dbraw/zinc/56/91/68/555569168.db2.gz	QHRMWUIIVBJACS-UHFFFAOYSA-N	-1	0	461.779	5.761	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)NC(C)C	ZINC000013678927	555570100	/nfs/dbraw/zinc/57/01/00/555570100.db2.gz	DPSVWIRAFWWBSF-UHFFFAOYSA-N	-1	0	474.966	5.080	40	0		JKABRM
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1	ZINC000013681756	555574970	/nfs/dbraw/zinc/57/49/70/555574970.db2.gz	GCFDFXZIILXNBJ-OAHLLOKOSA-N	-1	0	463.386	5.426	40	0		JKABRM
CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000020036681	555610932	/nfs/dbraw/zinc/61/09/32/555610932.db2.gz	JKGXHGRCKNPQLC-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000010110517	555620574	/nfs/dbraw/zinc/62/05/74/555620574.db2.gz	AJTQPWLXRYHAFF-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000010110761	555620808	/nfs/dbraw/zinc/62/08/08/555620808.db2.gz	BVKFNOXEYFCQAT-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)c(C)c1	ZINC000010112443	555625775	/nfs/dbraw/zinc/62/57/75/555625775.db2.gz	CIQAPVVKGBHODT-UHFFFAOYSA-N	-1	0	454.979	5.351	40	0		JKABRM
O=S(=O)([N-]c1ccccc1SCc1ccc(Cl)cc1)c1ccc(Br)cc1	ZINC000010112677	555626058	/nfs/dbraw/zinc/62/60/58/555626058.db2.gz	RMLGJWDRRQLBLU-UHFFFAOYSA-N	-1	0	468.825	6.196	40	0		JKABRM
CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000020107911	555642205	/nfs/dbraw/zinc/64/22/05/555642205.db2.gz	IFXFVKRBLAYVOK-QFIPXVFZSA-N	-1	0	488.993	5.254	40	0		JKABRM
O=C([O-])c1cc(NC(=O)c2cc(I)ccc2Cl)c(Cl)cc1Cl	ZINC000020138516	555661718	/nfs/dbraw/zinc/66/17/18/555661718.db2.gz	PTQHFAKYJYWGEC-UHFFFAOYSA-N	-1	0	470.477	5.202	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl	ZINC000020152431	555670197	/nfs/dbraw/zinc/67/01/97/555670197.db2.gz	ZFRSSKBWFZPATI-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1	ZINC000020167984	555678273	/nfs/dbraw/zinc/67/82/73/555678273.db2.gz	AIHDAPMXABDLBI-KIZRIRGWSA-N	-1	0	483.630	5.784	40	0		JKABRM
CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020168161	555678620	/nfs/dbraw/zinc/67/86/20/555678620.db2.gz	XEFTURXBGVCKDL-ALGWMNEGSA-N	-1	0	463.555	5.430	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)c(OC)c1	ZINC000010314449	555680156	/nfs/dbraw/zinc/68/01/56/555680156.db2.gz	BUXNGYHBGZFELC-UHFFFAOYSA-N	-1	0	496.629	5.373	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)c(OC)c1	ZINC000010371513	555699995	/nfs/dbraw/zinc/69/99/95/555699995.db2.gz	XETITAFQGQAHIS-UHFFFAOYSA-N	-1	0	482.602	5.199	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)c1	ZINC000014153357	555709427	/nfs/dbraw/zinc/70/94/27/555709427.db2.gz	QGMOIQGZHVWDRW-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014153555	555709766	/nfs/dbraw/zinc/70/97/66/555709766.db2.gz	ZUEFZBKHWUTWPQ-UHFFFAOYSA-N	-1	0	455.750	5.700	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2Cl)c1	ZINC000014153675	555709926	/nfs/dbraw/zinc/70/99/26/555709926.db2.gz	HUPZMRGIWZBNSM-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)cc1C	ZINC000014154093	555710843	/nfs/dbraw/zinc/71/08/43/555710843.db2.gz	HIGKMSXMJRMXGH-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c1	ZINC000014154101	555710968	/nfs/dbraw/zinc/71/09/68/555710968.db2.gz	QTXRVKNIAGSBDD-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)cc1	ZINC000014154245	555711237	/nfs/dbraw/zinc/71/12/37/555711237.db2.gz	PJOHHLHATHDVID-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1	ZINC000014154615	555711894	/nfs/dbraw/zinc/71/18/94/555711894.db2.gz	HJIZTRWHJOPFOU-UHFFFAOYSA-N	-1	0	486.977	5.105	40	0		JKABRM
Cc1ccc(SCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000014154682	555712290	/nfs/dbraw/zinc/71/22/90/555712290.db2.gz	RFEBINJWIAVNMW-UHFFFAOYSA-N	-1	0	475.035	5.280	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2Cl)c1	ZINC000014154877	555712535	/nfs/dbraw/zinc/71/25/35/555712535.db2.gz	HOCSFGPOTXISNU-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014154943	555712778	/nfs/dbraw/zinc/71/27/78/555712778.db2.gz	CCIWRDSKMWZEDF-UHFFFAOYSA-N	-1	0	451.331	5.055	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)c1	ZINC000014155193	555713134	/nfs/dbraw/zinc/71/31/34/555713134.db2.gz	MMHTZUPGOALFDL-UHFFFAOYSA-N	-1	0	497.831	5.994	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)cc1C	ZINC000014155477	555713677	/nfs/dbraw/zinc/71/36/77/555713677.db2.gz	BWUSNZWFNAYAND-UHFFFAOYSA-N	-1	0	491.012	6.677	40	0		JKABRM
COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)ccc1Cl	ZINC000014155572	555714005	/nfs/dbraw/zinc/71/40/05/555714005.db2.gz	RHCDHCMRUBCOCB-UHFFFAOYSA-N	-1	0	493.368	5.142	40	0		JKABRM
Cc1cccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1	ZINC000014155631	555714055	/nfs/dbraw/zinc/71/40/55/555714055.db2.gz	HQUFZYQTYDOHPI-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000020247753	555742482	/nfs/dbraw/zinc/74/24/82/555742482.db2.gz	MMZMYIAWUNJZCA-FQEVSTJZSA-N	-1	0	481.346	5.520	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1Cl	ZINC000014269754	555760107	/nfs/dbraw/zinc/76/01/07/555760107.db2.gz	FCPRQEPMAOEMHL-JXMROGBWSA-N	-1	0	461.326	5.478	40	0		JKABRM
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3[O-])o2)cc1Cl	ZINC000014270346	555762166	/nfs/dbraw/zinc/76/21/66/555762166.db2.gz	AGTDOJONTAEWOV-UHFFFAOYSA-N	-1	0	455.750	6.048	40	0		JKABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1	ZINC000014274017	555775386	/nfs/dbraw/zinc/77/53/86/555775386.db2.gz	ITORLVCJOOJCDZ-UHFFFAOYSA-N	-1	0	498.033	5.305	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1Cl	ZINC000014275006	555778986	/nfs/dbraw/zinc/77/89/86/555778986.db2.gz	XAPDTXWRMBZBQA-ZZXKWVIFSA-N	-1	0	495.771	6.131	40	0		JKABRM
COc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O[C@@H](C)C(=O)[O-])c1	ZINC000012364886	555959888	/nfs/dbraw/zinc/95/98/88/555959888.db2.gz	XGAICFLKIPNUFE-YXLARRHKSA-N	-1	0	480.601	6.236	40	0		JKABRM
C[C@@H](C(=O)c1ccccc1)[C@@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1	ZINC000012383381	555971607	/nfs/dbraw/zinc/97/16/07/555971607.db2.gz	FHUXCSWUJDKAFP-RTOPAQNCSA-N	-1	0	463.327	5.470	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]13	ZINC000012659589	556100480	/nfs/dbraw/zinc/10/04/80/556100480.db2.gz	FYZFYVOGEUZQNZ-LKVDQOIUSA-N	-1	0	491.628	5.407	40	0		JKABRM
CC1(C)[C@@H](O)CC[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000012871012	556120913	/nfs/dbraw/zinc/12/09/13/556120913.db2.gz	DPWVNICGMWYCAP-PIWNRTQZSA-N	-1	0	454.695	7.154	40	0	biogenic	JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000016161918	556127426	/nfs/dbraw/zinc/12/74/26/556127426.db2.gz	YSUSHNYQFGJYDC-IBYCJETLSA-N	-1	0	460.555	5.126	40	0		JKABRM
Cc1c(Cl)cc(NC(=O)COc2ccc(CC(C)(C)C)cc2CC(C)(C)C)c([O-])c1Cl	ZINC000016249853	556131027	/nfs/dbraw/zinc/13/10/27/556131027.db2.gz	UYGUAWKCILTJSY-UHFFFAOYSA-N	-1	0	466.449	7.202	40	0		JKABRM
Cc1cc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Br)cc2)nc(-c2ccccc2[O-])n1	ZINC000016283989	556132797	/nfs/dbraw/zinc/13/27/97/556132797.db2.gz	FDRHNEZWUVLVBJ-QHCPKHFHSA-N	-1	0	485.385	6.276	40	0		JKABRM
Cc1ccc(Cc2c([O-])nc(SCC(=O)c3ccccc3)n(-c3ccccc3C)c2=O)cc1	ZINC000016292513	556133823	/nfs/dbraw/zinc/13/38/23/556133823.db2.gz	UARJWMLDOLGKTP-UHFFFAOYSA-N	-1	0	456.567	5.121	40	0		JKABRM
Cc1ccc(N2C(=O)C(=O)[C@@](C(=O)[O-])(C(c3ccccc3)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000016292846	556133899	/nfs/dbraw/zinc/13/38/99/556133899.db2.gz	NPFKNCOPJQPVNK-JTSJOTPCSA-N	-1	0	475.544	5.555	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(-c2ccc(Br)cc2)o1	ZINC000016429516	556138896	/nfs/dbraw/zinc/13/88/96/556138896.db2.gz	VHTQZUSDDJAEPV-UHFFFAOYSA-N	-1	0	479.739	5.188	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1	ZINC000016477675	556140056	/nfs/dbraw/zinc/14/00/56/556140056.db2.gz	NKASEPUDQJXBMZ-UHFFFAOYSA-N	-1	0	459.354	5.337	40	0		JKABRM
O=C1S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1c1ccccc1	ZINC000016488331	556140617	/nfs/dbraw/zinc/14/06/17/556140617.db2.gz	MKZXPINDEIYSOV-NTUHNPAUSA-N	-1	0	455.127	5.158	40	0		JKABRM
CCOC(=O)[C@@](/C=C1/N(C)c2ccccc2C1(C)C)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F	ZINC000016682088	556151119	/nfs/dbraw/zinc/15/11/19/556151119.db2.gz	GVQAYUHRLJSDPN-KGSORJMFSA-N	-1	0	499.533	5.149	40	0		JKABRM
CC1(C)[C@H](C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)CC[C@]1(C)C(=O)[O-]	ZINC000016740839	556156550	/nfs/dbraw/zinc/15/65/50/556156550.db2.gz	LZOKPFMTLUKPQV-HFJWLAOPSA-N	-1	0	462.571	5.507	40	0		JKABRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1NCc1ccccc1Cl	ZINC000016757336	556157760	/nfs/dbraw/zinc/15/77/60/556157760.db2.gz	CPQPWPJJUBPGMJ-UHFFFAOYSA-N	-1	0	456.930	5.144	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1C(=O)N1CCCCCC1	ZINC000026120044	556248883	/nfs/dbraw/zinc/24/88/83/556248883.db2.gz	KEHBXGQUYUZENH-UHFFFAOYSA-N	-1	0	472.554	5.244	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCCCCC1	ZINC000026120682	556249143	/nfs/dbraw/zinc/24/91/43/556249143.db2.gz	UAQKSVRNBVZXAZ-UHFFFAOYSA-N	-1	0	496.654	6.018	40	0		JKABRM
CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000017920086	556271672	/nfs/dbraw/zinc/27/16/72/556271672.db2.gz	ILOGOOOAUQKWMJ-VABKMULXSA-N	-1	0	477.358	5.063	40	0		JKABRM
CCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCC)cc3)c(C(=O)[O-])c2)cc1	ZINC000019075623	556327982	/nfs/dbraw/zinc/32/79/82/556327982.db2.gz	WAAOGPHTKALRNG-UHFFFAOYSA-N	-1	0	478.497	5.401	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C	ZINC000029470611	556352332	/nfs/dbraw/zinc/35/23/32/556352332.db2.gz	MUCRYNWJQNHDJH-QKLLNACYSA-N	-1	0	454.695	7.298	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(CSc2ccccc2)cc1	ZINC000030855141	556379434	/nfs/dbraw/zinc/37/94/34/556379434.db2.gz	GAVFBJKBGTXDIQ-UHFFFAOYSA-N	-1	0	475.595	5.427	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)c(C)c1	ZINC000030873101	556385803	/nfs/dbraw/zinc/38/58/03/556385803.db2.gz	LOCBACSBBPEHOQ-UHFFFAOYSA-N	-1	0	498.004	5.137	40	0		JKABRM
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])C[C@@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000031542684	556399178	/nfs/dbraw/zinc/39/91/78/556399178.db2.gz	JTBGJQZJEYVBJZ-XDGNBKIMSA-N	-1	0	472.710	6.204	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(Br)o1	ZINC000032116352	556423232	/nfs/dbraw/zinc/42/32/32/556423232.db2.gz	VXYCMKBXFXWNNG-UHFFFAOYSA-N	-1	0	478.096	5.571	40	0		JKABRM
O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116371	556423297	/nfs/dbraw/zinc/42/32/97/556423297.db2.gz	FSEBHSIAOSDROQ-UHFFFAOYSA-N	-1	0	469.944	5.242	40	0		JKABRM
COc1cc2ccccc2cc1C(=O)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116409	556423306	/nfs/dbraw/zinc/42/33/06/556423306.db2.gz	BFRFKTURHZRTMX-UHFFFAOYSA-N	-1	0	451.114	5.331	40	0		JKABRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccc(Cl)c(Cl)c1	ZINC000032116459	556423628	/nfs/dbraw/zinc/42/36/28/556423628.db2.gz	HLZRHHHXAGMZNF-UHFFFAOYSA-N	-1	0	499.011	5.351	40	0		JKABRM
CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116489	556423823	/nfs/dbraw/zinc/42/38/23/556423823.db2.gz	HSVLRPSPGUZHTM-UHFFFAOYSA-N	-1	0	481.346	6.394	40	0		JKABRM
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116492	556423828	/nfs/dbraw/zinc/42/38/28/556423828.db2.gz	CMQMQARMEFUXEF-ZZXKWVIFSA-N	-1	0	490.604	5.097	40	0		JKABRM
CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116481	556423838	/nfs/dbraw/zinc/42/38/38/556423838.db2.gz	MFXLYWISXSJVHF-AWEZNQCLSA-N	-1	0	481.346	6.393	40	0		JKABRM
CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116525	556423844	/nfs/dbraw/zinc/42/38/44/556423844.db2.gz	QTTQTVDLIUMCPY-UHFFFAOYSA-N	-1	0	467.319	6.004	40	0		JKABRM
O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116524	556423884	/nfs/dbraw/zinc/42/38/84/556423884.db2.gz	PVNWJJZRBNMHLR-UHFFFAOYSA-N	-1	0	457.711	5.798	40	0		JKABRM
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116662	556424459	/nfs/dbraw/zinc/42/44/59/556424459.db2.gz	WKBCRVBSAQYPIT-XCVCLJGOSA-N	-1	0	469.722	6.268	40	0		JKABRM
O=C(COc1cccc2ccccc21)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116627	556424537	/nfs/dbraw/zinc/42/45/37/556424537.db2.gz	UCPNYYBZUSMMDK-UHFFFAOYSA-N	-1	0	489.325	6.134	40	0		JKABRM
CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116680	556424827	/nfs/dbraw/zinc/42/48/27/556424827.db2.gz	OFYLBEKTDWGHJK-UHFFFAOYSA-N	-1	0	462.369	5.356	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(Br)cc1	ZINC000032116700	556424904	/nfs/dbraw/zinc/42/49/04/556424904.db2.gz	BGNYHZLBVIQYML-UHFFFAOYSA-N	-1	0	488.135	5.978	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2c(Br)cccc12	ZINC000032118894	556425646	/nfs/dbraw/zinc/42/56/46/556425646.db2.gz	LMWZJLAVKQYBFK-UHFFFAOYSA-N	-1	0	470.175	5.742	40	0		JKABRM
CC1=C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C	ZINC000072320934	560077108	/nfs/dbraw/zinc/07/71/08/560077108.db2.gz	YMRPSGLKDQJZBD-VABKMULXSA-N	-1	0	479.665	5.512	40	0	biogenic,in-vitro	JKABRM
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC4(CC(=O)[O-])CCCC4)C=C3C)nc2c1	ZINC000072321017	560077754	/nfs/dbraw/zinc/07/77/54/560077754.db2.gz	MTOMSZJVJGJEDF-FUDKSRODSA-N	-1	0	495.664	5.510	40	0	biogenic,in-vitro	JKABRM
C/C(=C\CC[C@H](CO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3)C(=O)[O-]	ZINC000035456212	560081233	/nfs/dbraw/zinc/08/12/33/560081233.db2.gz	RLTDMRMWVUCOAI-FQONBHCDSA-N	-1	0	470.694	6.724	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000038290703	560086263	/nfs/dbraw/zinc/08/62/63/560086263.db2.gz	BYWZDPHXZQSASO-DLRRJOOFSA-N	-1	0	486.693	5.385	40	0	biogenic,in-vitro	JKABRM
CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)[O-]	ZINC000033972209	563111381	/nfs/dbraw/zinc/11/13/81/563111381.db2.gz	SRFCAWATPLCLMG-UHFFFAOYSA-N	-1	0	463.559	5.050	40	0	investigational	JKABRM
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2cccc(C(C)(C)C(=O)[O-])c2)n1	ZINC000034894481	563117475	/nfs/dbraw/zinc/11/74/75/563117475.db2.gz	FJKKCRCBBAXLQZ-UHFFFAOYSA-N	-1	0	460.361	5.476	40	0		JKABRM
C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-]	ZINC000035458149	563120225	/nfs/dbraw/zinc/12/02/25/563120225.db2.gz	VOYZLKWKVLYJHD-IPYMOLBOSA-N	-1	0	454.695	7.608	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000035570622	563120313	/nfs/dbraw/zinc/12/03/13/563120313.db2.gz	KAVKWHJDPYCYQA-VNNAKPRGSA-N	-1	0	479.705	7.575	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000053298032	563205717	/nfs/dbraw/zinc/20/57/17/563205717.db2.gz	DMEMCCPBDSBSGG-UCQKPKSFSA-N	-1	0	475.522	5.209	40	0		JKABRM
C[C@@H](CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21)C(=O)[O-]	ZINC000008652225	569592548	/nfs/dbraw/zinc/59/25/48/569592548.db2.gz	LXXYVDIURVWJIU-SFHVURJKSA-N	-1	0	465.553	6.073	40	0		JKABRM
O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(Cl)c1	ZINC000059843128	569607807	/nfs/dbraw/zinc/60/78/07/569607807.db2.gz	NXYVVFPUHIOUOJ-UHFFFAOYSA-N	-1	0	498.185	5.734	40	0		JKABRM
O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c(Cl)c1	ZINC000059843151	569607809	/nfs/dbraw/zinc/60/78/09/569607809.db2.gz	QCLHIKQIKVMJIZ-UHFFFAOYSA-N	-1	0	482.570	5.234	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C(=O)[N-]C2=S)cc1	ZINC000033371758	569625281	/nfs/dbraw/zinc/62/52/81/569625281.db2.gz	WJWZJDNGNYNEEC-BUVRLJJBSA-N	-1	0	471.626	6.253	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccccc3OCC(=O)Nc3ccc(C)cc3)C(=O)[N-]C2=S)cc1	ZINC000033380034	569625423	/nfs/dbraw/zinc/62/54/23/569625423.db2.gz	BTDBNXORRVVQKE-XQNSMLJCSA-N	-1	0	499.592	5.247	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC	ZINC000033410832	569625971	/nfs/dbraw/zinc/62/59/71/569625971.db2.gz	ZGNVSISCUVIULQ-HMMYKYKNSA-N	-1	0	496.560	5.568	40	0		JKABRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(O[C@H](C)CC)c(OC)c2)C1=O	ZINC000033412443	569626009	/nfs/dbraw/zinc/62/60/09/569626009.db2.gz	DKCIAHUQWZRFSZ-SWEABUAFSA-N	-1	0	456.926	5.595	40	0		JKABRM
CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1	ZINC000033429442	569626238	/nfs/dbraw/zinc/62/62/38/569626238.db2.gz	ILCMEGQPSTYLRD-HZHRSRAPSA-N	-1	0	460.534	5.036	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1	ZINC000033469651	569626813	/nfs/dbraw/zinc/62/68/13/569626813.db2.gz	HFGXQPZPILEJNV-FGODQDRRSA-N	-1	0	472.491	6.100	40	0		JKABRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)Nc1ccc(F)cc1	ZINC000033508367	569627098	/nfs/dbraw/zinc/62/70/98/569627098.db2.gz	NBRFPLRUOZRHAJ-CIAFOILYSA-N	-1	0	493.878	5.003	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4C#N)cc3)C(=O)[N-]C2=S)cc1	ZINC000033560600	569627909	/nfs/dbraw/zinc/62/79/09/569627909.db2.gz	OKLCBHCAYSNNBZ-BUVRLJJBSA-N	-1	0	467.550	5.371	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	ZINC000033562149	569627921	/nfs/dbraw/zinc/62/79/21/569627921.db2.gz	LFUGMTUAQOCNKI-ADFUCPMPSA-N	-1	0	472.994	5.814	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	ZINC000033562147	569627935	/nfs/dbraw/zinc/62/79/35/569627935.db2.gz	LFUGMTUAQOCNKI-ZXMBATIKSA-N	-1	0	472.994	5.814	40	0		JKABRM
O=C([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	ZINC000033601610	569628556	/nfs/dbraw/zinc/62/85/56/569628556.db2.gz	CDQGEDDNUCGRSI-DUXPYHPUSA-N	-1	0	480.967	6.195	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000033615892	569628878	/nfs/dbraw/zinc/62/88/78/569628878.db2.gz	FQQRBGZNIRIXGY-PDGQHHTCSA-N	-1	0	471.365	6.487	40	0		JKABRM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1	ZINC000033642259	569629419	/nfs/dbraw/zinc/62/94/19/569629419.db2.gz	ANYKHABFFLSQPR-UHFFFAOYSA-N	-1	0	491.012	5.983	40	0		JKABRM
N#CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	ZINC000033657933	569629884	/nfs/dbraw/zinc/62/98/84/569629884.db2.gz	UJIJBONZGYMXNZ-OQLLNIDSSA-N	-1	0	455.326	5.143	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	ZINC000033658863	569629978	/nfs/dbraw/zinc/62/99/78/569629978.db2.gz	MQYHWTRIETWXCY-SFQUDFHCSA-N	-1	0	473.323	5.143	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)cc1	ZINC000033663695	569630215	/nfs/dbraw/zinc/63/02/15/569630215.db2.gz	SZKUZYFQKBDGAE-UHFFFAOYSA-N	-1	0	450.947	5.855	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cccc(OCc4ccc(F)cc4)c3)C(=O)[N-]C2=S)cc1	ZINC000033726800	569632267	/nfs/dbraw/zinc/63/22/67/569632267.db2.gz	RUVXLNNOULQIRA-HZHRSRAPSA-N	-1	0	460.530	5.639	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)cc1	ZINC000033738223	569632837	/nfs/dbraw/zinc/63/28/37/569632837.db2.gz	WWLCNHOYHOXHCP-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc(F)c4)cc3)C(=O)[N-]C2=S)cc1	ZINC000033779563	569634493	/nfs/dbraw/zinc/63/44/93/569634493.db2.gz	GYUMOHNBOJELNA-HZHRSRAPSA-N	-1	0	460.530	5.639	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC	ZINC000033780100	569634639	/nfs/dbraw/zinc/63/46/39/569634639.db2.gz	GJFWWWMJJHGUAA-XSFVSMFZSA-N	-1	0	484.980	6.513	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)[N-]C2=S)cc1	ZINC000033782125	569634769	/nfs/dbraw/zinc/63/47/69/569634769.db2.gz	FMODWYRIVDHCFN-HZHRSRAPSA-N	-1	0	457.599	5.945	40	0		JKABRM
COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)[O-])cccc2[C@H]2c3ccccc3C[C@@H]21	ZINC000034764731	569658271	/nfs/dbraw/zinc/65/82/71/569658271.db2.gz	PEKIUSDOQXANNQ-WPYKKVEZSA-N	-1	0	450.332	5.627	40	0		JKABRM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)cc1F	ZINC000034767591	569658725	/nfs/dbraw/zinc/65/87/25/569658725.db2.gz	YRXGSAINBLKYPD-RQZCQDPDSA-N	-1	0	486.297	5.091	40	0		JKABRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)C2=O)c1	ZINC000034839162	569666744	/nfs/dbraw/zinc/66/67/44/569666744.db2.gz	MOHZUZLXQDMMHI-XKYMITNMSA-N	-1	0	472.925	5.431	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OCC	ZINC000034856924	569667371	/nfs/dbraw/zinc/66/73/71/569667371.db2.gz	FSHKDJTXMHRJPK-HKWRFOASSA-N	-1	0	496.560	5.568	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1cccc(C)c1	ZINC000034869313	569668309	/nfs/dbraw/zinc/66/83/09/569668309.db2.gz	SODVCMDBMHFOMQ-PXLXIMEGSA-N	-1	0	484.508	5.428	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccc2ccccc2c1	ZINC000035078215	569674371	/nfs/dbraw/zinc/67/43/71/569674371.db2.gz	IKGJVJGCOFATIF-HZHRSRAPSA-N	-1	0	452.466	5.514	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCCCCCCCCCC[NH2+][C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000035084717	569674519	/nfs/dbraw/zinc/67/45/19/569674519.db2.gz	KKFVLVJTNDFPHI-UARRHKHWSA-N	-1	0	480.690	5.128	40	0		JKABRM
CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000035125163	569675134	/nfs/dbraw/zinc/67/51/34/569675134.db2.gz	HIBBPAPPSYCOIC-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(C)cc1	ZINC000035393545	569687270	/nfs/dbraw/zinc/68/72/70/569687270.db2.gz	DFUPVZNEDFEVJN-RCCKNPSSSA-N	-1	0	484.508	5.428	40	0		JKABRM
O=C([O-])C[C@H](CNc1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl	ZINC000082087175	569708154	/nfs/dbraw/zinc/70/81/54/569708154.db2.gz	FQOQLKLFEDCNPO-MRXNPFEDSA-N	-1	0	454.357	6.062	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c(Cl)cc1Cl	ZINC000085342919	569709831	/nfs/dbraw/zinc/70/98/31/569709831.db2.gz	AWJZQQOCVQXSKP-UHFFFAOYSA-N	-1	0	475.353	5.397	40	0		JKABRM
O=C([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(C(F)(F)F)cc3)nc2c1	ZINC000085399031	569710269	/nfs/dbraw/zinc/71/02/69/569710269.db2.gz	PPOXRANPKKVWER-UHFFFAOYSA-N	-1	0	462.349	6.700	40	0		JKABRM
C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O3	ZINC000085877572	569716046	/nfs/dbraw/zinc/71/60/46/569716046.db2.gz	PXLRZTWYETUUBN-ORHBMKTGSA-N	-1	0	492.524	5.013	40	0		JKABRM
CC1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000095933351	569730682	/nfs/dbraw/zinc/73/06/82/569730682.db2.gz	HVLPFRAXQYBRJO-OBAHEBALSA-N	-1	0	470.694	6.414	40	0		JKABRM
O=C(C(=C([O-])c1cccs1)[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1)C(F)(F)F	ZINC000100538423	569764059	/nfs/dbraw/zinc/76/40/59/569764059.db2.gz	DSGZHIFRJJOMHW-VXKWHMMOSA-N	-1	0	471.475	6.824	40	0		JKABRM
C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100637249	569765909	/nfs/dbraw/zinc/76/59/09/569765909.db2.gz	DOMKDVRQFVLOLZ-VNAWGFGGSA-N	-1	0	491.381	5.255	40	0		JKABRM
O=C(Nc1ccc(Cl)cc1)C(=O)C(=C([O-])c1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000100933215	569776426	/nfs/dbraw/zinc/77/64/26/569776426.db2.gz	PJCDYMUBQHQELO-SANMLTNESA-N	-1	0	467.952	6.179	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C	ZINC000037246028	569781855	/nfs/dbraw/zinc/78/18/55/569781855.db2.gz	RIXNFYQZWDGQAE-KVAWTGSTSA-N	-1	0	498.748	7.804	40	0		JKABRM
CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C	ZINC000037246026	569781875	/nfs/dbraw/zinc/78/18/75/569781875.db2.gz	RIXNFYQZWDGQAE-IAKCDOKNSA-N	-1	0	498.748	7.804	40	0		JKABRM
CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000101149906	569784555	/nfs/dbraw/zinc/78/45/55/569784555.db2.gz	MEHNVWVGHSGVRX-HJOGWXRNSA-N	-1	0	460.961	5.689	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000038454009	569801332	/nfs/dbraw/zinc/80/13/32/569801332.db2.gz	MDZKJHQSJHYOHJ-YUOZJKDKSA-N	-1	0	472.710	6.204	40	0		JKABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCC2	ZINC000038753869	569806768	/nfs/dbraw/zinc/80/67/68/569806768.db2.gz	ABXRQRQIHWRRQN-UHFFFAOYSA-N	-1	0	457.573	5.397	40	0		JKABRM
CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000038754931	569806940	/nfs/dbraw/zinc/80/69/40/569806940.db2.gz	AFZUNGBODWVFJD-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000038755642	569807128	/nfs/dbraw/zinc/80/71/28/569807128.db2.gz	OKBRFVWHTSXEPI-LJQANCHMSA-N	-1	0	461.996	5.045	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1	ZINC000039556246	569810280	/nfs/dbraw/zinc/81/02/80/569810280.db2.gz	ZGWSJEMVLNKKRS-WSDLNYQXSA-N	-1	0	471.900	5.139	40	0		JKABRM
CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000039866627	569812222	/nfs/dbraw/zinc/81/22/22/569812222.db2.gz	IEZYKNRPSDEECT-UHCYRAGWSA-N	-1	0	452.919	5.922	40	0		JKABRM
Cc1ccc(C)c(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)c1	ZINC000102941064	569829608	/nfs/dbraw/zinc/82/96/08/569829608.db2.gz	KDVUAQJLFSKMCS-LEAFIULHSA-N	-1	0	477.516	5.375	40	0		JKABRM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102964400	569830306	/nfs/dbraw/zinc/83/03/06/569830306.db2.gz	YRDZXMGIXPRCGR-NVQXNPDNSA-N	-1	0	473.500	5.176	40	0		JKABRM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)cc1	ZINC000103014495	569831780	/nfs/dbraw/zinc/83/17/80/569831780.db2.gz	QTEXSGJHQLZBJL-LSYYVWMOSA-N	-1	0	493.515	5.157	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(CCc2ccccc2)n1	ZINC000103298819	569834446	/nfs/dbraw/zinc/83/44/46/569834446.db2.gz	IYEVVEIWPLSEKQ-UHFFFAOYSA-N	-1	0	484.596	6.736	40	0		JKABRM
CCOc1ccc(CCC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(Cc2ccccc2)n1	ZINC000103298778	569834486	/nfs/dbraw/zinc/83/44/86/569834486.db2.gz	OTTNZCIGUYCZQU-UHFFFAOYSA-N	-1	0	486.568	5.699	40	0		JKABRM
CC(C)(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1	ZINC000041105659	569837804	/nfs/dbraw/zinc/83/78/04/569837804.db2.gz	DOBLPZROLTUBJG-UHFFFAOYSA-N	-1	0	494.192	5.152	40	0		JKABRM
Cn1c(=O)c(C(=O)C[C@@H](c2ccco2)N(c2ccccc2)c2ccccc2)c([O-])c2ccccc21	ZINC000104827709	569846482	/nfs/dbraw/zinc/84/64/82/569846482.db2.gz	AFIBCUXGJXQIQU-DEOSSOPVSA-N	-1	0	464.521	5.990	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]13	ZINC000105368944	569852932	/nfs/dbraw/zinc/85/29/32/569852932.db2.gz	XFIWQQAILDPLJC-UOAMTUORSA-N	-1	0	475.629	5.702	40	0		JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C	ZINC000105383770	569853006	/nfs/dbraw/zinc/85/30/06/569853006.db2.gz	WCGUUGGRBIKTOS-BPOYUDSWSA-N	-1	0	456.711	7.090	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1Cl	ZINC000106683215	569854536	/nfs/dbraw/zinc/85/45/36/569854536.db2.gz	DLQNOBOIHXRRHC-GRSHGNNSSA-N	-1	0	474.321	6.188	40	0		JKABRM
CCOc1cccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1OCC(=O)[O-]	ZINC000106712450	569854990	/nfs/dbraw/zinc/85/49/90/569854990.db2.gz	JZZIMBGXKKEOPX-MFOYZWKCSA-N	-1	0	482.341	5.092	40	0		JKABRM
O=C1S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C(=O)N1Cc1ccc(Br)cc1	ZINC000106723456	569855138	/nfs/dbraw/zinc/85/51/38/569855138.db2.gz	ACRMAJMGNZBNLS-NSIKDUERSA-N	-1	0	459.148	5.698	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1CCOc1ccccc1	ZINC000106759501	569855643	/nfs/dbraw/zinc/85/56/43/569855643.db2.gz	DFDXYXDANUENEP-GDNBJRDFSA-N	-1	0	499.180	5.033	40	0		JKABRM
C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O	ZINC000107796785	569857477	/nfs/dbraw/zinc/85/74/77/569857477.db2.gz	IIJQLKQAXQHZCI-OTWJJXBCSA-N	-1	0	456.589	5.343	40	0		JKABRM
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000107819241	569857534	/nfs/dbraw/zinc/85/75/34/569857534.db2.gz	DZWRVKANGCZQBF-BKUYFWCQSA-N	-1	0	492.622	5.969	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c(C)c1	ZINC000107830855	569857619	/nfs/dbraw/zinc/85/76/19/569857619.db2.gz	WUDYIVOCQFHMGY-UHFFFAOYSA-N	-1	0	464.974	6.163	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000108059154	569858442	/nfs/dbraw/zinc/85/84/42/569858442.db2.gz	QAFDETUGHXOABP-UUYOSTAYSA-N	-1	0	479.510	5.110	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Br)c2)ccc1Cl	ZINC000108102449	569858680	/nfs/dbraw/zinc/85/86/80/569858680.db2.gz	WPXZVTFFOABDJP-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCC(=O)[O-])CC[C@H]3[C@H]12	ZINC000118926479	569863774	/nfs/dbraw/zinc/86/37/74/569863774.db2.gz	FWTXKFKWESMCHS-RRHUREPESA-N	-1	0	476.654	5.620	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]12	ZINC000118926486	569863775	/nfs/dbraw/zinc/86/37/75/569863775.db2.gz	FWTXKFKWESMCHS-OVSJNOCLSA-N	-1	0	476.654	5.620	40	0		JKABRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](c5c([O-])[nH]c(=O)[nH]c5=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118928971	569863857	/nfs/dbraw/zinc/86/38/57/569863857.db2.gz	OAAAZVHOXPGMEK-AWLZHNIJSA-N	-1	0	496.736	6.626	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](c5c([O-])[nH]c(=O)[nH]c5=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118928973	569863868	/nfs/dbraw/zinc/86/38/68/569863868.db2.gz	OAAAZVHOXPGMEK-QXOLULDUSA-N	-1	0	496.736	6.626	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OCC(=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118929361	569863918	/nfs/dbraw/zinc/86/39/18/569863918.db2.gz	GFIJGEUKERLGTC-UCLAKPOVSA-N	-1	0	460.699	6.468	40	0		JKABRM
CC1(C)CC(=O)C(C(c2cc(Cl)cc(Br)c2[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000138364475	569865779	/nfs/dbraw/zinc/86/57/79/569865779.db2.gz	WJEWRGXSGWZQHI-UHFFFAOYSA-N	-1	0	497.813	5.041	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C\c1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1	ZINC000211422855	569876123	/nfs/dbraw/zinc/87/61/23/569876123.db2.gz	RQDSVFAHKJEOCN-UDWIEESQSA-N	-1	0	485.323	5.110	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1)C(=O)[O-]	ZINC000211512728	569876188	/nfs/dbraw/zinc/87/61/88/569876188.db2.gz	LBRXJGOUVQGRBF-AHNKUGAQSA-N	-1	0	474.582	5.745	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)[O-]	ZINC000211517454	569876205	/nfs/dbraw/zinc/87/62/05/569876205.db2.gz	ILBSJMXROGDXKN-LMMOQWNQSA-N	-1	0	453.347	5.082	40	0		JKABRM
CC(C)(OC(=O)[C@@H](CCC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1	ZINC000213348650	569876242	/nfs/dbraw/zinc/87/62/42/569876242.db2.gz	UFFILNXPAXHSBT-RUZDIDTESA-N	-1	0	487.552	5.237	40	0		JKABRM
COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccccc2)cc1	ZINC000215826310	569877786	/nfs/dbraw/zinc/87/77/86/569877786.db2.gz	PNHZQBLLCZBBFM-NCELDCMTSA-N	-1	0	485.565	5.070	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N1c2ccccc2Sc2ccccc21	ZINC000216476520	569879044	/nfs/dbraw/zinc/87/90/44/569879044.db2.gz	BQUDLPHACMDPGD-UHFFFAOYSA-N	-1	0	474.567	5.717	40	0		JKABRM
Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(=O)oc12	ZINC000217442783	569879969	/nfs/dbraw/zinc/87/99/69/569879969.db2.gz	NEMNQSJWPJSODF-KESTWPANSA-N	-1	0	487.552	5.373	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000222574212	569886047	/nfs/dbraw/zinc/88/60/47/569886047.db2.gz	CWIWYTREXJNGQX-GOSISDBHSA-N	-1	0	471.022	5.811	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000222574279	569886050	/nfs/dbraw/zinc/88/60/50/569886050.db2.gz	CWIWYTREXJNGQX-SFHVURJKSA-N	-1	0	471.022	5.811	40	0		JKABRM
COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c2ccccc12	ZINC000222595163	569886600	/nfs/dbraw/zinc/88/66/00/569886600.db2.gz	QNLCORUCRUWFJV-UHFFFAOYSA-N	-1	0	496.972	5.187	40	0		JKABRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3OCc3ccc(C(=O)[O-])cc3)N21	ZINC000222716888	569889453	/nfs/dbraw/zinc/88/94/53/569889453.db2.gz	BAAYCKPHQVCBPA-WUMKDDEVSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)c1	ZINC000222771760	569890707	/nfs/dbraw/zinc/89/07/07/569890707.db2.gz	UHJKSNUGLCYJEU-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)cc1C	ZINC000222771851	569890715	/nfs/dbraw/zinc/89/07/15/569890715.db2.gz	RZUKWZLCEPLFJW-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2Cl)c1	ZINC000222850077	569892640	/nfs/dbraw/zinc/89/26/40/569892640.db2.gz	IEOWGLZHOFWXDY-UHFFFAOYSA-N	-1	0	464.974	5.532	40	0		JKABRM
O=C(NCc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000222849901	569892662	/nfs/dbraw/zinc/89/26/62/569892662.db2.gz	VVKXRHWTEIDJJD-UHFFFAOYSA-N	-1	0	450.947	5.224	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2Cl)c1	ZINC000222850412	569892714	/nfs/dbraw/zinc/89/27/14/569892714.db2.gz	NQMNKVGJSSIFEV-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1Cl	ZINC000222934141	569894766	/nfs/dbraw/zinc/89/47/66/569894766.db2.gz	GVDFVUWYNRYWBW-GOSISDBHSA-N	-1	0	483.033	5.819	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Cl	ZINC000222934075	569894787	/nfs/dbraw/zinc/89/47/87/569894787.db2.gz	GVDFVUWYNRYWBW-SFHVURJKSA-N	-1	0	483.033	5.819	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)cc1	ZINC000222934356	569894825	/nfs/dbraw/zinc/89/48/25/569894825.db2.gz	ZMHXCJXVNYUBJB-SFHVURJKSA-N	-1	0	483.033	5.819	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1C	ZINC000222934507	569894832	/nfs/dbraw/zinc/89/48/32/569894832.db2.gz	LRDJKOPWAGZLLZ-IBGZPJMESA-N	-1	0	497.060	6.127	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)cc1C	ZINC000222934969	569894846	/nfs/dbraw/zinc/89/48/46/569894846.db2.gz	SQHLPUCZGZHPJI-IBGZPJMESA-N	-1	0	497.060	6.127	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1	ZINC000222963765	569895624	/nfs/dbraw/zinc/89/56/24/569895624.db2.gz	ITQFMUYNQIVACL-UHFFFAOYSA-N	-1	0	475.994	6.382	40	0		JKABRM
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222985863	569896219	/nfs/dbraw/zinc/89/62/19/569896219.db2.gz	XMGSAICIFOAKBF-NHCUHLMSSA-N	-1	0	455.967	5.466	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc2c(c1)CCCC2	ZINC000223056780	569897951	/nfs/dbraw/zinc/89/79/51/569897951.db2.gz	AHWYWYDJUXQVAT-XMMPIXPASA-N	-1	0	497.060	6.209	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc2c(c1)CCCC2	ZINC000223057157	569898046	/nfs/dbraw/zinc/89/80/46/569898046.db2.gz	HEOPEZSPKVTYCG-VWLOTQADSA-N	-1	0	497.060	6.209	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc2c(c1)CCCC2	ZINC000223057085	569898063	/nfs/dbraw/zinc/89/80/63/569898063.db2.gz	HEOPEZSPKVTYCG-RUZDIDTESA-N	-1	0	497.060	6.209	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc2c(c1)CCCC2	ZINC000223056934	569898067	/nfs/dbraw/zinc/89/80/67/569898067.db2.gz	WFKQJXWPCZRUEH-RUZDIDTESA-N	-1	0	497.060	6.209	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223118004	569899906	/nfs/dbraw/zinc/89/99/06/569899906.db2.gz	OPHOPNXWBOJXDZ-BJKOFHAPSA-N	-1	0	461.587	5.653	40	0		JKABRM
COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000223162167	569901577	/nfs/dbraw/zinc/90/15/77/569901577.db2.gz	KMBNDJMGZUEQLW-UHFFFAOYSA-N	-1	0	454.331	5.604	40	0		JKABRM
C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCC2	ZINC000223182757	569902551	/nfs/dbraw/zinc/90/25/51/569902551.db2.gz	FVARTQTWFMJROC-MRXNPFEDSA-N	-1	0	454.979	5.121	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)cc1	ZINC000223183206	569902566	/nfs/dbraw/zinc/90/25/66/569902566.db2.gz	KSMABZKSHDOTQK-KRWDZBQOSA-N	-1	0	469.006	5.429	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1NC(C)=O	ZINC000223212731	569903671	/nfs/dbraw/zinc/90/36/71/569903671.db2.gz	HCCNUTWLDCZMNS-UHFFFAOYSA-N	-1	0	493.075	6.113	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)s1	ZINC000223228071	569904176	/nfs/dbraw/zinc/90/41/76/569904176.db2.gz	LYJMARYRQCCGJN-UHFFFAOYSA-N	-1	0	497.067	5.364	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2Cl)c1	ZINC000223357652	569908517	/nfs/dbraw/zinc/90/85/17/569908517.db2.gz	SLAZRHNJDUEJLW-UHFFFAOYSA-N	-1	0	483.040	5.054	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1	ZINC000223364785	569908940	/nfs/dbraw/zinc/90/89/40/569908940.db2.gz	XEMLLRTUVGQCEN-YADHBBJMSA-N	-1	0	479.945	5.459	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223400490	569909914	/nfs/dbraw/zinc/90/99/14/569909914.db2.gz	CSCGTCWMGBOKOY-ZEQRLZLVSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223400441	569909948	/nfs/dbraw/zinc/90/99/48/569909948.db2.gz	CSCGTCWMGBOKOY-BJKOFHAPSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223402928	569910026	/nfs/dbraw/zinc/91/00/26/569910026.db2.gz	CMXOGAFNGJOHIS-BJKOFHAPSA-N	-1	0	489.984	5.866	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c(C)c1	ZINC000223428566	569911088	/nfs/dbraw/zinc/91/10/88/569911088.db2.gz	IWAFDYQZKGVCBE-HXUWFJFHSA-N	-1	0	485.049	6.174	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223437937	569911429	/nfs/dbraw/zinc/91/14/29/569911429.db2.gz	VTWFUPYRPKTFQN-JWQCQUIFSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223438199	569911449	/nfs/dbraw/zinc/91/14/49/569911449.db2.gz	QFKOELONDUUFRR-JWQCQUIFSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223437829	569911458	/nfs/dbraw/zinc/91/14/58/569911458.db2.gz	VTWFUPYRPKTFQN-RPBOFIJWSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223437763	569911464	/nfs/dbraw/zinc/91/14/64/569911464.db2.gz	VTWFUPYRPKTFQN-DQEYMECFSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223441024	569911486	/nfs/dbraw/zinc/91/14/86/569911486.db2.gz	HDRTUGYOUNUSLV-UIOOFZCWSA-N	-1	0	499.592	5.530	40	0		JKABRM
CCSc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000223460845	569912070	/nfs/dbraw/zinc/91/20/70/569912070.db2.gz	MQODQFJENINWHF-UHFFFAOYSA-N	-1	0	489.431	5.010	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2cccc3ccccc32)ccc1Cl	ZINC000223529308	569914723	/nfs/dbraw/zinc/91/47/23/569914723.db2.gz	UWWJRWILHYKFTN-UHFFFAOYSA-N	-1	0	495.000	5.411	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1	ZINC000223556567	569915905	/nfs/dbraw/zinc/91/59/05/569915905.db2.gz	SNSBRSSKSFLEQV-GOTSBHOMSA-N	-1	0	490.972	5.261	40	0		JKABRM
CC(C)c1ccccc1OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223767722	569922627	/nfs/dbraw/zinc/92/26/27/569922627.db2.gz	DHIPBQJJMNELPR-UHFFFAOYSA-N	-1	0	472.994	5.073	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223775930	569922936	/nfs/dbraw/zinc/92/29/36/569922936.db2.gz	OFABNWCACUCIRW-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223876140	569925873	/nfs/dbraw/zinc/92/58/73/569925873.db2.gz	BSZSUODGWMXYGC-RPWUZVMVSA-N	-1	0	471.538	5.231	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1	ZINC000223935041	569927756	/nfs/dbraw/zinc/92/77/56/569927756.db2.gz	RTUWDCNCZDUUKW-UHFFFAOYSA-N	-1	0	457.555	5.034	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1	ZINC000223934653	569927793	/nfs/dbraw/zinc/92/77/93/569927793.db2.gz	GBGPCIUIPDTBDP-UHFFFAOYSA-N	-1	0	456.523	5.948	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1Cl	ZINC000223957442	569928466	/nfs/dbraw/zinc/92/84/66/569928466.db2.gz	QJOHGDIAMWZARQ-UHFFFAOYSA-N	-1	0	492.000	5.687	40	0		JKABRM
CCCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000223960000	569928502	/nfs/dbraw/zinc/92/85/02/569928502.db2.gz	SBKGRIHEQZQUKH-UHFFFAOYSA-N	-1	0	487.021	5.211	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Cl)c1C	ZINC000223963347	569928603	/nfs/dbraw/zinc/92/86/03/569928603.db2.gz	RGIZFIMHLYRVDU-KRWDZBQOSA-N	-1	0	456.995	5.291	40	0		JKABRM
CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000223969686	569928869	/nfs/dbraw/zinc/92/88/69/569928869.db2.gz	RRBCHKUHMXCTGK-SFHVURJKSA-N	-1	0	451.032	5.704	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1	ZINC000223974221	569929069	/nfs/dbraw/zinc/92/90/69/569929069.db2.gz	QKCZLMSZLMRZCH-UHFFFAOYSA-N	-1	0	498.988	5.241	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223990426	569929633	/nfs/dbraw/zinc/92/96/33/569929633.db2.gz	QXBDXMFOEJQBJJ-RPBOFIJWSA-N	-1	0	498.564	5.175	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224032129	569931229	/nfs/dbraw/zinc/93/12/29/569931229.db2.gz	VJIMLHURZUTLIW-JWQCQUIFSA-N	-1	0	499.548	5.254	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224184147	569935570	/nfs/dbraw/zinc/93/55/70/569935570.db2.gz	HVZWYEXLLYCFFJ-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224184205	569935667	/nfs/dbraw/zinc/93/56/67/569935667.db2.gz	HVZWYEXLLYCFFJ-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224212603	569936714	/nfs/dbraw/zinc/93/67/14/569936714.db2.gz	CBWYSLQJWOFFEY-ZEQRLZLVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224218111	569936924	/nfs/dbraw/zinc/93/69/24/569936924.db2.gz	GEWWBWYNAHLSNE-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224248970	569938077	/nfs/dbraw/zinc/93/80/77/569938077.db2.gz	NGWNYCMAGBTNKI-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224250765	569938154	/nfs/dbraw/zinc/93/81/54/569938154.db2.gz	OJLXXRKOEQLZDV-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1C	ZINC000224278258	569939019	/nfs/dbraw/zinc/93/90/19/569939019.db2.gz	BYEGUTVEYCDRAN-DQEYMECFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C	ZINC000224283340	569939235	/nfs/dbraw/zinc/93/92/35/569939235.db2.gz	KAHIQJZGDXUPBA-IZZNHLLZSA-N	-1	0	483.593	6.142	40	0		JKABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1SCc1ccc(Cl)cc1)CCCC2	ZINC000224306741	569939931	/nfs/dbraw/zinc/93/99/31/569939931.db2.gz	XESNSQUWZGQGJL-UHFFFAOYSA-N	-1	0	474.047	6.321	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224345410	569941313	/nfs/dbraw/zinc/94/13/13/569941313.db2.gz	IHFGCJPPZKVBCU-JWQCQUIFSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)ccc21	ZINC000224347119	569941458	/nfs/dbraw/zinc/94/14/58/569941458.db2.gz	WKPLLDIXEYTDIZ-UHFFFAOYSA-N	-1	0	456.951	5.232	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224350608	569941559	/nfs/dbraw/zinc/94/15/59/569941559.db2.gz	VMPUZSFXSSHWGP-UIOOFZCWSA-N	-1	0	483.593	6.088	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224377761	569942507	/nfs/dbraw/zinc/94/25/07/569942507.db2.gz	ZGUPQENNLKQFSN-FTJBHMTQSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224381215	569942685	/nfs/dbraw/zinc/94/26/85/569942685.db2.gz	IVFAJLYASFCRFF-IZZNHLLZSA-N	-1	0	483.593	6.340	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224412336	569943781	/nfs/dbraw/zinc/94/37/81/569943781.db2.gz	KATWRBXEDUBREY-PKTZIBPZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224412372	569943806	/nfs/dbraw/zinc/94/38/06/569943806.db2.gz	KATWRBXEDUBREY-XZOQPEGZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224446003	569944778	/nfs/dbraw/zinc/94/47/78/569944778.db2.gz	YACZQVLADUNLKG-XZOQPEGZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224446210	569944807	/nfs/dbraw/zinc/94/48/07/569944807.db2.gz	NGNVPECYBCFCFS-XZOQPEGZSA-N	-1	0	459.502	5.356	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224447847	569944816	/nfs/dbraw/zinc/94/48/16/569944816.db2.gz	OLXBGCCGDKDCJP-DNQXCXABSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474344	569945500	/nfs/dbraw/zinc/94/55/00/569945500.db2.gz	UQQZUQCSWIAPNH-XZOQPEGZSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474077	569945523	/nfs/dbraw/zinc/94/55/23/569945523.db2.gz	ZPYQKUGWHULCOH-DHIUTWEWSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474393	569945528	/nfs/dbraw/zinc/94/55/28/569945528.db2.gz	UQQZUQCSWIAPNH-GOTSBHOMSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474160	569945537	/nfs/dbraw/zinc/94/55/37/569945537.db2.gz	ZPYQKUGWHULCOH-XZOQPEGZSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224477385	569945689	/nfs/dbraw/zinc/94/56/89/569945689.db2.gz	VTKXTDVJTHNEFS-GOTSBHOMSA-N	-1	0	475.957	5.870	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224477337	569945692	/nfs/dbraw/zinc/94/56/92/569945692.db2.gz	VTKXTDVJTHNEFS-XZOQPEGZSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224478882	569945704	/nfs/dbraw/zinc/94/57/04/569945704.db2.gz	YFPNJOKYGRCYRH-DNQXCXABSA-N	-1	0	489.984	6.179	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224546167	569947913	/nfs/dbraw/zinc/94/79/13/569947913.db2.gz	LDJFSUGNUXKCOG-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224548361	569947963	/nfs/dbraw/zinc/94/79/63/569947963.db2.gz	UCKRKUQTVKLSGG-JWQCQUIFSA-N	-1	0	485.565	5.534	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000224581811	569949451	/nfs/dbraw/zinc/94/94/51/569949451.db2.gz	CSMWFAJELIWZFG-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000224582281	569949467	/nfs/dbraw/zinc/94/94/67/569949467.db2.gz	WELJGMPZWQUEIO-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224619625	569951013	/nfs/dbraw/zinc/95/10/13/569951013.db2.gz	FCEIZCUQYAXAEK-ZEQRLZLVSA-N	-1	0	471.538	5.231	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224619475	569951035	/nfs/dbraw/zinc/95/10/35/569951035.db2.gz	FCEIZCUQYAXAEK-DNQXCXABSA-N	-1	0	471.538	5.231	40	0		JKABRM
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000224869291	569961004	/nfs/dbraw/zinc/96/10/04/569961004.db2.gz	XBUXRDCWRSKAQH-UHFFFAOYSA-N	-1	0	470.856	5.292	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cc1	ZINC000224869472	569961048	/nfs/dbraw/zinc/96/10/48/569961048.db2.gz	QKRJWJMTODCRBK-UHFFFAOYSA-N	-1	0	484.883	5.600	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224881844	569961743	/nfs/dbraw/zinc/96/17/43/569961743.db2.gz	TULMGPQOHZVSDY-XZOQPEGZSA-N	-1	0	491.956	5.576	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224881976	569961778	/nfs/dbraw/zinc/96/17/78/569961778.db2.gz	WVNQBPMNCOLHJC-PKTZIBPZSA-N	-1	0	491.956	5.576	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224881937	569961793	/nfs/dbraw/zinc/96/17/93/569961793.db2.gz	WVNQBPMNCOLHJC-DHIUTWEWSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1F	ZINC000224911171	569963032	/nfs/dbraw/zinc/96/30/32/569963032.db2.gz	SSLIDHPDSSJIBT-DNQXCXABSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1F	ZINC000224912815	569963166	/nfs/dbraw/zinc/96/31/66/569963166.db2.gz	MPBKDPMJMIDNNC-DQEYMECFSA-N	-1	0	487.556	5.973	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)cc1	ZINC000224954566	569964812	/nfs/dbraw/zinc/96/48/12/569964812.db2.gz	LDDNZGANEKLEEK-UHFFFAOYSA-N	-1	0	484.021	5.692	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)cc1C	ZINC000224954811	569964815	/nfs/dbraw/zinc/96/48/15/569964815.db2.gz	KTEOLHHTGORZBX-UHFFFAOYSA-N	-1	0	498.048	6.000	40	0		JKABRM
O=C([O-])c1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1Cl	ZINC000408600224	569968439	/nfs/dbraw/zinc/96/84/39/569968439.db2.gz	XDIPZMSYMKOITL-UHFFFAOYSA-N	-1	0	476.945	5.288	40	0		JKABRM
CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1	ZINC000408600811	569968780	/nfs/dbraw/zinc/96/87/80/569968780.db2.gz	COTHHNZNFZXOGQ-QGZVFWFLSA-N	-1	0	488.993	5.225	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2Cl)c1	ZINC000408602062	569969470	/nfs/dbraw/zinc/96/94/70/569969470.db2.gz	CDNKDXCRCNXFIB-UHFFFAOYSA-N	-1	0	491.012	5.969	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1	ZINC000225029361	569970203	/nfs/dbraw/zinc/97/02/03/569970203.db2.gz	LABLZNQULWHTAB-FCHUYYIVSA-N	-1	0	467.978	5.608	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408605373	569970700	/nfs/dbraw/zinc/97/07/00/569970700.db2.gz	GTNCRSHKMJDBOJ-UHFFFAOYSA-N	-1	0	470.363	6.046	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2Cl)c1	ZINC000408606570	569971189	/nfs/dbraw/zinc/97/11/89/569971189.db2.gz	KTSULHPPQCTGOJ-SFHVURJKSA-N	-1	0	456.995	5.200	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225052826	569972039	/nfs/dbraw/zinc/97/20/39/569972039.db2.gz	RIMRGXBQOSYTQY-IZZNHLLZSA-N	-1	0	497.624	5.045	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225052951	569972055	/nfs/dbraw/zinc/97/20/55/569972055.db2.gz	CPCYAIZHDDNTKH-FTJBHMTQSA-N	-1	0	497.624	5.045	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225052989	569972061	/nfs/dbraw/zinc/97/20/61/569972061.db2.gz	CPCYAIZHDDNTKH-IZZNHLLZSA-N	-1	0	497.624	5.045	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225052916	569972072	/nfs/dbraw/zinc/97/20/72/569972072.db2.gz	CPCYAIZHDDNTKH-CLJLJLNGSA-N	-1	0	497.624	5.045	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408609324	569972100	/nfs/dbraw/zinc/97/21/00/569972100.db2.gz	MZBWZLLTRFMHCV-UHFFFAOYSA-N	-1	0	476.754	6.000	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225055956	569972261	/nfs/dbraw/zinc/97/22/61/569972261.db2.gz	PYSVAAUGTUHAOT-IZZNHLLZSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055695	569972291	/nfs/dbraw/zinc/97/22/91/569972291.db2.gz	BFYIUTCCDMPNEP-CLJLJLNGSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225056055	569972306	/nfs/dbraw/zinc/97/23/06/569972306.db2.gz	LFULGFIHMPQTIP-CLJLJLNGSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225055998	569972307	/nfs/dbraw/zinc/97/23/07/569972307.db2.gz	PYSVAAUGTUHAOT-UIOOFZCWSA-N	-1	0	498.608	5.515	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl	ZINC000408610226	569972350	/nfs/dbraw/zinc/97/23/50/569972350.db2.gz	OJAHPHXTKNEVGT-UHFFFAOYSA-N	-1	0	490.781	6.391	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	ZINC000408610242	569972463	/nfs/dbraw/zinc/97/24/63/569972463.db2.gz	OMBXOIDNPWYXBM-UHFFFAOYSA-N	-1	0	468.937	5.375	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)c1	ZINC000408611007	569972532	/nfs/dbraw/zinc/97/25/32/569972532.db2.gz	PMSITJMQIBMZER-UHFFFAOYSA-N	-1	0	481.173	6.645	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408610965	569972545	/nfs/dbraw/zinc/97/25/45/569972545.db2.gz	PGBGSMVJXHCOAE-UHFFFAOYSA-N	-1	0	466.748	6.545	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)NC(C)C	ZINC000408610831	569972551	/nfs/dbraw/zinc/97/25/51/569972551.db2.gz	WCCIWWXULCEFMI-UHFFFAOYSA-N	-1	0	458.967	5.380	40	0		JKABRM
O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408613896	569973624	/nfs/dbraw/zinc/97/36/24/569973624.db2.gz	YJZYXEZXDMMJEY-UHFFFAOYSA-N	-1	0	478.957	6.185	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2Cl)c(C)c1	ZINC000408615327	569974598	/nfs/dbraw/zinc/97/45/98/569974598.db2.gz	OZLDOZQEJMVMLJ-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)c(C)c1	ZINC000225112013	569975549	/nfs/dbraw/zinc/97/55/49/569975549.db2.gz	OQAMKFZWHTUIHH-QFIPXVFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl	ZINC000408620285	569977743	/nfs/dbraw/zinc/97/77/43/569977743.db2.gz	NOJLAVABIOAGIR-UHFFFAOYSA-N	-1	0	459.011	5.148	40	0		JKABRM
CCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1C	ZINC000408620813	569977925	/nfs/dbraw/zinc/97/79/25/569977925.db2.gz	JXYMRJMTXODDJP-UHFFFAOYSA-N	-1	0	458.967	5.381	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)s1)c1ccc(Cl)cc1	ZINC000225151620	569978377	/nfs/dbraw/zinc/97/83/77/569978377.db2.gz	SRPSXFPOQWZAAM-UHFFFAOYSA-N	-1	0	484.946	5.144	40	0		JKABRM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c(OC)cc1Cl	ZINC000408623092	569979078	/nfs/dbraw/zinc/97/90/78/569979078.db2.gz	OVTBGBFIPXYAQX-UHFFFAOYSA-N	-1	0	495.384	5.372	40	0		JKABRM
CN([C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000225167420	569979626	/nfs/dbraw/zinc/97/96/26/569979626.db2.gz	VHTRHQXKNAWSJR-FQEVSTJZSA-N	-1	0	480.369	5.102	40	0		JKABRM
O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408624696	569979845	/nfs/dbraw/zinc/97/98/45/569979845.db2.gz	TXQZZBSYXLXUGF-UHFFFAOYSA-N	-1	0	489.302	6.065	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2Cl)cc1	ZINC000408625411	569980161	/nfs/dbraw/zinc/98/01/61/569980161.db2.gz	UVCDIXNRWWXZAV-SFHVURJKSA-N	-1	0	456.995	5.200	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000225182505	569980788	/nfs/dbraw/zinc/98/07/88/569980788.db2.gz	LUYPXOWLBAZJMT-GOSISDBHSA-N	-1	0	471.022	5.811	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2Cl)c1	ZINC000408627716	569981304	/nfs/dbraw/zinc/98/13/04/569981304.db2.gz	PCMQHCLAFODWDY-LJQANCHMSA-N	-1	0	471.022	5.509	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2Cl)cc1	ZINC000408629860	569981878	/nfs/dbraw/zinc/98/18/78/569981878.db2.gz	JFMFKDYKNCYCAX-UHFFFAOYSA-N	-1	0	458.967	5.489	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)cc1	ZINC000408629831	569981895	/nfs/dbraw/zinc/98/18/95/569981895.db2.gz	IRGUOBPLFOPFNR-UHFFFAOYSA-N	-1	0	459.011	5.148	40	0		JKABRM
CCCc1nc(SC(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n[nH]1	ZINC000408630523	569982285	/nfs/dbraw/zinc/98/22/85/569982285.db2.gz	BAFACQXWZDHXDU-WQRHYEAKSA-N	-1	0	464.374	5.861	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc(Br)c1OCc1ccccc1F	ZINC000408630559	569982352	/nfs/dbraw/zinc/98/23/52/569982352.db2.gz	BSWGNBXIHGTCEM-MFOYZWKCSA-N	-1	0	495.326	5.085	40	0		JKABRM
CCc1nnc(S/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408630790	569982447	/nfs/dbraw/zinc/98/24/47/569982447.db2.gz	CSLCRSAPBIAWLV-ODLFYWEKSA-N	-1	0	484.375	5.615	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cn(C(C)C)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408630817	569982592	/nfs/dbraw/zinc/98/25/92/569982592.db2.gz	CXIKKEBMLOLJTQ-JMIUGGIZSA-N	-1	0	468.966	5.887	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)[O-])n[nH]1	ZINC000408630960	569982624	/nfs/dbraw/zinc/98/26/24/569982624.db2.gz	DZIMQCOEHLOHJT-PDGQHHTCSA-N	-1	0	474.380	5.317	40	0		JKABRM
Cc1nnc(S/C(=C\c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])o1	ZINC000408631300	569982815	/nfs/dbraw/zinc/98/28/15/569982815.db2.gz	HCTIEKBBFRWKBF-ITYLOYPMSA-N	-1	0	493.588	7.029	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)[O-])n[nH]1	ZINC000408631345	569982835	/nfs/dbraw/zinc/98/28/35/569982835.db2.gz	HVBSXIZHXMXMGJ-MTJSOVHGSA-N	-1	0	495.944	5.814	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631241	569982854	/nfs/dbraw/zinc/98/28/54/569982854.db2.gz	GTAYIZFGCBCICA-UNOMPAQXSA-N	-1	0	459.955	5.216	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2Br)C(=O)[O-])o1	ZINC000408631218	569982862	/nfs/dbraw/zinc/98/28/62/569982862.db2.gz	GICBEXWDXYWAGM-ZDLGFXPLSA-N	-1	0	491.363	5.200	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631398	569982964	/nfs/dbraw/zinc/98/29/64/569982964.db2.gz	IKQNWCQMKTYOLH-UNOMPAQXSA-N	-1	0	459.955	5.216	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])ccc1OC(C)C	ZINC000408631439	569982982	/nfs/dbraw/zinc/98/29/82/569982982.db2.gz	JCPFCRINLSHVAY-JAIQZWGSSA-N	-1	0	489.981	5.537	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1	ZINC000408631532	569983099	/nfs/dbraw/zinc/98/30/99/569983099.db2.gz	KBVGXYZKBRZFMG-NVMNQCDNSA-N	-1	0	498.819	6.514	40	0		JKABRM
COc1ccc2ccccc2c1C=C(Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-]	ZINC000408631597	569983124	/nfs/dbraw/zinc/98/31/24/569983124.db2.gz	KOZBUFAVRGKECF-NDENLUEZSA-N	-1	0	467.934	5.513	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631767	569983203	/nfs/dbraw/zinc/98/32/03/569983203.db2.gz	LFWVHHLTRAIYCV-JMIUGGIZSA-N	-1	0	487.412	6.285	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408631791	569983248	/nfs/dbraw/zinc/98/32/48/569983248.db2.gz	LNRZHWAOFWLUCQ-XKZIYDEJSA-N	-1	0	468.575	5.753	40	0		JKABRM
O=C([O-])C(=Cc1cccc(OCc2ccccc2)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632009	569983314	/nfs/dbraw/zinc/98/33/14/569983314.db2.gz	CMUJQDUPLKUPMH-STZFKDTASA-N	-1	0	463.946	5.922	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)Sc1nc2ccccc2o1	ZINC000408631961	569983316	/nfs/dbraw/zinc/98/33/16/569983316.db2.gz	BSUKURFURHROKF-NHDPSOOVSA-N	-1	0	472.349	6.931	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(C)c(Br)c2)C(=O)[O-])o1	ZINC000408631914	569983317	/nfs/dbraw/zinc/98/33/17/569983317.db2.gz	HDSWTOMYONNWEC-PXNMLYILSA-N	-1	0	481.755	5.687	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[O-])n[nH]1	ZINC000408631916	569983333	/nfs/dbraw/zinc/98/33/33/569983333.db2.gz	NESWCPZUSNMRCA-MFOYZWKCSA-N	-1	0	450.347	5.471	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631984	569983366	/nfs/dbraw/zinc/98/33/66/569983366.db2.gz	CCJBZFDAIJLQFM-MOSHPQCFSA-N	-1	0	486.380	6.750	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccccc2OCc2ccccc2)C(=O)[O-])n[nH]1	ZINC000408632153	569983444	/nfs/dbraw/zinc/98/34/44/569983444.db2.gz	OCCXLGFHFAFMAF-XKZIYDEJSA-N	-1	0	493.972	5.931	40	0		JKABRM
Cc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])o1	ZINC000408632110	569983446	/nfs/dbraw/zinc/98/34/46/569983446.db2.gz	ZOWDPBBNEHKTAE-IDUWFGFVSA-N	-1	0	471.749	6.135	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)Sc1nc2ccccc2[nH]1	ZINC000408632043	569983476	/nfs/dbraw/zinc/98/34/76/569983476.db2.gz	CTOLYSWTJSLADH-MTJSOVHGSA-N	-1	0	471.365	6.667	40	0		JKABRM
COc1cccc([C@H](CC(=O)[O-])NC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)c1	ZINC000225222875	569983516	/nfs/dbraw/zinc/98/35/16/569983516.db2.gz	LRTPPIHUESLXOX-IBGZPJMESA-N	-1	0	474.007	5.397	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Cl)cc2Cl)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408632287	569983574	/nfs/dbraw/zinc/98/35/74/569983574.db2.gz	ILAWSLQGKBUSNX-NVMNQCDNSA-N	-1	0	480.373	5.507	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccccc2)c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632338	569983578	/nfs/dbraw/zinc/98/35/78/569983578.db2.gz	DNTGDKNHQGLLED-STZFKDTASA-N	-1	0	464.930	6.187	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(C)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408632269	569983610	/nfs/dbraw/zinc/98/36/10/569983610.db2.gz	PLBXMMMRVWJDLU-PXNMLYILSA-N	-1	0	480.771	5.422	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OC	ZINC000408632354	569983621	/nfs/dbraw/zinc/98/36/21/569983621.db2.gz	DVBMRQLTGUQVFB-UYRXBGFRSA-N	-1	0	459.955	5.244	40	0		JKABRM
CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1OCC	ZINC000408632231	569983633	/nfs/dbraw/zinc/98/36/33/569983633.db2.gz	PAKBUTNNOQBECI-ODLFYWEKSA-N	-1	0	475.954	5.149	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408632493	569983704	/nfs/dbraw/zinc/98/37/04/569983704.db2.gz	QNFVKPAFQRMYLY-UUYOSTAYSA-N	-1	0	454.548	5.499	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632407	569983720	/nfs/dbraw/zinc/98/37/20/569983720.db2.gz	FPQQDZCTQZUVCM-ZDLGFXPLSA-N	-1	0	493.755	7.175	40	0		JKABRM
CSc1ccc([C@H](CC(=O)[O-])NC(=S)Nc2c(C)cc(Br)cc2C)cc1	ZINC000225223966	569983769	/nfs/dbraw/zinc/98/37/69/569983769.db2.gz	ANJGSBHZYRZUEX-INIZCTEOSA-N	-1	0	453.427	5.290	40	0		JKABRM
Cc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Br	ZINC000408632391	569983784	/nfs/dbraw/zinc/98/37/84/569983784.db2.gz	FLCTVIDPKINUGG-DHDCSXOGSA-N	-1	0	450.745	5.414	40	0		JKABRM
Cc1cc(Br)cc(C)c1NC(=S)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1Cl	ZINC000225224175	569983794	/nfs/dbraw/zinc/98/37/94/569983794.db2.gz	FJPXYRJLYXAICV-HNNXBMFYSA-N	-1	0	476.223	5.875	40	0		JKABRM
COC(=O)c1cccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)c1	ZINC000408632398	569983813	/nfs/dbraw/zinc/98/38/13/569983813.db2.gz	FMGXXMRALKSODK-UNOMPAQXSA-N	-1	0	482.901	5.654	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)[O-])o1	ZINC000408632598	569983886	/nfs/dbraw/zinc/98/38/86/569983886.db2.gz	RRGVMZKMTVJRML-BOPFTXTBSA-N	-1	0	461.337	5.191	40	0		JKABRM
Cc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])o1	ZINC000408632587	569983892	/nfs/dbraw/zinc/98/38/92/569983892.db2.gz	ROHHPHFSXHPALF-MFOYZWKCSA-N	-1	0	481.755	5.591	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc(Cl)ccc3OC(C)C)C(=O)[O-])o2)c1	ZINC000408632559	569983947	/nfs/dbraw/zinc/98/39/47/569983947.db2.gz	JPYXNXWNZASLJU-VXLYETTFSA-N	-1	0	476.938	5.412	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)ccc1OCc1ccccc1)Sc1nc2ccccc2[nH]1	ZINC000408632670	569983948	/nfs/dbraw/zinc/98/39/48/569983948.db2.gz	GRBHMKCVJLDBRY-BKUYFWCQSA-N	-1	0	481.371	6.122	40	0		JKABRM
CCc1nc(SC(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408632804	569983983	/nfs/dbraw/zinc/98/39/83/569983983.db2.gz	SXRSOMKCGVIEDY-ODLFYWEKSA-N	-1	0	483.391	5.350	40	0		JKABRM
CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(SC)cc3)n2)cc1	ZINC000225226857	569984020	/nfs/dbraw/zinc/98/40/20/569984020.db2.gz	ABQSXUWVEVFKPZ-FQEVSTJZSA-N	-1	0	497.646	5.152	40	0		JKABRM
CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1Cl	ZINC000408632790	569984009	/nfs/dbraw/zinc/98/40/09/569984009.db2.gz	SPXVVHXQKOQEGU-MFOYZWKCSA-N	-1	0	466.346	5.404	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc(Cl)c1OC	ZINC000408632761	569984044	/nfs/dbraw/zinc/98/40/44/569984044.db2.gz	SGSMZAVIDSCUGK-MFOYZWKCSA-N	-1	0	496.372	5.412	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)[O-])o1	ZINC000408632717	569984073	/nfs/dbraw/zinc/98/40/73/569984073.db2.gz	JUEVUPMZBLLFDZ-VXLYETTFSA-N	-1	0	460.939	5.651	40	0		JKABRM
CCOC(=O)Cn1c(C)c(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc21	ZINC000408633003	569984115	/nfs/dbraw/zinc/98/41/15/569984115.db2.gz	IUBOKZZINPCXGO-NDENLUEZSA-N	-1	0	496.976	5.169	40	0		JKABRM
CC(C)Oc1ccc2ccccc2c1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408632970	569984185	/nfs/dbraw/zinc/98/41/85/569984185.db2.gz	IHBOWUSSVLHVRN-BKUYFWCQSA-N	-1	0	465.962	6.283	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)cc(Br)c1O)Sc1nc2ccccc2[nH]1	ZINC000408632994	569984220	/nfs/dbraw/zinc/98/42/20/569984220.db2.gz	IQZNPVUCSMXRCR-MLPAPPSSSA-N	-1	0	470.142	5.011	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2cccc3ccccc32)c1)Sc1nc2ccccc2o1	ZINC000408633013	569984222	/nfs/dbraw/zinc/98/42/22/569984222.db2.gz	IYGZYPZDPPIXCQ-XYGWBWBKSA-N	-1	0	453.519	6.778	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)[O-])n[nH]1	ZINC000408633107	569984325	/nfs/dbraw/zinc/98/43/25/569984325.db2.gz	VXEBUXZMKZRTHB-UNOMPAQXSA-N	-1	0	488.407	5.625	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)[O-])o1	ZINC000408633259	569984332	/nfs/dbraw/zinc/98/43/32/569984332.db2.gz	XHIHXHRETMULNJ-YVLHZVERSA-N	-1	0	451.331	5.736	40	0		JKABRM
Cc1cccc2c(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])c(-c3ccccc3)[nH]c21	ZINC000408633250	569984341	/nfs/dbraw/zinc/98/43/41/569984341.db2.gz	JJZIKHNTMFJCHE-STZFKDTASA-N	-1	0	487.968	7.065	40	0		JKABRM
COC(=O)c1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cc1	ZINC000408633235	569984350	/nfs/dbraw/zinc/98/43/50/569984350.db2.gz	JFCCBJXWIYSTGU-UNOMPAQXSA-N	-1	0	482.901	5.654	40	0		JKABRM
CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(Cl)cc3Cl)cc2s1	ZINC000225229970	569984428	/nfs/dbraw/zinc/98/44/28/569984428.db2.gz	FRNCUBLJGYSOAV-HNNXBMFYSA-N	-1	0	454.404	5.668	40	0		JKABRM
CCc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)[O-])o1	ZINC000408633414	569984436	/nfs/dbraw/zinc/98/44/36/569984436.db2.gz	YGLAXEHCVICUIC-MFOYZWKCSA-N	-1	0	451.331	5.736	40	0		JKABRM
O=C([O-])/C(=C/c1cc2c(cc1Br)OCO2)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633382	569984486	/nfs/dbraw/zinc/98/44/86/569984486.db2.gz	KGBQIBSAHFZKQL-UUASQNMZSA-N	-1	0	481.711	5.099	40	0		JKABRM
COC(=O)c1cc2cc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(Cl)cc3Cl)ccc2s1	ZINC000225231929	569984505	/nfs/dbraw/zinc/98/45/05/569984505.db2.gz	GLIKKKSPHJODFJ-OAHLLOKOSA-N	-1	0	483.398	5.497	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])o1	ZINC000408633433	569984594	/nfs/dbraw/zinc/98/45/94/569984594.db2.gz	YIWMTYPKUHVLBL-BOPFTXTBSA-N	-1	0	491.363	5.200	40	0		JKABRM
CCn1c(S/C(=C\c2cc(Br)ccc2OC)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633722	569984674	/nfs/dbraw/zinc/98/46/74/569984674.db2.gz	LSEPFLIZLOEFLE-BOPFTXTBSA-N	-1	0	494.798	5.607	40	0		JKABRM
COc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-]	ZINC000408633776	569984710	/nfs/dbraw/zinc/98/47/10/569984710.db2.gz	PFUZDFJYAORWEF-PXNMLYILSA-N	-1	0	453.303	5.278	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2cccc3ccccc32)cc1)Sc1nc2ccccc2o1	ZINC000408633666	569984721	/nfs/dbraw/zinc/98/47/21/569984721.db2.gz	LKQLSGLWAGSBSV-XYGWBWBKSA-N	-1	0	453.519	6.778	40	0		JKABRM
CC(C)Oc1ccc(Br)cc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408633653	569984728	/nfs/dbraw/zinc/98/47/28/569984728.db2.gz	LFORXZILVXEFGF-LICLKQGHSA-N	-1	0	494.798	5.893	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc2c(c1)OCO2	ZINC000408633737	569984734	/nfs/dbraw/zinc/98/47/34/569984734.db2.gz	LUXVUSQFROASHD-FMCGGJTJSA-N	-1	0	476.510	5.097	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc(Br)c1OC	ZINC000408633832	569984797	/nfs/dbraw/zinc/98/47/97/569984797.db2.gz	MHOWCQOSRYDVGA-YBEGLDIGSA-N	-1	0	450.310	5.215	40	0		JKABRM
CC(C)Oc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc12	ZINC000408634366	569985008	/nfs/dbraw/zinc/98/50/08/569985008.db2.gz	QDHVGBMJYZDVIP-BKUYFWCQSA-N	-1	0	465.962	6.283	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3c(OC(C)C)ccc4ccccc43)C(=O)[O-])n[nH]2)c1	ZINC000408634333	569985010	/nfs/dbraw/zinc/98/50/10/569985010.db2.gz	UNCOQWQVTOWUNL-UCQKPKSFSA-N	-1	0	491.569	5.647	40	0		JKABRM
CCn1c(S/C(=C\c2cc(Br)ccc2O)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634152	569985036	/nfs/dbraw/zinc/98/50/36/569985036.db2.gz	PRVAUPGTFVFCFV-YBEGLDIGSA-N	-1	0	480.771	5.304	40	0		JKABRM
Cc1ccc(Sc2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cc1	ZINC000408634113	569985045	/nfs/dbraw/zinc/98/50/45/569985045.db2.gz	PEXKYOKJLGSMND-PDGQHHTCSA-N	-1	0	469.975	6.396	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)Sc1nc2ccccc2[nH]1	ZINC000408634119	569985053	/nfs/dbraw/zinc/98/50/53/569985053.db2.gz	PHGOYNIIMVWHPH-MTJSOVHGSA-N	-1	0	454.910	6.152	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408634411	569985134	/nfs/dbraw/zinc/98/51/34/569985134.db2.gz	QWGQGSAHBJTAQF-XKZIYDEJSA-N	-1	0	467.930	6.287	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)cc(Br)c1O)Sc1nc2ccccc2o1	ZINC000408634625	569985255	/nfs/dbraw/zinc/98/52/55/569985255.db2.gz	SOVIDIPPOJCKFV-MLPAPPSSSA-N	-1	0	471.126	5.276	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(F)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634758	569985273	/nfs/dbraw/zinc/98/52/73/569985273.db2.gz	UARPXBLDQWYQJG-BKUYFWCQSA-N	-1	0	482.920	6.326	40	0		JKABRM
CCOc1c(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cccc1OC	ZINC000408634748	569985276	/nfs/dbraw/zinc/98/52/76/569985276.db2.gz	XFJNCRVNJPWARO-YVLHZVERSA-N	-1	0	462.911	5.024	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408634973	569985406	/nfs/dbraw/zinc/98/54/06/569985406.db2.gz	WABASFOPVLPESN-QRVIBDJDSA-N	-1	0	460.942	6.702	40	0		JKABRM
CCOc1c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cccc1OC	ZINC000408634911	569985444	/nfs/dbraw/zinc/98/54/44/569985444.db2.gz	XWYJITICIYECPG-AQTBWJFISA-N	-1	0	459.955	5.244	40	0		JKABRM
Cc1ccc(Sc2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cc1	ZINC000408635197	569985533	/nfs/dbraw/zinc/98/55/33/569985533.db2.gz	XYIBEAYBZZMOMX-PDGQHHTCSA-N	-1	0	470.959	6.660	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)Sc1nc2ccccc2[nH]1	ZINC000408635255	569985667	/nfs/dbraw/zinc/98/56/67/569985667.db2.gz	YQDDBQLXNXMGFY-MTJSOVHGSA-N	-1	0	499.361	6.261	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000408636408	569986717	/nfs/dbraw/zinc/98/67/17/569986717.db2.gz	PWYJWZVXJJULGP-UHFFFAOYSA-N	-1	0	498.910	5.729	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000225352653	569992359	/nfs/dbraw/zinc/99/23/59/569992359.db2.gz	FARJJQSECGTHHJ-CLJLJLNGSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000225355075	569992614	/nfs/dbraw/zinc/99/26/14/569992614.db2.gz	ZBCUODQUFCSUNU-IZZNHLLZSA-N	-1	0	499.592	6.004	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000225366583	569993287	/nfs/dbraw/zinc/99/32/87/569993287.db2.gz	FDAUSMOKDWUDFM-UHFFFAOYSA-N	-1	0	485.049	5.812	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000225565552	570006080	/nfs/dbraw/zinc/00/60/80/570006080.db2.gz	VCRCZOPHRUEPSX-SFHVURJKSA-N	-1	0	471.022	5.811	40	0		JKABRM
COC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225588983	570008063	/nfs/dbraw/zinc/00/80/63/570008063.db2.gz	PWOUHRSFYLGPIH-BSFXZMFCSA-N	-1	0	467.587	5.318	40	0		JKABRM
CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000408679890	570011963	/nfs/dbraw/zinc/01/19/63/570011963.db2.gz	MKECLGWOAFGHHM-HXUWFJFHSA-N	-1	0	497.375	5.729	40	0		JKABRM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3cccc(OC)c3)cc2sc1=O	ZINC000225698381	570015877	/nfs/dbraw/zinc/01/58/77/570015877.db2.gz	QTHXYWKSUWCPKE-UHFFFAOYSA-N	-1	0	490.990	5.338	40	0		JKABRM
O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1	ZINC000225784889	570021614	/nfs/dbraw/zinc/02/16/14/570021614.db2.gz	REFJMPPCCWZYDK-UHFFFAOYSA-N	-1	0	498.935	5.584	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000225803562	570022576	/nfs/dbraw/zinc/02/25/76/570022576.db2.gz	BBNHSBOMGCWRFX-GOSISDBHSA-N	-1	0	471.022	5.811	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000225803581	570022656	/nfs/dbraw/zinc/02/26/56/570022656.db2.gz	BBNHSBOMGCWRFX-SFHVURJKSA-N	-1	0	471.022	5.811	40	0		JKABRM
O=C([O-])c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1	ZINC000408703059	570022980	/nfs/dbraw/zinc/02/29/80/570022980.db2.gz	DLVSKLNUYKBOBR-QHCPKHFHSA-N	-1	0	466.946	5.065	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1	ZINC000408748471	570033193	/nfs/dbraw/zinc/03/31/93/570033193.db2.gz	ATBJIHSXXSXJFC-CABCVRRESA-N	-1	0	495.453	6.725	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1	ZINC000408748979	570033360	/nfs/dbraw/zinc/03/33/60/570033360.db2.gz	DDDFPLVSWYNGBC-CVEARBPZSA-N	-1	0	495.453	6.725	40	0		JKABRM
Cc1cc(C)c(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749380	570033585	/nfs/dbraw/zinc/03/35/85/570033585.db2.gz	GLSUMPOARUKEFR-MOPGFXCFSA-N	-1	0	468.644	6.343	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1	ZINC000408749697	570033702	/nfs/dbraw/zinc/03/37/02/570033702.db2.gz	IWIGLFAKJJWKJJ-IRXDYDNUSA-N	-1	0	489.018	5.754	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749822	570033792	/nfs/dbraw/zinc/03/37/92/570033792.db2.gz	JCLIPMRRULUYOK-QZTJIDSGSA-N	-1	0	497.642	5.473	40	0		JKABRM
COc1ccc(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750198	570033903	/nfs/dbraw/zinc/03/39/03/570033903.db2.gz	LLNNOSIPBVVBQI-MSOLQXFVSA-N	-1	0	456.589	5.427	40	0		JKABRM
Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750626	570034013	/nfs/dbraw/zinc/03/40/13/570034013.db2.gz	PMWIATXDTLNXHU-QZTJIDSGSA-N	-1	0	468.600	5.409	40	0		JKABRM
Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750627	570034029	/nfs/dbraw/zinc/03/40/29/570034029.db2.gz	PMWIATXDTLNXHU-ROUUACIJSA-N	-1	0	468.600	5.409	40	0		JKABRM
Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408750570	570034042	/nfs/dbraw/zinc/03/40/42/570034042.db2.gz	OVKKHYUYBZNLQQ-RTBURBONSA-N	-1	0	497.642	5.473	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1	ZINC000408750795	570034097	/nfs/dbraw/zinc/03/40/97/570034097.db2.gz	RVDDUVPNQHWYTJ-IRXDYDNUSA-N	-1	0	454.573	5.101	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408751100	570034315	/nfs/dbraw/zinc/03/43/15/570034315.db2.gz	WKTYMYRGOSOJMS-IRXDYDNUSA-N	-1	0	461.008	6.072	40	0		JKABRM
Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c(C)c1	ZINC000408751470	570034404	/nfs/dbraw/zinc/03/44/04/570034404.db2.gz	ZTMYIAKLUZNJST-UHFFFAOYSA-N	-1	0	462.596	6.464	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)cc(Br)c3[O-])S2)cc1	ZINC000408768611	570038398	/nfs/dbraw/zinc/03/83/98/570038398.db2.gz	YWTGPBBQKXLONU-ODZYNRFZSA-N	-1	0	484.213	5.079	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)cc1	ZINC000408775510	570040062	/nfs/dbraw/zinc/04/00/62/570040062.db2.gz	TXELADBEGGILNB-SNXNUMJZSA-N	-1	0	454.935	5.460	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)S2)cc1	ZINC000408790941	570043921	/nfs/dbraw/zinc/04/39/21/570043921.db2.gz	UPXMLLFMLYNBLH-AGIMELGASA-N	-1	0	454.935	5.460	40	0		JKABRM
CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408802175	570046050	/nfs/dbraw/zinc/04/60/50/570046050.db2.gz	YIFYKUQVTKBCMU-ARKTWFBQSA-N	-1	0	495.621	5.603	40	0		JKABRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408803096	570046545	/nfs/dbraw/zinc/04/65/45/570046545.db2.gz	LEUFGAZJWQZXCU-SUQVUWTNSA-N	-1	0	451.568	5.204	40	0		JKABRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1Nc1ccccc1	ZINC000408817511	570050957	/nfs/dbraw/zinc/05/09/57/570050957.db2.gz	VTPMLNSXVATPCE-HJJJKZITSA-N	-1	0	451.568	5.204	40	0		JKABRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408819258	570051547	/nfs/dbraw/zinc/05/15/47/570051547.db2.gz	YUMQYFPJVXYNQO-ZUZVBVLKSA-N	-1	0	465.595	5.594	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C	ZINC000245190595	570054721	/nfs/dbraw/zinc/05/47/21/570054721.db2.gz	WCGUUGGRBIKTOS-DPXSGXOQSA-N	-1	0	456.711	7.090	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1	ZINC000408875381	570061024	/nfs/dbraw/zinc/06/10/24/570061024.db2.gz	FBUVQJQOGHGCIY-XKZIYDEJSA-N	-1	0	479.941	5.854	40	0		JKABRM
O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2[O-])C1=O)Nc1cccc(C(F)(F)F)c1	ZINC000408876763	570061569	/nfs/dbraw/zinc/06/15/69/570061569.db2.gz	NMMRYRUNIJRSSA-RZNTYIFUSA-N	-1	0	491.274	5.393	40	0		JKABRM
Cc1ccc(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])cc1	ZINC000408878773	570062199	/nfs/dbraw/zinc/06/21/99/570062199.db2.gz	AYMHGQRIRCJSJU-UHFFFAOYSA-N	-1	0	450.301	5.094	40	0		JKABRM
CC(C)c1ccc(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])cc1	ZINC000408890141	570065417	/nfs/dbraw/zinc/06/54/17/570065417.db2.gz	OOLQRYTULWQJAA-UHFFFAOYSA-N	-1	0	478.355	5.909	40	0		JKABRM
O=C([O-])Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000408891628	570065862	/nfs/dbraw/zinc/06/58/62/570065862.db2.gz	UDPMOLZIUNHPCV-UHFFFAOYSA-N	-1	0	471.365	7.280	40	0		JKABRM
Cc1ccc(C)c(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])c1	ZINC000408894548	570066799	/nfs/dbraw/zinc/06/67/99/570066799.db2.gz	JOJHATXKFGFLPT-UHFFFAOYSA-N	-1	0	464.328	5.402	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Br)cc1	ZINC000247428978	570068057	/nfs/dbraw/zinc/06/80/57/570068057.db2.gz	UDZMUZLAPFJGPK-CJRSTVEYSA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Br)cc1	ZINC000247428998	570068174	/nfs/dbraw/zinc/06/81/74/570068174.db2.gz	UDZMUZLAPFJGPK-NEWJYFPISA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc2Cl)c1	ZINC000408902421	570069239	/nfs/dbraw/zinc/06/92/39/570069239.db2.gz	NKQHNYLKHRQKJO-FYJGNVAPSA-N	-1	0	465.914	5.858	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000408906861	570070922	/nfs/dbraw/zinc/07/09/22/570070922.db2.gz	JKNOTNIPAIKTRZ-UHFFFAOYSA-N	-1	0	468.575	5.054	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc(N2Cc3ccccc3C2)cc1	ZINC000408971346	570088816	/nfs/dbraw/zinc/08/88/16/570088816.db2.gz	GDZFXOAQGAKXNV-UHFFFAOYSA-N	-1	0	451.526	5.076	40	0		JKABRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2sc3cc(C)ccc3c2Cl)cc1	ZINC000408972294	570089051	/nfs/dbraw/zinc/08/90/51/570089051.db2.gz	OYKCLRNKTXJDIP-UHFFFAOYSA-N	-1	0	468.962	5.741	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1cccc2ccccc21	ZINC000408973013	570089099	/nfs/dbraw/zinc/08/90/99/570089099.db2.gz	XFCBLPVHNILSEX-UHFFFAOYSA-N	-1	0	463.331	5.472	40	0		JKABRM
O=C1N[C@H](c2ccc(OCc3ccccc3Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000408975454	570089656	/nfs/dbraw/zinc/08/96/56/570089656.db2.gz	KMZXTNVVUBPRCK-OAQYLSRUSA-N	-1	0	480.014	6.355	40	0		JKABRM
O=c1[nH]c(-c2cc(Br)cc(Br)c2[O-])nc2sc3c(c21)CCCCC3	ZINC000408994315	570094982	/nfs/dbraw/zinc/09/49/82/570094982.db2.gz	YJYFGUFEOWRCJX-UHFFFAOYSA-N	-1	0	470.186	5.563	40	0		JKABRM
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2c3ccccc3C[C@H]21	ZINC000408994440	570095158	/nfs/dbraw/zinc/09/51/58/570095158.db2.gz	HPFCNJAZHCAFKD-PTUXOGIPSA-N	-1	0	450.332	5.627	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)[O-])cccc4[C@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408995727	570095322	/nfs/dbraw/zinc/09/53/22/570095322.db2.gz	MZBOSMXKXDYFMN-NLDZOOGBSA-N	-1	0	461.561	6.743	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)[O-])cccc4[C@@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408995730	570095387	/nfs/dbraw/zinc/09/53/87/570095387.db2.gz	MZBOSMXKXDYFMN-ULNSLHSMSA-N	-1	0	461.561	6.743	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408996654	570095421	/nfs/dbraw/zinc/09/54/21/570095421.db2.gz	MALDDUJTSVUOKN-XNFLFYSQSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408996652	570095422	/nfs/dbraw/zinc/09/54/22/570095422.db2.gz	MALDDUJTSVUOKN-FGUUHEIUSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002156	570096589	/nfs/dbraw/zinc/09/65/89/570096589.db2.gz	YIYTWJGHSPVQCP-OWPQXHQJSA-N	-1	0	481.979	7.088	40	0		JKABRM
CCC[C@H]1CC[C@H](c2ccc([C@H]3CCCC[C@@]3(C(=O)[O-])[C@H]3CC[C@H](CCC)CC3)cc2)CC1	ZINC000255003870	570106370	/nfs/dbraw/zinc/10/63/70/570106370.db2.gz	DEFWTKBSRYXQMS-QLEQAGTBSA-N	-1	0	452.723	9.096	40	0		JKABRM
COc1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)ccc1OCc1ccc(Br)cc1	ZINC000256028207	570106846	/nfs/dbraw/zinc/10/68/46/570106846.db2.gz	YNEAFNVEEZHCSF-UHFFFAOYSA-N	-1	0	453.292	5.278	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1[C@H]1C[C@](C)(NC(C)=O)C[C@@H](c2cccc(Cl)c2)O1	ZINC000257201338	570108146	/nfs/dbraw/zinc/10/81/46/570108146.db2.gz	AHGKFYDXFDEAOJ-JBRSBNLGSA-N	-1	0	459.970	5.705	40	0		JKABRM
COc1cccc(-c2cc(-c3ccc(C)cc3OCC(=O)[O-])nn2CCc2ccccc2)c1OC	ZINC000257201836	570108279	/nfs/dbraw/zinc/10/82/79/570108279.db2.gz	AJFFDLBCUOYEOF-UHFFFAOYSA-N	-1	0	472.541	5.249	40	0		JKABRM
Cc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1	ZINC000257204367	570109146	/nfs/dbraw/zinc/10/91/46/570109146.db2.gz	AUFTZGNJMPFBOA-UHFFFAOYSA-N	-1	0	453.325	6.285	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1	ZINC000257207978	570110315	/nfs/dbraw/zinc/11/03/15/570110315.db2.gz	BKDZABRYTUQVIG-UHFFFAOYSA-N	-1	0	450.579	6.078	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257208760	570110535	/nfs/dbraw/zinc/11/05/35/570110535.db2.gz	BNMRHOOJOWCRTJ-PMERELPUSA-N	-1	0	471.597	5.516	40	0		JKABRM
CC(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1	ZINC000257209612	570110845	/nfs/dbraw/zinc/11/08/45/570110845.db2.gz	BRCFDEXKEWUQDM-UHFFFAOYSA-N	-1	0	481.379	7.100	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCC(=O)[O-])CCc3ccccc3)ccc2O1	ZINC000257214668	570112447	/nfs/dbraw/zinc/11/24/47/570112447.db2.gz	CMYNYYOQGCFRMD-SSEXGKCCSA-N	-1	0	471.597	5.102	40	0		JKABRM
COc1ccccc1N1C(=O)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O	ZINC000409059355	570113254	/nfs/dbraw/zinc/11/32/54/570113254.db2.gz	MPMFWDMBZTUHPK-ZSOIEALJSA-N	-1	0	485.153	5.167	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257217901	570113487	/nfs/dbraw/zinc/11/34/87/570113487.db2.gz	DBBDJKKKTMHNCZ-UHFFFAOYSA-N	-1	0	489.015	7.008	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1	ZINC000257218438	570113801	/nfs/dbraw/zinc/11/38/01/570113801.db2.gz	DDEBDFNVLXZPKT-UHFFFAOYSA-N	-1	0	458.533	6.300	40	0		JKABRM
Cc1cccc(OCCNc2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)c1C	ZINC000257220629	570114278	/nfs/dbraw/zinc/11/42/78/570114278.db2.gz	DLNMOFSFLBUBEL-UHFFFAOYSA-N	-1	0	455.942	5.132	40	0		JKABRM
Cc1cc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)cc1Br	ZINC000257223165	570114991	/nfs/dbraw/zinc/11/49/91/570114991.db2.gz	DWFDGJZPRLMEJS-UHFFFAOYSA-N	-1	0	477.786	6.061	40	0		JKABRM
CCCc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccccc3OC)n(CCc3ccccc3)n2)c1	ZINC000257224148	570115260	/nfs/dbraw/zinc/11/52/60/570115260.db2.gz	FAMZTTQTECEDQV-UHFFFAOYSA-N	-1	0	470.569	5.884	40	0		JKABRM
CC1(C)Cc2cc(CN(CC(=O)[O-])C(=O)CCn3c4ccccc4nc3C3CCCCC3)ccc2O1	ZINC000257224449	570115416	/nfs/dbraw/zinc/11/54/16/570115416.db2.gz	FBWLLGLSRDGDNB-UHFFFAOYSA-N	-1	0	489.616	5.301	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2c(C)cc(C(C)C)cc2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257224290	570115431	/nfs/dbraw/zinc/11/54/31/570115431.db2.gz	FBDVOXOHNIRRHK-ZEVJAHDQSA-N	-1	0	457.542	5.209	40	0		JKABRM
CC(C)Oc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@](C)(Cc2ccc(F)cc2)O3)cc1	ZINC000257225947	570115910	/nfs/dbraw/zinc/11/59/10/570115910.db2.gz	FINAAJXNFJABNV-LJAQVGFWSA-N	-1	0	491.559	5.276	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCC(=O)[O-])Cc3ccc(Cl)cc3)ccc2O1	ZINC000257230804	570117209	/nfs/dbraw/zinc/11/72/09/570117209.db2.gz	GDZVATFXZZHLNU-MUUNZHRXSA-N	-1	0	495.978	5.461	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCc3ccccc3F)CC(=O)[O-])ccc2O1	ZINC000257231780	570117547	/nfs/dbraw/zinc/11/75/47/570117547.db2.gz	GIEVYXKNVLZWNH-MHZLTWQESA-N	-1	0	499.941	5.324	40	0		JKABRM
COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2	ZINC000257234711	570118398	/nfs/dbraw/zinc/11/83/98/570118398.db2.gz	GUUPCDGASJVWKQ-SSEXGKCCSA-N	-1	0	487.596	5.482	40	0		JKABRM
CCCc1ccc(OCC(=O)[O-])c([C@H]2C[C@](C)(NC(C)=O)C[C@@H](c3ccc(Cl)cc3)O2)c1	ZINC000257234877	570118441	/nfs/dbraw/zinc/11/84/41/570118441.db2.gz	GVLBZTUKGHBPEO-JBRSBNLGSA-N	-1	0	459.970	5.244	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cccc(-c3ccccc3)c2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257235636	570118853	/nfs/dbraw/zinc/11/88/53/570118853.db2.gz	GYSKTSPIMSRNMP-OARDWFSCSA-N	-1	0	477.532	5.444	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CCC(=O)[O-])CCc4ccccc4)ccc3O2)cc1	ZINC000257235688	570118893	/nfs/dbraw/zinc/11/88/93/570118893.db2.gz	GYXQCNFYTJORNZ-JGCGQSQUSA-N	-1	0	499.651	5.835	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCC(=O)[O-])CCc4ccccc4)ccc3O2)cc1	ZINC000257235689	570118908	/nfs/dbraw/zinc/11/89/08/570118908.db2.gz	GYXQCNFYTJORNZ-YTTGMZPUSA-N	-1	0	499.651	5.835	40	0		JKABRM
CC(C)COc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257238370	570119600	/nfs/dbraw/zinc/11/96/00/570119600.db2.gz	HKROATVAPFHBDD-UHFFFAOYSA-N	-1	0	472.560	6.261	40	0		JKABRM
Cc1nc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(C(F)(F)F)c3)ccc2n1Cc1ccccc1	ZINC000257241643	570120679	/nfs/dbraw/zinc/12/06/79/570120679.db2.gz	HYWXQUPCKGNRMP-UHFFFAOYSA-N	-1	0	481.474	5.139	40	0		JKABRM
Cc1cc(OCc2nc(NCCOc3ccc(Cl)cc3)ncc2C(=O)[O-])cc(C)c1Cl	ZINC000257241502	570120680	/nfs/dbraw/zinc/12/06/80/570120680.db2.gz	HYGJNIGCVUELGV-UHFFFAOYSA-N	-1	0	462.333	5.168	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c(OCc2ccc(Cl)cc2)c1	ZINC000257243362	570121024	/nfs/dbraw/zinc/12/10/24/570121024.db2.gz	IGPBJYIKHSOKOQ-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
COc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)c3ccccc3n2)cc1	ZINC000257247948	570122578	/nfs/dbraw/zinc/12/25/78/570122578.db2.gz	JBGJIUGHRDEITK-UHFFFAOYSA-N	-1	0	488.971	5.723	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2S(=O)(=O)CCCc2ccccc2)nc1CCCc1ccccc1	ZINC000257248661	570122755	/nfs/dbraw/zinc/12/27/55/570122755.db2.gz	JERGQHWHQXMOEI-MHZLTWQESA-N	-1	0	492.641	5.055	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCC(=O)[O-])Cc3ccc(Cl)cc3)ccc2O1	ZINC000257248490	570122780	/nfs/dbraw/zinc/12/27/80/570122780.db2.gz	JDWOSDLYWVKZFJ-GDLZYMKVSA-N	-1	0	492.015	5.712	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257248904	570122934	/nfs/dbraw/zinc/12/29/34/570122934.db2.gz	JFTNQOAGRUNQSE-DEOSSOPVSA-N	-1	0	466.940	5.264	40	0		JKABRM
CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)[N-]S(=O)(=O)c3cccc(Cl)c3C)ccc1OC2(C)C	ZINC000257250634	570123351	/nfs/dbraw/zinc/12/33/51/570123351.db2.gz	JNJVLFCFCISXLY-BOCKYXSRSA-N	-1	0	492.037	5.575	40	0		JKABRM
Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3ccc(Br)cc3F)c(-c3ccccc3)c2c1	ZINC000257251767	570123565	/nfs/dbraw/zinc/12/35/65/570123565.db2.gz	JSCOOYIAWXHZQH-UHFFFAOYSA-N	-1	0	495.348	5.772	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(Br)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257254479	570124481	/nfs/dbraw/zinc/12/44/81/570124481.db2.gz	KDFSHEIWETVFAW-VWPQPMDRSA-N	-1	0	496.785	5.054	40	0		JKABRM
O=C([O-])CN(CCc1ccc(Cl)cc1)C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257255698	570124946	/nfs/dbraw/zinc/12/49/46/570124946.db2.gz	KIMZWJCAADWHFM-UHFFFAOYSA-N	-1	0	467.997	5.283	40	0		JKABRM
CN(CCCc1nc(N2CCC[C@@H]2c2ccc(Br)cc2)ncc1C(=O)[O-])c1ccccc1	ZINC000257256696	570125200	/nfs/dbraw/zinc/12/52/00/570125200.db2.gz	KMMKJZLQLYXYDF-HSZRJFAPSA-N	-1	0	495.421	5.348	40	0		JKABRM
CC(C)Oc1cccc(CN(CC(=O)[O-])C(=O)CCn2c3ccccc3nc2C2CCCCC2)c1	ZINC000257258554	570125796	/nfs/dbraw/zinc/12/57/96/570125796.db2.gz	KUNFTRYSAWQPTG-UHFFFAOYSA-N	-1	0	477.605	5.375	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2ccc(C(C)(C)C)cc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257260971	570126609	/nfs/dbraw/zinc/12/66/09/570126609.db2.gz	LFHKLUDEBDYCHK-PPJWLVRDSA-N	-1	0	473.997	5.589	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc2O1	ZINC000257261431	570126767	/nfs/dbraw/zinc/12/67/67/570126767.db2.gz	LHGYCFDVTXRTNM-HHHXNRCGSA-N	-1	0	499.941	5.210	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CC(=O)[O-])Cc4ccc(F)cc4)ccc3O2)cc1	ZINC000257261793	570126916	/nfs/dbraw/zinc/12/69/16/570126916.db2.gz	LIVVLFYZMJJJIH-SSEXGKCCSA-N	-1	0	489.587	5.541	40	0		JKABRM
CCn1cc(CCc2nc(NCCOc3ccc(Cl)cc3)ncc2C(=O)[O-])c2ccccc21	ZINC000257262918	570127346	/nfs/dbraw/zinc/12/73/46/570127346.db2.gz	LNQDIEGGULOEHJ-UHFFFAOYSA-N	-1	0	464.953	5.079	40	0		JKABRM
CC(C)c1ccccc1OCCNc1ncc(C(=O)[O-])c(CCCc2cn(C)c3ccccc23)n1	ZINC000257263922	570127624	/nfs/dbraw/zinc/12/76/24/570127624.db2.gz	LSARYJIMRWMYSJ-UHFFFAOYSA-N	-1	0	472.589	5.456	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)c(F)c1)O2	ZINC000257264755	570127820	/nfs/dbraw/zinc/12/78/20/570127820.db2.gz	LVXGYAWKQKKVME-MUUNZHRXSA-N	-1	0	495.978	5.493	40	0		JKABRM
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cc(Br)c([O-])c(Br)c1	ZINC000409100020	570127969	/nfs/dbraw/zinc/12/79/69/570127969.db2.gz	PGTCBBUXPFPRJI-KMKOMSMNSA-N	-1	0	463.047	5.429	40	0		JKABRM
CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409100858	570128428	/nfs/dbraw/zinc/12/84/28/570128428.db2.gz	VOMGUKMGOIDGEM-CXUHLZMHSA-N	-1	0	452.315	5.327	40	0		JKABRM
CC(C)c1ccc(OCCNc2ncc(C(=O)[O-])c(COc3ccc(F)c(Cl)c3)n2)cc1	ZINC000257267306	570128720	/nfs/dbraw/zinc/12/87/20/570128720.db2.gz	MGRUYRSPTLNKIW-UHFFFAOYSA-N	-1	0	459.905	5.161	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CC(=O)[O-])Cc4ccccc4)ccc3O2)cc1	ZINC000257268982	570129305	/nfs/dbraw/zinc/12/93/05/570129305.db2.gz	MOAUXWXUVVFXGE-SSEXGKCCSA-N	-1	0	471.597	5.402	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1F	ZINC000257270280	570129728	/nfs/dbraw/zinc/12/97/28/570129728.db2.gz	MTNAYHVLFXVYEU-UHFFFAOYSA-N	-1	0	480.923	5.309	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3Cl)ccc2O1	ZINC000257271588	570130187	/nfs/dbraw/zinc/13/01/87/570130187.db2.gz	MYYFZLXFPSCLAW-AREMUKBSSA-N	-1	0	484.379	5.657	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257275514	570131304	/nfs/dbraw/zinc/13/13/04/570131304.db2.gz	NPRUDDPTXKSDAY-MHZLTWQESA-N	-1	0	481.951	5.185	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Br)cc2)nc1COc1ccccc1Cl	ZINC000257275454	570131360	/nfs/dbraw/zinc/13/13/60/570131360.db2.gz	NPMFOWNWBBJKFB-IBGZPJMESA-N	-1	0	488.769	5.511	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@@](C)(Cc2ccc(C(C)C)cc2)O3)c1	ZINC000257277128	570131728	/nfs/dbraw/zinc/13/17/28/570131728.db2.gz	NWOCNJSCKHTBCE-JGCGQSQUSA-N	-1	0	499.651	5.753	40	0		JKABRM
COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409110906	570132073	/nfs/dbraw/zinc/13/20/73/570132073.db2.gz	ZMDCTCCHNQJVRO-UCQKPKSFSA-N	-1	0	457.526	5.516	40	0		JKABRM
C[C@@]1(Cc2ccccc2)CCc2cc(C(=O)[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2O1	ZINC000257282653	570133463	/nfs/dbraw/zinc/13/34/63/570133463.db2.gz	OUQKQXIYAFGXCX-DEOSSOPVSA-N	-1	0	489.515	5.151	40	0		JKABRM
CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CCc2ccccc2)n1	ZINC000257282431	570133478	/nfs/dbraw/zinc/13/34/78/570133478.db2.gz	OTTICUVBJGFOBZ-UHFFFAOYSA-N	-1	0	456.542	5.494	40	0		JKABRM
CC(=O)N[C@@H]1C[C@H](c2cc(-c3cccc(C(=O)[O-])c3)ccc2OCC(C)C)O[C@H](c2ccccc2)C1	ZINC000257283532	570133694	/nfs/dbraw/zinc/13/36/94/570133694.db2.gz	OYTCCBQCKFWJML-OWPQXHQJSA-N	-1	0	487.596	6.184	40	0		JKABRM
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c(OCC(=O)[O-])c1	ZINC000257285218	570134251	/nfs/dbraw/zinc/13/42/51/570134251.db2.gz	PGDWMJXCJDGCCB-UHFFFAOYSA-N	-1	0	462.933	5.585	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2	ZINC000257286794	570134661	/nfs/dbraw/zinc/13/46/61/570134661.db2.gz	PNBIAWDCDDZZFC-JGCGQSQUSA-N	-1	0	499.651	5.753	40	0		JKABRM
Cc1cc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)cc1Cl	ZINC000257286919	570134722	/nfs/dbraw/zinc/13/47/22/570134722.db2.gz	PNQQLEYQQBKWDF-UHFFFAOYSA-N	-1	0	481.379	6.538	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)CCc2ccc3c(c2)C[C@@](C)(Cc2ccc(C(C)C)cc2)O3)cc1	ZINC000257290210	570135555	/nfs/dbraw/zinc/13/55/55/570135555.db2.gz	QCASVOHMWKVZDR-JGCGQSQUSA-N	-1	0	499.651	6.101	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@](C)(Cc2ccc(Cl)c(F)c2)O3)cc1	ZINC000257291052	570135858	/nfs/dbraw/zinc/13/58/58/570135858.db2.gz	QFJUVUNDIDQMPS-NDEPHWFRSA-N	-1	0	495.978	5.380	40	0		JKABRM
CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1	ZINC000257296185	570137283	/nfs/dbraw/zinc/13/72/83/570137283.db2.gz	RBPOUZQLSWUUEI-UHFFFAOYSA-N	-1	0	486.568	5.503	40	0		JKABRM
COc1ccc(CN(Cc2ccc(C(C)C)cc2)C(=O)COc2c(OC)cccc2C(=O)[O-])cc1	ZINC000257296403	570137319	/nfs/dbraw/zinc/13/73/19/570137319.db2.gz	RCRDUUQGHQGMEW-UHFFFAOYSA-N	-1	0	477.557	5.133	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1COc1ccc(Cl)cc1	ZINC000257296546	570137455	/nfs/dbraw/zinc/13/74/55/570137455.db2.gz	RDHHQZOTRGZDFL-QHCPKHFHSA-N	-1	0	485.367	5.572	40	0		JKABRM
CN(Cc1cccc2ccccc21)c1ncc(C(=O)[O-])c(COc2ccc(F)c(Cl)c2)n1	ZINC000257300001	570138502	/nfs/dbraw/zinc/13/85/02/570138502.db2.gz	RSNBEWSCKWMORZ-UHFFFAOYSA-N	-1	0	451.885	5.336	40	0		JKABRM
CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@@H]3C[C@H]1C(C)(C)O2	ZINC000257302846	570139137	/nfs/dbraw/zinc/13/91/37/570139137.db2.gz	SERQSHJVHAZKQS-ZRXZBVFWSA-N	-1	0	457.611	5.093	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(C)C)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257303256	570139331	/nfs/dbraw/zinc/13/93/31/570139331.db2.gz	SGKFSQQLMIRFRN-ARNLJNQMSA-N	-1	0	459.970	5.414	40	0		JKABRM
Cc1c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	ZINC000409130616	570139934	/nfs/dbraw/zinc/13/99/34/570139934.db2.gz	IMRNFSQAQBZHIY-DJKKODMXSA-N	-1	0	475.353	5.426	40	0		JKABRM
Cc1ccc(COc2c(Cl)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)cc2Cl)cc1	ZINC000409130539	570139944	/nfs/dbraw/zinc/13/99/44/570139944.db2.gz	WHZWPBZRLMSWIM-LZYBPNLTSA-N	-1	0	452.315	5.002	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(C[C@H](O)CC)n1	ZINC000257306518	570140316	/nfs/dbraw/zinc/14/03/16/570140316.db2.gz	SUOGOIUDKYTAOX-LJQANCHMSA-N	-1	0	452.551	5.264	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)C1=O	ZINC000409132316	570140731	/nfs/dbraw/zinc/14/07/31/570140731.db2.gz	ZJKDRPUFGYLLCB-VXLYETTFSA-N	-1	0	488.348	5.847	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)N(CC(=O)[O-])Cc3c(F)cccc3Cl)ccc2O1	ZINC000257309353	570141114	/nfs/dbraw/zinc/14/11/14/570141114.db2.gz	UAPYREMRHZQQFS-AREMUKBSSA-N	-1	0	485.914	5.282	40	0		JKABRM
COc1cc(CCc2nc(N3CCC[C@@H]3c3ccc(Br)cc3)ncc2C(=O)[O-])ccc1C	ZINC000257311475	570141864	/nfs/dbraw/zinc/14/18/64/570141864.db2.gz	UJQCPORPAPJKKL-JOCHJYFZSA-N	-1	0	496.405	5.381	40	0		JKABRM
O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl	ZINC000409135345	570141990	/nfs/dbraw/zinc/14/19/90/570141990.db2.gz	UMNHHGDWRSTJTC-GZTJUZNOSA-N	-1	0	466.342	5.126	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2Cl)cc2c1O[C@@](C)(Cc1ccccc1F)C2	ZINC000257312160	570142172	/nfs/dbraw/zinc/14/21/72/570142172.db2.gz	UMSOCALNSRTPFJ-MHZLTWQESA-N	-1	0	497.950	5.151	40	0		JKABRM
COc1ccc(CN(C(=O)COc2c(Cl)cccc2C(=O)[O-])[C@@H](C)c2ccccc2)cc1OC	ZINC000257314533	570142854	/nfs/dbraw/zinc/14/28/54/570142854.db2.gz	UXKLKNXFHYDRBJ-KRWDZBQOSA-N	-1	0	483.948	5.224	40	0		JKABRM
COc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])[C@H](C)c2ccccc2)cc1OC	ZINC000257316186	570143297	/nfs/dbraw/zinc/14/32/97/570143297.db2.gz	VENHSBBRJOJAJC-HXUWFJFHSA-N	-1	0	491.584	5.694	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2cccc(Br)c2)nc1CCc1cccc(F)c1	ZINC000257316393	570143382	/nfs/dbraw/zinc/14/33/82/570143382.db2.gz	VFKDKCLFZXUZGL-OAQYLSRUSA-N	-1	0	470.342	5.203	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2cccc(Br)c2)nc1CCc1cccc(F)c1	ZINC000257316392	570143387	/nfs/dbraw/zinc/14/33/87/570143387.db2.gz	VFKDKCLFZXUZGL-NRFANRHFSA-N	-1	0	470.342	5.203	40	0		JKABRM
COc1cccc(-c2cc(-c3ccc(F)cc3OCC(=O)[O-])nn2CCc2ccccc2)c1OC	ZINC000257316866	570143548	/nfs/dbraw/zinc/14/35/48/570143548.db2.gz	VHISKTHOXZAANB-UHFFFAOYSA-N	-1	0	476.504	5.080	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C1=O	ZINC000409138915	570143603	/nfs/dbraw/zinc/14/36/03/570143603.db2.gz	JULWEDROQUWBKB-RGVLZGJSSA-N	-1	0	498.354	5.302	40	0		JKABRM
CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CC[NH+](Cc4ccccc4OCC(=O)[O-])CC3)C[C@@H]21	ZINC000257319370	570144179	/nfs/dbraw/zinc/14/41/79/570144179.db2.gz	VSCOMHYZVLUMKE-SQJMNOBHSA-N	-1	0	486.008	5.334	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(C)ccc3OCC(=O)[O-])nn2-c2ccc(Cl)cc2)c1OC	ZINC000257321437	570144805	/nfs/dbraw/zinc/14/48/05/570144805.db2.gz	WBRQRLVBROEMSM-UHFFFAOYSA-N	-1	0	478.932	5.649	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)C1=O	ZINC000409141847	570144944	/nfs/dbraw/zinc/14/49/44/570144944.db2.gz	JFNPFCFNHFEBFI-RGVLZGJSSA-N	-1	0	498.354	5.302	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2cccc(F)c2)cc2c1O[C@@](C)(Cc1ccc(Cl)cc1)C2	ZINC000257322325	570145298	/nfs/dbraw/zinc/14/52/98/570145298.db2.gz	WFMQUXSLODFIPY-MHZLTWQESA-N	-1	0	497.950	5.151	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257322923	570145440	/nfs/dbraw/zinc/14/54/40/570145440.db2.gz	WIAMOEYUVFERJT-LJAQVGFWSA-N	-1	0	492.015	5.365	40	0		JKABRM
CC(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c1	ZINC000257323583	570145569	/nfs/dbraw/zinc/14/55/69/570145569.db2.gz	WKZKRDVZILLGSI-UHFFFAOYSA-N	-1	0	474.988	6.700	40	0		JKABRM
COc1ccc(-c2cc(-c3cccc(OC)c3OC)n(-c3ccc(Cl)cc3)n2)c(OCC(=O)[O-])c1	ZINC000257323761	570145598	/nfs/dbraw/zinc/14/55/98/570145598.db2.gz	WLSUOBXPRSQFLG-UHFFFAOYSA-N	-1	0	494.931	5.349	40	0		JKABRM
COc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc2c1O[C@](C)(Cc1ccc(Cl)cc1)C2	ZINC000257324462	570145771	/nfs/dbraw/zinc/14/57/71/570145771.db2.gz	WOUDBIXEGVDNHF-MUUNZHRXSA-N	-1	0	493.987	5.054	40	0		JKABRM
CC(C)c1ccc(CN(Cc2ccccc2)C(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000257326072	570146227	/nfs/dbraw/zinc/14/62/27/570146227.db2.gz	WVRPTEKOFFWNOE-UHFFFAOYSA-N	-1	0	451.950	5.769	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257326996	570146681	/nfs/dbraw/zinc/14/66/81/570146681.db2.gz	WZKKJDYMQWYBKV-NDEPHWFRSA-N	-1	0	477.988	5.354	40	0		JKABRM
O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1Oc1ccc(Cl)cc1	ZINC000257329814	570147473	/nfs/dbraw/zinc/14/74/73/570147473.db2.gz	XLQBGUQDZQEOBF-UHFFFAOYSA-N	-1	0	466.740	5.014	40	0		JKABRM
C[C@@H](c1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1c(Cl)cccc1C(=O)[O-]	ZINC000257329925	570147583	/nfs/dbraw/zinc/14/75/83/570147583.db2.gz	XMAVCFJQKVOTRV-INIZCTEOSA-N	-1	0	458.341	5.860	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)o1	ZINC000409152587	570149525	/nfs/dbraw/zinc/14/95/25/570149525.db2.gz	JRSCLHBULRQDRF-JAIQZWGSSA-N	-1	0	498.354	5.952	40	0		JKABRM
CCCC(=O)N[C@]1(C)C[C@H](c2cc(Cl)cc(Br)c2[O-])O[C@@H]2C[C@H](C)CC[C@H]21	ZINC000257337390	570149720	/nfs/dbraw/zinc/14/97/20/570149720.db2.gz	YSPMYZXUFLOBFW-UMGDAMFDSA-N	-1	0	458.824	5.749	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCc3cccc(F)c3)CC(=O)[O-])ccc2O1	ZINC000257339077	570150157	/nfs/dbraw/zinc/15/01/57/570150157.db2.gz	ZACJHZRQIXJKIH-MHZLTWQESA-N	-1	0	499.941	5.324	40	0		JKABRM
CC(C)COc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257339446	570150249	/nfs/dbraw/zinc/15/02/49/570150249.db2.gz	ZBUHVWGMCVQMKA-UHFFFAOYSA-N	-1	0	489.015	6.775	40	0		JKABRM
C[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000257339596	570150302	/nfs/dbraw/zinc/15/03/02/570150302.db2.gz	ZCKRGCHLVWJCAE-INIZCTEOSA-N	-1	0	458.341	5.860	40	0		JKABRM
CCCOc1ccccc1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(CC(C)C)c1	ZINC000257340237	570150506	/nfs/dbraw/zinc/15/05/06/570150506.db2.gz	ZFDWSTSZMVISTK-UHFFFAOYSA-N	-1	0	486.033	6.113	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1	ZINC000257340961	570150723	/nfs/dbraw/zinc/15/07/23/570150723.db2.gz	ZIGNLXOPKWTDDG-UHFFFAOYSA-N	-1	0	458.533	6.211	40	0		JKABRM
COc1ccc([C@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)cc1	ZINC000257342271	570151028	/nfs/dbraw/zinc/15/10/28/570151028.db2.gz	ZNWLEXQEZVNZES-JOCHJYFZSA-N	-1	0	467.953	5.374	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2C1	ZINC000257511558	570154027	/nfs/dbraw/zinc/15/40/27/570154027.db2.gz	PGOYMURMZNDHNS-CPJDOEAKSA-N	-1	0	472.710	6.206	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(C3C4CC5CC(C4)CC3C5)cc2)c(Cl)c1Cl	ZINC000409172762	570155440	/nfs/dbraw/zinc/15/54/40/570155440.db2.gz	IHGBGWNJDHWLOY-UHFFFAOYSA-N	-1	0	466.430	6.343	40	0		JKABRM
O=S(=O)([N-]c1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(Br)s1	ZINC000409174423	570156195	/nfs/dbraw/zinc/15/61/95/570156195.db2.gz	SUARMASSZZZSOB-UHFFFAOYSA-N	-1	0	452.439	5.851	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3OCc3ccc(C(=O)[O-])cc3)N21	ZINC000260753048	570156609	/nfs/dbraw/zinc/15/66/09/570156609.db2.gz	BAAYCKPHQVCBPA-YGOYIFOWSA-N	-1	0	459.571	5.338	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)N21	ZINC000260762779	570157158	/nfs/dbraw/zinc/15/71/58/570157158.db2.gz	HKQZESGGPCZAKD-HUVFLSCGSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1Cl	ZINC000409177867	570157700	/nfs/dbraw/zinc/15/77/00/570157700.db2.gz	IGJTXIOSDCYACK-UUASQNMZSA-N	-1	0	471.749	5.336	40	0		JKABRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1	ZINC000409181926	570159609	/nfs/dbraw/zinc/15/96/09/570159609.db2.gz	GTZFRVBFBRXVRY-UHFFFAOYSA-N	-1	0	485.414	5.212	40	0		JKABRM
Cc1nnc(SC(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[O-])[nH]1	ZINC000409188674	570161229	/nfs/dbraw/zinc/16/12/29/570161229.db2.gz	JOVZWOXZEVKAKK-BWAHOGKJSA-N	-1	0	478.577	6.456	40	0		JKABRM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000409194614	570163070	/nfs/dbraw/zinc/16/30/70/570163070.db2.gz	PSPMDFSEJBAAIH-LSCVHKIXSA-N	-1	0	466.346	5.225	40	0		JKABRM
CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)c1	ZINC000409214450	570171681	/nfs/dbraw/zinc/17/16/81/570171681.db2.gz	XMEZSLPZOFORJA-NDENLUEZSA-N	-1	0	494.550	5.042	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)c1	ZINC000409229220	570177018	/nfs/dbraw/zinc/17/70/18/570177018.db2.gz	LMNLHGSHDYETNX-LPYMAVHISA-N	-1	0	479.941	5.854	40	0		JKABRM
[O-]c1c(Cl)cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1Cl	ZINC000329003921	570181204	/nfs/dbraw/zinc/18/12/04/570181204.db2.gz	KPIKSTFUADHFGQ-UHFFFAOYSA-N	-1	0	499.320	5.997	40	0		JKABRM
CC(C)(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329012635	570181627	/nfs/dbraw/zinc/18/16/27/570181627.db2.gz	MLJSSOFEUAVNOS-UHFFFAOYSA-N	-1	0	487.309	7.009	40	0		JKABRM
CCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OCC)c2)C1=O	ZINC000409241049	570181849	/nfs/dbraw/zinc/18/18/49/570181849.db2.gz	NAQOAMWQEUISQQ-XDHOZWIPSA-N	-1	0	475.950	5.462	40	0		JKABRM
CC[C@H](C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329032247	570182347	/nfs/dbraw/zinc/18/23/47/570182347.db2.gz	QNUBWFNDWHVPRI-NSHDSACASA-N	-1	0	487.309	5.852	40	0		JKABRM
CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O	ZINC000409243367	570183001	/nfs/dbraw/zinc/18/30/01/570183001.db2.gz	VXNZQNVMNRUACW-WOJGMQOQSA-N	-1	0	476.348	5.173	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1	ZINC000409244559	570183481	/nfs/dbraw/zinc/18/34/81/570183481.db2.gz	FMUHJWDQVNQSKJ-ODLFYWEKSA-N	-1	0	456.882	5.205	40	0		JKABRM
Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4ccc(C(=O)[O-])cc4)ccc4ccccc43)C2=O)cc1	ZINC000409244888	570183718	/nfs/dbraw/zinc/18/37/18/570183718.db2.gz	KCBZQJYYCLHAFT-WGOQTCKBSA-N	-1	0	492.531	5.518	40	0		JKABRM
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409246928	570184542	/nfs/dbraw/zinc/18/45/42/570184542.db2.gz	LFVLATZYDWYECS-WOJGMQOQSA-N	-1	0	461.923	5.072	40	0		JKABRM
Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C2=O)cc1	ZINC000409247517	570184824	/nfs/dbraw/zinc/18/48/24/570184824.db2.gz	HYNABHJAKRSHRJ-LPYMAVHISA-N	-1	0	476.916	5.019	40	0		JKABRM
O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc(Cl)c2[O-])C1=O)Nc1ccccc1Cl	ZINC000409250896	570185789	/nfs/dbraw/zinc/18/57/89/570185789.db2.gz	ORDSLXFHTXSDBN-MKMNVTDBSA-N	-1	0	457.722	5.027	40	0		JKABRM
COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000408544133	570192331	/nfs/dbraw/zinc/19/23/31/570192331.db2.gz	HLGXHZHDDOACTJ-UHFFFAOYSA-N	-1	0	458.967	5.327	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)c1	ZINC000408544756	570192593	/nfs/dbraw/zinc/19/25/93/570192593.db2.gz	JIPNAVJQSNLJJS-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)c1C	ZINC000408545925	570193081	/nfs/dbraw/zinc/19/30/81/570193081.db2.gz	BRWDOLWIULCTHS-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1Cl	ZINC000408545931	570193084	/nfs/dbraw/zinc/19/30/84/570193084.db2.gz	BWGMAMDBSQVINF-UHFFFAOYSA-N	-1	0	479.385	5.672	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)c1	ZINC000408545852	570193089	/nfs/dbraw/zinc/19/30/89/570193089.db2.gz	OXOBZOOAQREWIP-UHFFFAOYSA-N	-1	0	483.033	5.544	40	0		JKABRM
Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1	ZINC000408546117	570193267	/nfs/dbraw/zinc/19/32/67/570193267.db2.gz	QUDHNUKOOIUAPP-UHFFFAOYSA-N	-1	0	456.995	5.935	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2Cl)c1	ZINC000408546216	570193335	/nfs/dbraw/zinc/19/33/35/570193335.db2.gz	CVNNBEFPMFXVJK-UHFFFAOYSA-N	-1	0	471.022	6.442	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl	ZINC000408548238	570194119	/nfs/dbraw/zinc/19/41/19/570194119.db2.gz	QTWHWYGEQJZWIC-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000408549335	570194586	/nfs/dbraw/zinc/19/45/86/570194586.db2.gz	XOSAOZNDYNYOOU-UHFFFAOYSA-N	-1	0	465.358	5.364	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(=O)c1ccccc1	ZINC000408557548	570198303	/nfs/dbraw/zinc/19/83/03/570198303.db2.gz	NPMBQWXCMYAVCJ-UHFFFAOYSA-N	-1	0	474.538	5.541	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2Cl)c1	ZINC000408561454	570201075	/nfs/dbraw/zinc/20/10/75/570201075.db2.gz	SQMWVMYSVKSAHL-UHFFFAOYSA-N	-1	0	495.384	5.454	40	0		JKABRM
O=C([O-])c1cc(N(Cc2ccccc2C(F)(F)F)C(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000408565037	570203055	/nfs/dbraw/zinc/20/30/55/570203055.db2.gz	HHNIVZBSTVFBFQ-UHFFFAOYSA-N	-1	0	484.474	5.087	40	0		JKABRM
O=C([O-])c1cc(N(Cc2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000408570089	570204518	/nfs/dbraw/zinc/20/45/18/570204518.db2.gz	YPZNYVZXVFHGQM-UHFFFAOYSA-N	-1	0	492.575	5.735	40	0		JKABRM
O=C(Nc1c(Cl)cccc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408578873	570206409	/nfs/dbraw/zinc/20/64/09/570206409.db2.gz	BHPZCXTYALUTCN-UHFFFAOYSA-N	-1	0	455.750	5.700	40	0		JKABRM
O=C([O-])c1cccc(CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c1	ZINC000408582048	570206917	/nfs/dbraw/zinc/20/69/17/570206917.db2.gz	LKKWPNKSZMIQIA-UHFFFAOYSA-N	-1	0	469.282	5.915	40	0		JKABRM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1OCC	ZINC000408585040	570207844	/nfs/dbraw/zinc/20/78/44/570207844.db2.gz	AZBVIKBWYIFUTO-UHFFFAOYSA-N	-1	0	456.520	5.247	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1)N1CCCCC1	ZINC000408588090	570208498	/nfs/dbraw/zinc/20/84/98/570208498.db2.gz	CCZRDYRIUITXIO-UHFFFAOYSA-N	-1	0	461.893	5.177	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000038852736	574414409	/nfs/dbraw/zinc/41/44/09/574414409.db2.gz	FIWGZIBLJWZUEA-QIAPHVGXSA-N	-1	0	498.748	8.115	40	0	endogenous,in-man	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@]1(C)O	ZINC000257473503	291547641	/nfs/dbraw/zinc/54/76/41/291547641.db2.gz	LJORXTIGOHMBOS-OJKHWWRKSA-N	-1	0	486.693	5.383	40	0	biogenic,in-vitro	JKABRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(Cl)cc1	ZINC000004199836	194384242	/nfs/dbraw/zinc/38/42/42/194384242.db2.gz	WREFFVGYBCSQGV-NONVJHHQSA-N	-1	0	461.967	5.239	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1	ZINC000004199822	194384273	/nfs/dbraw/zinc/38/42/73/194384273.db2.gz	KLURAKFRZWRWTE-BWPNAZKDSA-N	-1	0	455.576	5.202	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c3ccccc32)c1	ZINC000009265303	194647539	/nfs/dbraw/zinc/64/75/39/194647539.db2.gz	YUDGKCDLGJBHKN-YDZHTSKRSA-N	-1	0	485.927	5.134	40	0		JKABRM
CC/C(=C\C=C\[C@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@H]1C	ZINC000009779016	194957266	/nfs/dbraw/zinc/95/72/66/194957266.db2.gz	HSZFOQSMGNAIJM-WKGKNAFASA-N	-1	0	465.634	6.213	40	0		JKABRM
O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc21	ZINC000020765853	195221034	/nfs/dbraw/zinc/22/10/34/195221034.db2.gz	ZZLQLOXDUJMDDY-UHFFFAOYSA-N	-1	0	484.577	5.873	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1	ZINC000020766509	195222041	/nfs/dbraw/zinc/22/20/41/195222041.db2.gz	LIMBOMBNEHZUTR-UHFFFAOYSA-N	-1	0	470.978	5.051	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1	ZINC000020767247	195222916	/nfs/dbraw/zinc/22/29/16/195222916.db2.gz	WGBUHVJFBXEISH-UHFFFAOYSA-N	-1	0	470.978	5.051	40	0		JKABRM
Cc1ccc(COc2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])cc2)cc1	ZINC000408634574	195480859	/nfs/dbraw/zinc/48/08/59/195480859.db2.gz	RURGLMKPVNGJJD-HMAPJEAMSA-N	-1	0	478.957	6.495	40	0		JKABRM
CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)[O-]	ZINC000408634877	195482192	/nfs/dbraw/zinc/48/21/92/195482192.db2.gz	XNUYOOGLZPCEJP-PDGQHHTCSA-N	-1	0	464.374	5.888	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000096295972	130051757	/nfs/dbraw/zinc/05/17/57/130051757.db2.gz	BYWZDPHXZQSASO-VGIVFFBQSA-N	-1	0	486.693	5.385	40	0	biogenic,in-vitro	JKABRM
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)[n-]c2=O)cc1	ZINC000016806944	519008717	/nfs/dbraw/zinc/00/87/17/519008717.db2.gz	DRROCKILWSBPLD-UHFFFAOYSA-N	-1	0	463.390	5.579	40	0		JKABRM
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@@]3(C)CC[C@H]12	ZINC000036265370	520636066	/nfs/dbraw/zinc/63/60/66/520636066.db2.gz	JZFSMVXQUWRSIW-NACCXCFSSA-N	-1	0	456.711	7.234	40	0		JKABRM
CCOc1cc(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-]	ZINC000027626184	520691866	/nfs/dbraw/zinc/69/18/66/520691866.db2.gz	MHMMEOVDUOZDJA-AREMUKBSSA-N	-1	0	486.612	5.417	40	0	in-vitro	JKABRM
CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1	ZINC000016777495	521278633	/nfs/dbraw/zinc/27/86/33/521278633.db2.gz	SOHCURPCHJSMCO-UHFFFAOYSA-N	-1	0	450.608	5.615	40	0		JKABRM
CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000044905107	521499902	/nfs/dbraw/zinc/49/99/02/521499902.db2.gz	UHJLPORPOMCMGH-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccccc1	ZINC000020459859	522534587	/nfs/dbraw/zinc/53/45/87/522534587.db2.gz	XZAHEOCPIPHCAQ-NRFANRHFSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(C)cc1	ZINC000020452888	522535249	/nfs/dbraw/zinc/53/52/49/522535249.db2.gz	MNUWKRWFVSIBOY-QFIPXVFZSA-N	-1	0	471.022	5.947	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(OC)cc1	ZINC000044901197	522535272	/nfs/dbraw/zinc/53/52/72/522535272.db2.gz	QXSYZXMXZISPHY-QHCPKHFHSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000020492700	523051386	/nfs/dbraw/zinc/05/13/86/523051386.db2.gz	DCGRMERAIABMGW-HSZRJFAPSA-N	-1	0	482.602	5.217	40	0		JKABRM
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000044885602	523083022	/nfs/dbraw/zinc/08/30/22/523083022.db2.gz	BRKNIJPBTZGYBW-QGZVFWFLSA-N	-1	0	468.025	5.107	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1	ZINC000020461512	523843639	/nfs/dbraw/zinc/84/36/39/523843639.db2.gz	LTWYWAODRITMDB-HXUWFJFHSA-N	-1	0	482.602	5.136	40	0		JKABRM
Cc1ccc(C)c([C@H]2C[C@@H]([C@@H](C)c3ccccc3)Nc3c(C(=O)[O-])cc(Br)cc32)c1	ZINC000012447141	524211984	/nfs/dbraw/zinc/21/19/84/524211984.db2.gz	IMXDIIJFEQFWHF-UQJUWTFNSA-N	-1	0	464.403	6.884	40	0		JKABRM
COc1ccc(N(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2n[n-]c(=S)s2)cc1	ZINC000016768822	524363036	/nfs/dbraw/zinc/36/30/36/524363036.db2.gz	BLBNOUMIMSLDHI-UHFFFAOYSA-N	-1	0	475.810	5.946	40	0		JKABRM
COc1ccc(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c2n[n-]c(=S)s2)cc1	ZINC000016768790	524365613	/nfs/dbraw/zinc/36/56/13/524365613.db2.gz	UGPJUUMLMBQGLC-UHFFFAOYSA-N	-1	0	464.572	5.778	40	0		JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@H]2[C@@H]1C	ZINC000076945340	524623388	/nfs/dbraw/zinc/62/33/88/524623388.db2.gz	JXSVIVRDWWRQRT-ZWKZVQSZSA-N	-1	0	488.709	5.033	40	0	in-vitro	JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2Cl)c1	ZINC000044844970	524690416	/nfs/dbraw/zinc/69/04/16/524690416.db2.gz	VLKAIOZJHVZEKV-HSZRJFAPSA-N	-1	0	471.022	5.966	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C	ZINC000004273371	524715119	/nfs/dbraw/zinc/71/51/19/524715119.db2.gz	WCGUUGGRBIKTOS-GUKDMDHMSA-N	-1	0	456.711	7.090	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000070450908	524715766	/nfs/dbraw/zinc/71/57/66/524715766.db2.gz	OXVUXGFZHDKYLS-OUPOMSJESA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
COc1ccc(OC)c(N(CC(=O)Nc2cccc3ccccc32)c2n[n-]c(=S)s2)c1	ZINC000016768848	524842188	/nfs/dbraw/zinc/84/21/88/524842188.db2.gz	ITBKTTUPEPJTRH-UHFFFAOYSA-N	-1	0	452.561	5.148	40	0		JKABRM
COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000020456360	525175316	/nfs/dbraw/zinc/17/53/16/525175316.db2.gz	YAQCBVVSZCEEAC-OAQYLSRUSA-N	-1	0	458.605	5.075	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl	ZINC000020459786	525272909	/nfs/dbraw/zinc/27/29/09/525272909.db2.gz	BUTDLNHTMJOMFC-QHCPKHFHSA-N	-1	0	471.022	5.966	40	0		JKABRM
Cc1ccccc1[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1	ZINC000044885642	525427788	/nfs/dbraw/zinc/42/77/88/525427788.db2.gz	GYIXHBIZXIGVRJ-AREMUKBSSA-N	-1	0	491.012	5.969	40	0		JKABRM
Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1	ZINC000020494013	525429180	/nfs/dbraw/zinc/42/91/80/525429180.db2.gz	SYAZGDUXGIPQMC-XMMPIXPASA-N	-1	0	462.596	5.377	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3s2)cc1	ZINC000020368349	525618010	/nfs/dbraw/zinc/61/80/10/525618010.db2.gz	CNJGOOQCACHPJU-UHFFFAOYSA-N	-1	0	481.643	5.560	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(C)c1	ZINC000044880197	525716077	/nfs/dbraw/zinc/71/60/77/525716077.db2.gz	YWXJEXYKPDOPDY-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000020451361	525910958	/nfs/dbraw/zinc/91/09/58/525910958.db2.gz	FBKCAQDXZAQMGI-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
O=C([O-])c1cc(Cl)cc2c1N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]21	ZINC000033821670	526346009	/nfs/dbraw/zinc/34/60/09/526346009.db2.gz	RDFIXTNXKOUBJW-AAGDBJFFSA-N	-1	0	489.843	7.372	40	0		JKABRM
Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)[O-])cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1	ZINC000043206034	526874995	/nfs/dbraw/zinc/87/49/95/526874995.db2.gz	QJZQFVRFJCGDKF-UHFFFAOYSA-N	-1	0	473.516	6.092	40	0	in-vitro	JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1	ZINC000020460600	527256019	/nfs/dbraw/zinc/25/60/19/527256019.db2.gz	OQVJUXGMVLIMBC-JJIBRWJFSA-N	-1	0	489.984	5.715	40	0		JKABRM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1	ZINC000033657265	527571803	/nfs/dbraw/zinc/57/18/03/527571803.db2.gz	LLZZKDDEAGYORC-RWRBZCLOSA-N	-1	0	457.357	5.981	40	0		JKABRM
O=C([O-])[C@@H](Cc1c[nH]c2cccc(Cl)c12)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000044909919	527646949	/nfs/dbraw/zinc/64/69/49/527646949.db2.gz	XRXGWEBMYWNTCH-HSZRJFAPSA-N	-1	0	460.917	5.356	40	0		JKABRM
CCOc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21	ZINC000102915459	535517687	/nfs/dbraw/zinc/51/76/87/535517687.db2.gz	OJOOTGVNBJKFNB-LSYYVWMOSA-N	-1	0	493.515	5.157	40	0		JKABRM
COc1ccc(-n2c(-c3ccc(Cl)cc3)nnc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000000873104	553810788	/nfs/dbraw/zinc/81/07/88/553810788.db2.gz	GPOUXKOSYOVWCU-UHFFFAOYSA-N	-1	0	475.357	5.051	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-]	ZINC000252516950	574421074	/nfs/dbraw/zinc/42/10/74/574421074.db2.gz	YJBVHJIKNLBFDX-HCEYVASISA-N	-1	0	498.748	7.660	40	0	endogenous,in-man	JKABRM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@]1(C)C(=O)[O-]	ZINC000252516953	574421124	/nfs/dbraw/zinc/42/11/24/574421124.db2.gz	YJBVHJIKNLBFDX-PCNFCKQASA-N	-1	0	498.748	7.660	40	0	endogenous,in-man	JKABRM
CC(=O)c1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)cc(C(C)=O)c3O)c2O)c1[O-]	ZINC000001680963	553982392	/nfs/dbraw/zinc/98/23/92/553982392.db2.gz	PALWAAOWOVCING-UHFFFAOYSA-N	-1	0	493.770	6.350	40	0		JKABRM
O=C([O-])[C@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1	ZINC000001675874	553982573	/nfs/dbraw/zinc/98/25/73/553982573.db2.gz	PFXBHAMNGFNJBY-ZEQRLZLVSA-N	-1	0	450.332	5.060	40	0		JKABRM
CCCCCc1c2c(cc(O)c1C(=O)[O-])OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2	ZINC000002139624	554063550	/nfs/dbraw/zinc/06/35/50/554063550.db2.gz	JHEWMLHQNRHTQX-UHFFFAOYSA-N	-1	0	456.491	5.530	40	0	biogenic,in-vitro	JKABRM
CC(C)(C)Oc1cccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000002583483	554237847	/nfs/dbraw/zinc/23/78/47/554237847.db2.gz	BWKICYYOJGUIIO-RUZDIDTESA-N	-1	0	459.542	5.918	40	0		JKABRM
CCCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc21	ZINC000002685456	554282669	/nfs/dbraw/zinc/28/26/69/554282669.db2.gz	FWWIRPXDBMPADA-UHFFFAOYSA-N	-1	0	452.532	5.437	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746191	554324120	/nfs/dbraw/zinc/32/41/20/554324120.db2.gz	MRRWVMUPDVTIIM-HSZRJFAPSA-N	-1	0	478.335	6.140	40	0		JKABRM
CC1(C)Cc2oc3c(cc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc3Cl)c2C(=O)C1	ZINC000003237276	554435396	/nfs/dbraw/zinc/43/53/96/554435396.db2.gz	SMEUKMDRQGLWEF-UHFFFAOYSA-N	-1	0	472.777	6.349	40	0		JKABRM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1	ZINC000003267850	554439748	/nfs/dbraw/zinc/43/97/48/554439748.db2.gz	VBBUBAZWXVUQLB-UHFFFAOYSA-N	-1	0	462.575	5.416	40	0		JKABRM
CC1(C)O[C@@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000003845888	554471198	/nfs/dbraw/zinc/47/11/98/554471198.db2.gz	ZEUOHNFKJGAXCN-DNVFCKCGSA-N	-1	0	467.400	5.603	40	0		JKABRM
C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12	ZINC000003947454	554471582	/nfs/dbraw/zinc/47/15/82/554471582.db2.gz	WCGUUGGRBIKTOS-HINRGIHVSA-N	-1	0	456.711	7.090	40	0	in-man	JKABRM
O=C([O-])[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1	ZINC000005119207	554486989	/nfs/dbraw/zinc/48/69/89/554486989.db2.gz	AXGBGCZDGIBZPI-MHZLTWQESA-N	-1	0	497.616	6.091	40	0		JKABRM
CC(=O)[C@]1(C)CC[C@H]2[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]2(C)[C@@H]1CCC(=O)[O-]	ZINC000005742638	554493562	/nfs/dbraw/zinc/49/35/62/554493562.db2.gz	XPQHBSJTCFLKRX-LSBFSIDXSA-N	-1	0	458.727	7.912	40	0		JKABRM
CC(=O)[C@@]1(C)CC[C@H]2[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]2(C)[C@@H]1CCC(=O)[O-]	ZINC000005742639	554493600	/nfs/dbraw/zinc/49/36/00/554493600.db2.gz	XPQHBSJTCFLKRX-NJIUISFFSA-N	-1	0	458.727	7.912	40	0		JKABRM
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000006147163	554510764	/nfs/dbraw/zinc/51/07/64/554510764.db2.gz	GRBRSUQGXLIUCN-UHFFFAOYSA-N	-1	0	490.968	5.624	40	0		JKABRM
N#C[C@@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C(=O)[O-])c1ccc(Cl)cc1	ZINC000008768346	554668922	/nfs/dbraw/zinc/66/89/22/554668922.db2.gz	GIRXFFMXDZDBCR-OAQYLSRUSA-N	-1	0	462.983	7.186	40	0		JKABRM
N#C[C@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C(=O)[O-])c1ccc(Cl)cc1	ZINC000008768342	554668929	/nfs/dbraw/zinc/66/89/29/554668929.db2.gz	GIRXFFMXDZDBCR-NRFANRHFSA-N	-1	0	462.983	7.186	40	0		JKABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	ZINC000008810298	554690047	/nfs/dbraw/zinc/69/00/47/554690047.db2.gz	XGFODRJPAIVFIE-UHFFFAOYSA-N	-1	0	450.944	5.254	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1F)c1ccc(F)cc1	ZINC000008810853	554691545	/nfs/dbraw/zinc/69/15/45/554691545.db2.gz	LTJSQKPALULIJF-UHFFFAOYSA-N	-1	0	456.392	5.037	40	0		JKABRM
Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1C(=O)[O-]	ZINC000008833312	554730835	/nfs/dbraw/zinc/73/08/35/554730835.db2.gz	MGRNXTDJFASGFU-SOFGYWHQSA-N	-1	0	475.353	5.786	40	0		JKABRM
CN1c2ccc(S(=O)(=O)[N-]c3cc4c(oc5c4C(=O)CCC5)c4ccccc34)c3cccc(c23)C1=O	ZINC000008870452	554765553	/nfs/dbraw/zinc/76/55/53/554765553.db2.gz	GKEMRVJJPIUYDT-UHFFFAOYSA-N	-1	0	496.544	5.649	40	0		JKABRM
CCc1cccc2c(C(c3c[nH]c4c3cccc4CC)c3ccccc3OCC(=O)[O-])c[nH]c21	ZINC000009594172	555409959	/nfs/dbraw/zinc/40/99/59/555409959.db2.gz	WLSJTTLYBHINQN-UHFFFAOYSA-N	-1	0	452.554	6.418	40	0		JKABRM
O=C([O-])c1ccc(/C=N/c2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)cc1	ZINC000019855746	555513363	/nfs/dbraw/zinc/51/33/63/555513363.db2.gz	LMRKLBSCRVHHJJ-TURZUDJPSA-N	-1	0	470.550	5.531	40	0		JKABRM
CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1	ZINC000019933578	555550689	/nfs/dbraw/zinc/55/06/89/555550689.db2.gz	JXMYLRQTCNPFPY-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1	ZINC000013646824	555551090	/nfs/dbraw/zinc/55/10/90/555551090.db2.gz	CFZQODJTOPYYFO-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1C	ZINC000013646963	555551320	/nfs/dbraw/zinc/55/13/20/555551320.db2.gz	YXAANWJVXWQBCH-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccccc2F)ccc1Cl	ZINC000013647924	555552258	/nfs/dbraw/zinc/55/22/58/555552258.db2.gz	YHPGNXOGWSPPEA-UHFFFAOYSA-N	-1	0	493.025	5.252	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)c(Cl)c1Cl	ZINC000013668446	555557404	/nfs/dbraw/zinc/55/74/04/555557404.db2.gz	SMUXIIPCIVYWRZ-UHFFFAOYSA-N	-1	0	488.845	6.749	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)cc1C	ZINC000013669974	555560245	/nfs/dbraw/zinc/56/02/45/555560245.db2.gz	MEVMLMPSKALNES-IBGZPJMESA-N	-1	0	499.076	6.546	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000013670329	555561145	/nfs/dbraw/zinc/56/11/45/555561145.db2.gz	WCKFQWHQLHIAHG-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000013671213	555562894	/nfs/dbraw/zinc/56/28/94/555562894.db2.gz	FTIWQACEOHXURN-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000013671557	555563232	/nfs/dbraw/zinc/56/32/32/555563232.db2.gz	HMJFKZHYVULKSV-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl	ZINC000013672005	555563533	/nfs/dbraw/zinc/56/35/33/555563533.db2.gz	AWUFKZINBCKSGO-GOSISDBHSA-N	-1	0	485.049	6.238	40	0		JKABRM
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1	ZINC000013674141	555565510	/nfs/dbraw/zinc/56/55/10/555565510.db2.gz	WIYINJVJOAUHJU-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000013674324	555565778	/nfs/dbraw/zinc/56/57/78/555565778.db2.gz	DVMHFRLXIKXHGB-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013677133	555567999	/nfs/dbraw/zinc/56/79/99/555567999.db2.gz	PZWYHDCCXIWIQH-UHFFFAOYSA-N	-1	0	460.886	5.473	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	ZINC000009972808	555572982	/nfs/dbraw/zinc/57/29/82/555572982.db2.gz	UZFDMQNJILGOKH-ZWSXMNCCSA-N	-1	0	497.762	5.499	40	0		JKABRM
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1	ZINC000013681758	555575074	/nfs/dbraw/zinc/57/50/74/555575074.db2.gz	GCFDFXZIILXNBJ-HNNXBMFYSA-N	-1	0	463.386	5.426	40	0		JKABRM
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N(Cc1ccccc1)Cc1ccccc1	ZINC000013682551	555575950	/nfs/dbraw/zinc/57/59/50/555575950.db2.gz	CSYRMVUXDXLWIC-UHFFFAOYSA-N	-1	0	462.596	5.392	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2Cl)c1	ZINC000020045510	555616253	/nfs/dbraw/zinc/61/62/53/555616253.db2.gz	QSNJACMYMZVJBC-XMMPIXPASA-N	-1	0	485.049	6.275	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)cc1	ZINC000020045714	555616557	/nfs/dbraw/zinc/61/65/57/555616557.db2.gz	PFOYSCMSXOVGLL-UHFFFAOYSA-N	-1	0	462.398	6.323	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1N1CCCC1=O	ZINC000020046335	555616835	/nfs/dbraw/zinc/61/68/35/555616835.db2.gz	VHZNWWSYPSAHTP-UHFFFAOYSA-N	-1	0	472.950	5.069	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)cc1	ZINC000020049058	555618841	/nfs/dbraw/zinc/61/88/41/555618841.db2.gz	UNJIAVFDTJDREA-JOCHJYFZSA-N	-1	0	472.994	5.339	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c(C)c1	ZINC000010112011	555624247	/nfs/dbraw/zinc/62/42/47/555624247.db2.gz	GUYOEORHNODXCU-IBGZPJMESA-N	-1	0	499.076	6.546	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1C	ZINC000010112290	555625330	/nfs/dbraw/zinc/62/53/30/555625330.db2.gz	LUHBKNBWKZHVCB-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)c1C	ZINC000010112466	555625657	/nfs/dbraw/zinc/62/56/57/555625657.db2.gz	CRKZAGOXFRBHLD-INIZCTEOSA-N	-1	0	454.979	5.349	40	0		JKABRM
CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000020105017	555638083	/nfs/dbraw/zinc/63/80/83/555638083.db2.gz	RLCRPPWVBXJQRS-NRFANRHFSA-N	-1	0	488.993	5.254	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2Cl)cc1	ZINC000020105554	555639002	/nfs/dbraw/zinc/63/90/02/555639002.db2.gz	CYNKAJVODWDWLY-HSZRJFAPSA-N	-1	0	471.022	5.966	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)cc1	ZINC000020105555	555639433	/nfs/dbraw/zinc/63/94/33/555639433.db2.gz	CYNKAJVODWDWLY-QHCPKHFHSA-N	-1	0	471.022	5.966	40	0		JKABRM
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000013896716	555644023	/nfs/dbraw/zinc/64/40/23/555644023.db2.gz	MPASUKXWCKUCJH-UHFFFAOYSA-N	-1	0	454.857	5.412	40	0		JKABRM
Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)cc2)cc1	ZINC000020110493	555646512	/nfs/dbraw/zinc/64/65/12/555646512.db2.gz	QTUYJDXQSXHAGM-UHFFFAOYSA-N	-1	0	489.622	5.735	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1	ZINC000020139814	555662767	/nfs/dbraw/zinc/66/27/67/555662767.db2.gz	QEQKMOQAXUVYLV-UHFFFAOYSA-N	-1	0	450.672	5.322	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c(Cl)cc1Cl	ZINC000020152003	555669165	/nfs/dbraw/zinc/66/91/65/555669165.db2.gz	AKCLRXUPBOCEDY-UHFFFAOYSA-N	-1	0	482.570	5.234	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)(C)C)cc3)cc2)c1	ZINC000010314467	555680233	/nfs/dbraw/zinc/68/02/33/555680233.db2.gz	HGFADBRNPASHON-UHFFFAOYSA-N	-1	0	496.629	5.373	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)c1	ZINC000010336238	555691239	/nfs/dbraw/zinc/69/12/39/555691239.db2.gz	AUYFSGIMSKOPIM-UHFFFAOYSA-N	-1	0	482.602	5.199	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	ZINC000010358876	555696199	/nfs/dbraw/zinc/69/61/99/555696199.db2.gz	XVLXSSMJNPQQEL-UHFFFAOYSA-N	-1	0	480.630	5.673	40	0		JKABRM
Cc1cccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1	ZINC000014153466	555709394	/nfs/dbraw/zinc/70/93/94/555709394.db2.gz	VXFJOZNDNBXXQK-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2Cl)c(C)c1	ZINC000014153708	555709936	/nfs/dbraw/zinc/70/99/36/555709936.db2.gz	ZNBZKBPFMXWPFT-UHFFFAOYSA-N	-1	0	467.349	5.802	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)c1C	ZINC000014153727	555710089	/nfs/dbraw/zinc/71/00/89/555710089.db2.gz	SXNRQAQRLGOMMC-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)c1	ZINC000014153854	555710296	/nfs/dbraw/zinc/71/02/96/555710296.db2.gz	KZZGMZMDKMZSCV-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)c1	ZINC000014154178	555710940	/nfs/dbraw/zinc/71/09/40/555710940.db2.gz	LXDXYWWEGKCKJW-UHFFFAOYSA-N	-1	0	497.060	5.853	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)c(Cl)c2)cc1	ZINC000014154324	555711248	/nfs/dbraw/zinc/71/12/48/555711248.db2.gz	RPZPFGNUJORCDX-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)c1C	ZINC000014154322	555711303	/nfs/dbraw/zinc/71/13/03/555711303.db2.gz	QIKIZZOCKTXCJR-UHFFFAOYSA-N	-1	0	475.035	5.280	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)c1	ZINC000014154517	555711883	/nfs/dbraw/zinc/71/18/83/555711883.db2.gz	SGDNARPRTLJFTM-UHFFFAOYSA-N	-1	0	497.831	5.994	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2Cl)c1C	ZINC000014154648	555712137	/nfs/dbraw/zinc/71/21/37/555712137.db2.gz	UFDGIJWKVSMFFC-UHFFFAOYSA-N	-1	0	455.045	5.019	40	0		JKABRM
Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000014154742	555712214	/nfs/dbraw/zinc/71/22/14/555712214.db2.gz	FFGWHXVJTYRRRN-UHFFFAOYSA-N	-1	0	488.634	6.340	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)c1C	ZINC000014155009	555712773	/nfs/dbraw/zinc/71/27/73/555712773.db2.gz	AGGAEUAGIJYOGJ-UHFFFAOYSA-N	-1	0	497.060	5.853	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)c1	ZINC000014155245	555713009	/nfs/dbraw/zinc/71/30/09/555713009.db2.gz	CYVXRJFMBFVKNQ-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1Cl	ZINC000014155286	555713397	/nfs/dbraw/zinc/71/33/97/555713397.db2.gz	NARVXILBRKXISV-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000014155447	555713683	/nfs/dbraw/zinc/71/36/83/555713683.db2.gz	MQJMOLYERWINMR-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)c(C)c1	ZINC000014155868	555714600	/nfs/dbraw/zinc/71/46/00/555714600.db2.gz	KSPFRRPZCRBDBH-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSCc2ccccc2)ccc1Cl	ZINC000014155807	555714717	/nfs/dbraw/zinc/71/47/17/555714717.db2.gz	YPRXRFKYPLFJBB-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000020247755	555742484	/nfs/dbraw/zinc/74/24/84/555742484.db2.gz	MMZMYIAWUNJZCA-HXUWFJFHSA-N	-1	0	481.346	5.520	40	0		JKABRM
O=C([O-])c1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	ZINC000014269739	555760088	/nfs/dbraw/zinc/76/00/88/555760088.db2.gz	AMRUPCIQLUOKPC-CSKARUKUSA-N	-1	0	461.326	5.478	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1	ZINC000014270134	555761225	/nfs/dbraw/zinc/76/12/25/555761225.db2.gz	OAVNMHQMLIDOJZ-SOFGYWHQSA-N	-1	0	461.326	5.478	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1Cl	ZINC000014274035	555775616	/nfs/dbraw/zinc/77/56/16/555775616.db2.gz	JHFZZSUPNJWIPR-UHFFFAOYSA-N	-1	0	479.739	5.188	40	0		JKABRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000014274517	555777073	/nfs/dbraw/zinc/77/70/73/555777073.db2.gz	ROYWOPROBILHEY-CSKARUKUSA-N	-1	0	475.353	5.786	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Cl	ZINC000014274523	555777093	/nfs/dbraw/zinc/77/70/93/555777093.db2.gz	NNFOPHIVRHGUHW-RMKNXTFCSA-N	-1	0	495.771	6.131	40	0		JKABRM
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1	ZINC000014274848	555778121	/nfs/dbraw/zinc/77/81/21/555778121.db2.gz	DFIJDOINOSHOTR-UHFFFAOYSA-N	-1	0	493.766	5.089	40	0		JKABRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000014275004	555778914	/nfs/dbraw/zinc/77/89/14/555778914.db2.gz	UIAGEPMPEKUDSV-FNORWQNLSA-N	-1	0	475.353	5.786	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1	ZINC000014398172	555803842	/nfs/dbraw/zinc/80/38/42/555803842.db2.gz	UYHMRTWCUHKJFV-UHFFFAOYSA-N	-1	0	488.993	5.256	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000014399889	555805204	/nfs/dbraw/zinc/80/52/04/555805204.db2.gz	OVGAHJROLIXPRR-IBGZPJMESA-N	-1	0	496.629	5.508	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C	ZINC000020550662	555807282	/nfs/dbraw/zinc/80/72/82/555807282.db2.gz	VUCXSJQWKDYYHQ-KSHPCTPQSA-N	-1	0	494.672	6.551	40	0		JKABRM
CC(C)(C)c1cc([C@@H](c2cccs2)c2c([O-])c3ccccc3oc2=O)cc(C(C)(C)C)c1O	ZINC000012042784	555895081	/nfs/dbraw/zinc/89/50/81/555895081.db2.gz	NICPQASWEBEHTE-QFIPXVFZSA-N	-1	0	462.611	7.041	40	0		JKABRM
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)c([O-])c(Cl)c3)o2)cc1Cl	ZINC000022738949	555948414	/nfs/dbraw/zinc/94/84/14/555948414.db2.gz	IIUIRSZJLOWWPT-FNORWQNLSA-N	-1	0	481.788	6.447	40	0		JKABRM
O=C([O-])c1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)sc2c1	ZINC000012376069	555963173	/nfs/dbraw/zinc/96/31/73/555963173.db2.gz	KLLLNIHQZZISQE-UNOMPAQXSA-N	-1	0	459.914	5.482	40	0		JKABRM
C[C@@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)C1=C([O-])c1ccccc1	ZINC000012383383	555971617	/nfs/dbraw/zinc/97/16/17/555971617.db2.gz	FHUXCSWUJDKAFP-YDFBLROQSA-N	-1	0	463.327	5.470	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000012656784	556099410	/nfs/dbraw/zinc/09/94/10/556099410.db2.gz	JKLISIRFYWXLQG-YUOZJKDKSA-N	-1	0	458.727	7.314	40	0	biogenic	JKABRM
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]13	ZINC000012659587	556100425	/nfs/dbraw/zinc/10/04/25/556100425.db2.gz	FYZFYVOGEUZQNZ-RBSGYFCJSA-N	-1	0	491.628	5.407	40	0		JKABRM
C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000012868996	556120968	/nfs/dbraw/zinc/12/09/68/556120968.db2.gz	WCGUUGGRBIKTOS-AHWPIGJASA-N	-1	0	456.711	7.090	40	0	biogenic	JKABRM
Cc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Br)cc2)nc(-c2ccccc2[O-])n1	ZINC000016283986	556132837	/nfs/dbraw/zinc/13/28/37/556132837.db2.gz	FDRHNEZWUVLVBJ-HSZRJFAPSA-N	-1	0	485.385	6.276	40	0		JKABRM
CCCCCCOc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])cc1	ZINC000016638265	556148975	/nfs/dbraw/zinc/14/89/75/556148975.db2.gz	HQPGZLYHCJQVMQ-UHFFFAOYSA-N	-1	0	469.390	5.778	40	0		JKABRM
O=C([O-])[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000016931441	556180939	/nfs/dbraw/zinc/18/09/39/556180939.db2.gz	BSFWVEBVKWTPOI-SANMLTNESA-N	-1	0	493.584	5.461	40	0		JKABRM
Cc1cccc(C)c1NC(=O)C([O-])=C(c1ccccc1Cl)S(=O)(=O)Cc1ccccc1Cl	ZINC000017221943	556242821	/nfs/dbraw/zinc/24/28/21/556242821.db2.gz	MFERXJLGXFFSND-QHCPKHFHSA-N	-1	0	490.408	5.474	40	0		JKABRM
CC(=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000026472270	556255220	/nfs/dbraw/zinc/25/52/20/556255220.db2.gz	RVMPLOSJMIQORE-FUAAEJBOSA-N	-1	0	458.683	6.102	40	0	biogenic,in-vitro	JKABRM
COc1ccc(S(=O)(=O)c2c([O-])c(C)cc(NC(=O)c3ccc(Cl)cc3)c2C(C)C)cc1	ZINC000026786973	556263261	/nfs/dbraw/zinc/26/32/61/556263261.db2.gz	HJJNWMVRHMVCIL-UHFFFAOYSA-N	-1	0	473.978	5.571	40	0		JKABRM
CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(SCc4ccc(C(=O)[O-])cc4)c32)C1	ZINC000013065339	556264045	/nfs/dbraw/zinc/26/40/45/556264045.db2.gz	LDDSGLFBJYMYOT-KRWDZBQOSA-N	-1	0	452.645	6.710	40	0		JKABRM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl	ZINC000028462574	556333844	/nfs/dbraw/zinc/33/38/44/556333844.db2.gz	TYDAPUFKLCFZQU-UHFFFAOYSA-N	-1	0	466.346	5.447	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000028524747	556334588	/nfs/dbraw/zinc/33/45/88/556334588.db2.gz	FMIMFCRXYXVFTA-IKVQYROWSA-N	-1	0	454.695	7.442	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1	ZINC000030751315	556371277	/nfs/dbraw/zinc/37/12/77/556371277.db2.gz	PYLTWWCVNHCGQK-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(OC)cc1	ZINC000030848652	556376609	/nfs/dbraw/zinc/37/66/09/556376609.db2.gz	LXIJEXDNHZQWGZ-NRFANRHFSA-N	-1	0	472.994	5.339	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(OC)cc1	ZINC000030852747	556378262	/nfs/dbraw/zinc/37/82/62/556378262.db2.gz	CWNCDOCDVOKNJH-QFIPXVFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)n1	ZINC000030863362	556382612	/nfs/dbraw/zinc/38/26/12/556382612.db2.gz	PMGUAZZRLFGMES-UHFFFAOYSA-N	-1	0	490.610	5.130	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000031351476	556396117	/nfs/dbraw/zinc/39/61/17/556396117.db2.gz	FABOBEOYNMHSHB-UAWZMHPWSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116402	556423216	/nfs/dbraw/zinc/42/32/16/556423216.db2.gz	FAKVMAMAMGACDF-DUXPYHPUSA-N	-1	0	465.956	5.876	40	0		JKABRM
O=C(COc1ccc2ccccc2c1)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116406	556423281	/nfs/dbraw/zinc/42/32/81/556423281.db2.gz	WKLKLFJVMBBMNQ-UHFFFAOYSA-N	-1	0	451.114	5.088	40	0		JKABRM
O=C(CSc1ccc(Cl)cc1)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116392	556423341	/nfs/dbraw/zinc/42/33/41/556423341.db2.gz	ZJULQTYXUHEHBO-UHFFFAOYSA-N	-1	0	451.567	5.301	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc(Br)ccc1Cl	ZINC000032116421	556423640	/nfs/dbraw/zinc/42/36/40/556423640.db2.gz	WIDWUNYPEVMNFR-UHFFFAOYSA-N	-1	0	484.369	5.585	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116433	556423666	/nfs/dbraw/zinc/42/36/66/556423666.db2.gz	YCPPWHTVHGKIEH-UHFFFAOYSA-N	-1	0	465.347	6.513	40	0		JKABRM
COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116505	556423806	/nfs/dbraw/zinc/42/38/06/556423806.db2.gz	DVNWCEFHEQZOAK-UHFFFAOYSA-N	-1	0	469.944	5.485	40	0		JKABRM
O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116496	556423938	/nfs/dbraw/zinc/42/39/38/556423938.db2.gz	PJHQRIJCETZENM-IZZDOVSWSA-N	-1	0	494.370	5.489	40	0		JKABRM
CC(C)(C)c1ccc(OCC(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1	ZINC000032116564	556424238	/nfs/dbraw/zinc/42/42/38/556424238.db2.gz	VMCQPLZPSJODGL-UHFFFAOYSA-N	-1	0	457.162	5.232	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(Cl)cc1Cl	ZINC000032116738	556425017	/nfs/dbraw/zinc/42/50/17/556425017.db2.gz	AFIQRJNATIKECY-UHFFFAOYSA-N	-1	0	478.129	6.522	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccc(Cl)c1Cl	ZINC000032116781	556425124	/nfs/dbraw/zinc/42/51/24/556425124.db2.gz	GODBOOYSMVICNC-UHFFFAOYSA-N	-1	0	478.129	6.522	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2ccc(Br)cc2)o1	ZINC000032118595	556425697	/nfs/dbraw/zinc/42/56/97/556425697.db2.gz	BIEARPTWZWPMMR-UHFFFAOYSA-N	-1	0	486.174	5.848	40	0		JKABRM
CC(=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000253500929	560038960	/nfs/dbraw/zinc/03/89/60/560038960.db2.gz	RVMPLOSJMIQORE-ISZXNJLNSA-N	-1	0	458.683	6.102	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C	ZINC000252515734	560040914	/nfs/dbraw/zinc/04/09/14/560040914.db2.gz	NBGQZFQREPIKMG-FEUDIDBOSA-N	-1	0	456.711	7.090	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000067910659	560049611	/nfs/dbraw/zinc/04/96/11/560049611.db2.gz	JPGOJQJBPLCRQP-OLPSMHGOSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC4(CC(=O)[O-])CCCC4)C=C3C)nc2c1	ZINC000072320924	560077079	/nfs/dbraw/zinc/07/70/79/560077079.db2.gz	VCOFKSZHPGCOLH-VABKMULXSA-N	-1	0	479.665	5.810	40	0	biogenic,in-vitro	JKABRM
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC4(CC(=O)[O-])CCCC4)C=C3C)nc21	ZINC000072321020	560077836	/nfs/dbraw/zinc/07/78/36/560077836.db2.gz	DRHJUAFANPMVHU-VABKMULXSA-N	-1	0	479.665	5.810	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O	ZINC000043552895	560085600	/nfs/dbraw/zinc/08/56/00/560085600.db2.gz	OXVUXGFZHDKYLS-MQIWQSRXSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1	ZINC000008624111	560210019	/nfs/dbraw/zinc/21/00/19/560210019.db2.gz	ICFXXNSEAAUCBX-TZIWHRDSSA-N	-1	0	451.611	5.206	40	0	biogenic,in-vitro	JKABRM
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc(-c2n[n-]c(=S)n2-c2ccccc2)cc1	ZINC000008652881	569592567	/nfs/dbraw/zinc/59/25/67/569592567.db2.gz	RYLUARFLLMFJAD-UHFFFAOYSA-N	-1	0	490.386	5.367	40	0		JKABRM
CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000059599809	569607191	/nfs/dbraw/zinc/60/71/91/569607191.db2.gz	KIWDYCPPZOBFCA-MSBDOUPJSA-N	-1	0	483.889	5.440	40	0		JKABRM
CC(C)[C@@H](NC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000062715280	569614283	/nfs/dbraw/zinc/61/42/83/569614283.db2.gz	HCFZMLLFGDQIPE-IYJBSMEOSA-N	-1	0	488.422	5.564	40	0		JKABRM
COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1OCc1ccc(C(C)(C)C)cc1	ZINC000062715798	569614403	/nfs/dbraw/zinc/61/44/03/569614403.db2.gz	WQZDVEYPNCFBCD-RFDVBBEPSA-N	-1	0	487.596	5.397	40	0		JKABRM
Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)Nc2nc(CC(=O)[O-])cs2)cc1	ZINC000062715911	569614535	/nfs/dbraw/zinc/61/45/35/569614535.db2.gz	VHWUSTOPZGYOML-RMKNXTFCSA-N	-1	0	487.375	5.072	40	0		JKABRM
Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000062715905	569614567	/nfs/dbraw/zinc/61/45/67/569614567.db2.gz	FYLDOMZDIPJLFK-RBNVVWFDSA-N	-1	0	494.385	5.162	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1O[C@@H](C)CC	ZINC000033385178	569625492	/nfs/dbraw/zinc/62/54/92/569625492.db2.gz	ZECJWIJBYWLHCJ-WFSQQTBHSA-N	-1	0	491.338	5.120	40	0		JKABRM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000033392548	569625625	/nfs/dbraw/zinc/62/56/25/569625625.db2.gz	CZJIVAPHJRBWEU-SFQUDFHCSA-N	-1	0	494.862	5.214	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)[N-]C2=S)cc1	ZINC000033535577	569627491	/nfs/dbraw/zinc/62/74/91/569627491.db2.gz	SHZLGTXVVIBCFG-CPNJWEJPSA-N	-1	0	498.435	6.635	40	0		JKABRM
CCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	ZINC000033575531	569628180	/nfs/dbraw/zinc/62/81/80/569628180.db2.gz	BFBHCMCOFJIOFJ-UNOMPAQXSA-N	-1	0	489.399	7.076	40	0		JKABRM
Cc1ccc(C(=O)Oc2ccccc2C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000033615218	569628896	/nfs/dbraw/zinc/62/88/96/569628896.db2.gz	UQVKBWXWBRHUSE-ZHZULCJRSA-N	-1	0	460.873	5.374	40	0		JKABRM
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(C)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)[O-])CCCC2	ZINC000033644169	569629437	/nfs/dbraw/zinc/62/94/37/569629437.db2.gz	POJIBYWAWAXZKN-BKUYFWCQSA-N	-1	0	489.597	5.134	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2Cl)c(C)c1	ZINC000033663651	569630236	/nfs/dbraw/zinc/63/02/36/569630236.db2.gz	PBLOMIFUBCCLFV-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccccc3Cl)C(=O)[N-]C2=S)cc1	ZINC000033680971	569630731	/nfs/dbraw/zinc/63/07/31/569630731.db2.gz	PADAURBVBMSPGW-RCCKNPSSSA-N	-1	0	476.985	6.153	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC	ZINC000033728908	569632271	/nfs/dbraw/zinc/63/22/71/569632271.db2.gz	XHVKZQUUOYCVBI-QGOAFFKASA-N	-1	0	487.350	5.533	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c1	ZINC000033735437	569632763	/nfs/dbraw/zinc/63/27/63/569632763.db2.gz	WAUMUMMNDYTIPL-UHFFFAOYSA-N	-1	0	464.974	6.163	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	ZINC000033737835	569632897	/nfs/dbraw/zinc/63/28/97/569632897.db2.gz	DKDOHTFCBNHWOZ-PGMHBOJBSA-N	-1	0	494.544	5.338	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000033739771	569632974	/nfs/dbraw/zinc/63/29/74/569632974.db2.gz	JVRAZCGSDNIOIW-BFERYNQYSA-N	-1	0	472.994	5.814	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000033759600	569633820	/nfs/dbraw/zinc/63/38/20/569633820.db2.gz	RLWSMWLJIBXVKE-YBFXNURJSA-N	-1	0	499.292	5.263	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1	ZINC000033775619	569634277	/nfs/dbraw/zinc/63/42/77/569634277.db2.gz	YRJICYQDJVHAAN-OOAXWGSJSA-N	-1	0	498.579	6.731	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)cc1	ZINC000033785094	569634977	/nfs/dbraw/zinc/63/49/77/569634977.db2.gz	JDWABLXVQVJDHU-UHFFFAOYSA-N	-1	0	479.783	5.464	40	0		JKABRM
CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000033788881	569635116	/nfs/dbraw/zinc/63/51/16/569635116.db2.gz	OPTLRXLSANMUTK-XWAFYUISSA-N	-1	0	488.993	5.596	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccccc4C(C)C)c3C)C(=O)[N-]C2=S)cc1	ZINC000034689564	569645560	/nfs/dbraw/zinc/64/55/60/569645560.db2.gz	ZFHTZXYAODPWNP-LFVJCYFKSA-N	-1	0	471.626	6.452	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccccc1	ZINC000034703242	569649323	/nfs/dbraw/zinc/64/93/23/569649323.db2.gz	LTWBZEGWKPRRMD-HYARGMPZSA-N	-1	0	472.497	5.098	40	0		JKABRM
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000034743775	569655502	/nfs/dbraw/zinc/65/55/02/569655502.db2.gz	ASZCWLMGCQJXRB-CIAFOILYSA-N	-1	0	450.491	5.168	40	0		JKABRM
CCCCCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000034794744	569660803	/nfs/dbraw/zinc/66/08/03/569660803.db2.gz	MNPIUSJWQICRSQ-CPNJWEJPSA-N	-1	0	461.345	6.459	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1cccc(F)c1	ZINC000034799816	569661051	/nfs/dbraw/zinc/66/10/51/569661051.db2.gz	AKJMWZIXDZBJHK-LPYMAVHISA-N	-1	0	490.487	5.237	40	0		JKABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)c3ccccc32)o1	ZINC000035044107	569673848	/nfs/dbraw/zinc/67/38/48/569673848.db2.gz	UKXAJQIJKNHBEY-JJFYIABZSA-N	-1	0	492.940	5.871	40	0		JKABRM
Cc1noc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl	ZINC000065731652	569676404	/nfs/dbraw/zinc/67/64/04/569676404.db2.gz	WWQTWEWAPUCDDZ-QGZVFWFLSA-N	-1	0	490.943	6.907	40	0	in-vitro	JKABRM
Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000035168310	569677228	/nfs/dbraw/zinc/67/72/28/569677228.db2.gz	ZCOYSTJMETYHAZ-BUVRLJJBSA-N	-1	0	466.493	5.823	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	ZINC000035352399	569681830	/nfs/dbraw/zinc/68/18/30/569681830.db2.gz	HYJLRQYEKBCUPE-LDADJPATSA-N	-1	0	456.926	5.733	40	0		JKABRM
CC/C(=C\C=C\[C@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C	ZINC000070708147	569695943	/nfs/dbraw/zinc/69/59/43/569695943.db2.gz	XINFXFISYDXMAU-GWHWMWFPSA-N	-1	0	479.661	6.603	40	0	biogenic	JKABRM
O=C(N/C=C\c1cc(Cl)cc(Cl)c1)[C@H](c1csc2ccc(Cl)cc21)[P@](=O)([O-])O	ZINC000071602552	569697174	/nfs/dbraw/zinc/69/71/74/569697174.db2.gz	AAWWTPVQFZNTEM-LIMHQNJXSA-N	-1	0	476.705	5.867	40	0		JKABRM
CC(C)(C)OC(=O)N[C@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000071788055	569698312	/nfs/dbraw/zinc/69/83/12/569698312.db2.gz	YBAYCOKLWMVUSV-XMMPIXPASA-N	-1	0	477.626	6.080	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@H]2[C@@H]1C	ZINC000076945336	569704739	/nfs/dbraw/zinc/70/47/39/569704739.db2.gz	JXSVIVRDWWRQRT-YKPZRQRASA-N	-1	0	488.709	5.033	40	0	in-vitro	JKABRM
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000035629888	569705728	/nfs/dbraw/zinc/70/57/28/569705728.db2.gz	CGPPZFQDBBUTIE-MHECFPHRSA-N	-1	0	494.588	5.016	40	0		JKABRM
CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000035629894	569705780	/nfs/dbraw/zinc/70/57/80/569705780.db2.gz	CGPPZFQDBBUTIE-KOSHJBKYSA-N	-1	0	494.588	5.016	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@@H]4[C@H](C)[C@@H](C)CC[C@@]4(C)CC[C@]23C)[C@]1(C)C(=O)[O-]	ZINC000085978345	569716851	/nfs/dbraw/zinc/71/68/51/569716851.db2.gz	YJBVHJIKNLBFDX-HDFSBWCDSA-N	-1	0	498.748	7.660	40	0	in-man	JKABRM
Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])sc3c2CCCCC3)c1	ZINC000035897628	569723210	/nfs/dbraw/zinc/72/32/10/569723210.db2.gz	QAXFTQRBJCFMKX-ALGWMNEGSA-N	-1	0	464.587	5.039	40	0		JKABRM
Cc1sc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c(C(=O)NCc2ccco2)c1-c1ccccc1	ZINC000035897885	569723320	/nfs/dbraw/zinc/72/33/20/569723320.db2.gz	RFJLOACBINKFCY-OSZJIOELSA-N	-1	0	490.581	5.098	40	0		JKABRM
COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1	ZINC000095532165	569725451	/nfs/dbraw/zinc/72/54/51/569725451.db2.gz	FYYVMZFNLAXQMQ-QFIPXVFZSA-N	-1	0	465.937	5.138	40	0		JKABRM
CCOc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1	ZINC000095532183	569725475	/nfs/dbraw/zinc/72/54/75/569725475.db2.gz	PSUVBVXXSOEMJW-QFIPXVFZSA-N	-1	0	465.937	5.138	40	0		JKABRM
COc1ccc2cc([C@@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1	ZINC000095532163	569725508	/nfs/dbraw/zinc/72/55/08/569725508.db2.gz	KXBUVOGITOTHLJ-NRFANRHFSA-N	-1	0	486.355	5.483	40	0		JKABRM
O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1OC(F)(F)F	ZINC000095748945	569728707	/nfs/dbraw/zinc/72/87/07/569728707.db2.gz	PRXOWODXWIBSPY-NRFANRHFSA-N	-1	0	457.404	5.250	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)[O-]	ZINC000035958433	569736287	/nfs/dbraw/zinc/73/62/87/569736287.db2.gz	ILBSJMXROGDXKN-ZKQHCESOSA-N	-1	0	453.347	5.082	40	0		JKABRM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)[O-]	ZINC000098091612	569750742	/nfs/dbraw/zinc/75/07/42/569750742.db2.gz	WTLSDEYZKFJXFT-AREMUKBSSA-N	-1	0	473.569	5.741	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000101706176	569803035	/nfs/dbraw/zinc/80/30/35/569803035.db2.gz	MDZKJHQSJHYOHJ-NOSHSGDVSA-N	-1	0	472.710	6.204	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(OC)cc1	ZINC000038755305	569806994	/nfs/dbraw/zinc/80/69/94/569806994.db2.gz	CUQNOOQMFUKGHQ-QFIPXVFZSA-N	-1	0	472.994	5.339	40	0		JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000038755374	569807039	/nfs/dbraw/zinc/80/70/39/569807039.db2.gz	CSTDDERMGUVSMH-GOSISDBHSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC1(C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1	ZINC000038925986	569809149	/nfs/dbraw/zinc/80/91/49/569809149.db2.gz	MIJYXULNPSFWEK-GPFRYGGMSA-N	-1	0	456.711	7.234	40	0		JKABRM
CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000039866628	569812199	/nfs/dbraw/zinc/81/21/99/569812199.db2.gz	VHJMPRUKTLUUSY-UHCYRAGWSA-N	-1	0	497.370	6.031	40	0		JKABRM
CCOC(=O)[C@](/C=C1/N(C)c2ccccc2C1(C)C)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F	ZINC000102465308	569813361	/nfs/dbraw/zinc/81/33/61/569813361.db2.gz	GVQAYUHRLJSDPN-YMBKFGRISA-N	-1	0	499.533	5.149	40	0		JKABRM
Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000102728036	569817945	/nfs/dbraw/zinc/81/79/45/569817945.db2.gz	UQKHXXIFTXJVDW-BHIFYINESA-N	-1	0	453.325	5.353	40	0		JKABRM
CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102735740	569818728	/nfs/dbraw/zinc/81/87/28/569818728.db2.gz	ILOGOOOAUQKWMJ-XPWALMASSA-N	-1	0	477.358	5.063	40	0		JKABRM
Cc1nc(Nc2ccccc2)sc1C(=O)C=C(O)C(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000102942218	569829626	/nfs/dbraw/zinc/82/96/26/569829626.db2.gz	KYAWNUYEAQSZHJ-UHFFFAOYSA-N	-1	0	463.603	6.223	40	0		JKABRM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)cc1C	ZINC000103013145	569831731	/nfs/dbraw/zinc/83/17/31/569831731.db2.gz	RFGJFIQFIVPWEU-LEAFIULHSA-N	-1	0	477.516	5.375	40	0		JKABRM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)cc1C	ZINC000103013140	569831747	/nfs/dbraw/zinc/83/17/47/569831747.db2.gz	RFGJFIQFIVPWEU-NAKRPHOHSA-N	-1	0	477.516	5.375	40	0		JKABRM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)cc1	ZINC000103014498	569831756	/nfs/dbraw/zinc/83/17/56/569831756.db2.gz	QTEXSGJHQLZBJL-LBNVMWSVSA-N	-1	0	493.515	5.157	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CCC(=O)[O-])ccc2OC)nn1Cc1ccccc1	ZINC000103298781	569834482	/nfs/dbraw/zinc/83/44/82/569834482.db2.gz	HKUZKZNPBZUAMI-UHFFFAOYSA-N	-1	0	456.542	5.690	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(Cc2ccccc2)n1	ZINC000103298768	569834487	/nfs/dbraw/zinc/83/44/87/569834487.db2.gz	FBEIFLBYFFFIPN-UHFFFAOYSA-N	-1	0	486.568	5.699	40	0		JKABRM
CCOc1ccc(CCC(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(CCc2ccccc2)n1	ZINC000103298829	569834498	/nfs/dbraw/zinc/83/44/98/569834498.db2.gz	NQPUDTNUBHNBBQ-UHFFFAOYSA-N	-1	0	458.533	6.015	40	0		JKABRM
Cc1oc2cc3oc(=O)c(CC(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)c(C)c3cc2c1-c1ccccc1	ZINC000103658524	569836899	/nfs/dbraw/zinc/83/68/99/569836899.db2.gz	SRPFLAWELYPLTR-PUZFROQSSA-N	-1	0	487.552	5.373	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2O)C(=O)[C@H]13	ZINC000105366248	569852895	/nfs/dbraw/zinc/85/28/95/569852895.db2.gz	QHSKZVKGIKBLPT-OSGQGAKPSA-N	-1	0	491.628	5.407	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2O)C(=O)[C@H]13	ZINC000105366253	569852904	/nfs/dbraw/zinc/85/29/04/569852904.db2.gz	QHSKZVKGIKBLPT-MHHFXTAFSA-N	-1	0	491.628	5.407	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1	ZINC000106717840	569854988	/nfs/dbraw/zinc/85/49/88/569854988.db2.gz	CGYXHFCVMFODED-JMIUGGIZSA-N	-1	0	488.348	6.497	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)cc1Cl	ZINC000106734087	569855286	/nfs/dbraw/zinc/85/52/86/569855286.db2.gz	RTHWOYLKLMXZLW-OCKHKDLRSA-N	-1	0	492.311	6.327	40	0		JKABRM
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1	ZINC000107613272	569856731	/nfs/dbraw/zinc/85/67/31/569856731.db2.gz	QALFNVAQQBSCDG-UHFFFAOYSA-N	-1	0	495.384	5.210	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl	ZINC000108927734	569859875	/nfs/dbraw/zinc/85/98/75/569859875.db2.gz	KKOOQNQEDNVJMK-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	ZINC000108990107	569860189	/nfs/dbraw/zinc/86/01/89/569860189.db2.gz	PDWHIZVANJQCBJ-UHFFFAOYSA-N	-1	0	465.358	5.120	40	0		JKABRM
O=C([O-])CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000117486813	569862853	/nfs/dbraw/zinc/86/28/53/569862853.db2.gz	XTBXSCIWOVSSGB-UHFFFAOYSA-N	-1	0	478.098	5.471	40	0		JKABRM
Cc1noc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)c1NC(=O)O[C@@H](C)c1ccccc1	ZINC000118553578	569862842	/nfs/dbraw/zinc/86/28/42/569862842.db2.gz	LNDDRUPAICPXIN-SFHVURJKSA-N	-1	0	456.498	6.254	40	0		JKABRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C	ZINC000118915909	569863125	/nfs/dbraw/zinc/86/31/25/569863125.db2.gz	VUCXSJQWKDYYHQ-CXRORIAYSA-N	-1	0	494.672	6.551	40	0		JKABRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118916573	569863170	/nfs/dbraw/zinc/86/31/70/569863170.db2.gz	WLNARFZDISHUGS-WFPXCOHCSA-N	-1	0	486.737	7.804	40	0		JKABRM
CC(C)=C1[C@@H]2CC[C@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)Nc1sc(C)c(-c2ccc(C(C)C)cc2)c1C(N)=O	ZINC000169300808	569868175	/nfs/dbraw/zinc/86/81/75/569868175.db2.gz	IIMCIONEANYPFY-XHIHJMKYSA-N	-1	0	480.630	5.578	40	0		JKABRM
CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(NC(=O)/C=C(\C)C(=O)[O-])cc3)ccc21	ZINC000211511892	569876134	/nfs/dbraw/zinc/87/61/34/569876134.db2.gz	FFGSTXAKDYNXSM-SAPNQHFASA-N	-1	0	487.581	5.515	40	0		JKABRM
COc1ccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccccc2)cc1	ZINC000215819567	569877741	/nfs/dbraw/zinc/87/77/41/569877741.db2.gz	ARHWGSFXCPSCNN-NLRVBDNBSA-N	-1	0	485.565	5.070	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)c1	ZINC000216300108	569878168	/nfs/dbraw/zinc/87/81/68/569878168.db2.gz	SIJFLZCPSNDHHS-MRXNPFEDSA-N	-1	0	460.958	5.388	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)c(C)c1	ZINC000216298567	569878183	/nfs/dbraw/zinc/87/81/83/569878183.db2.gz	GDTIQZHTRZXPEB-DEOSSOPVSA-N	-1	0	485.049	6.275	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(C)cc1	ZINC000216305399	569878259	/nfs/dbraw/zinc/87/82/59/569878259.db2.gz	PXFGQLCOTUGQPN-QHCPKHFHSA-N	-1	0	471.022	5.947	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC(C)C)cc2)ccc1Cl	ZINC000216372722	569878533	/nfs/dbraw/zinc/87/85/33/569878533.db2.gz	WCMVXTDGJYVCFB-UHFFFAOYSA-N	-1	0	472.994	5.166	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccccc1	ZINC000216403306	569878695	/nfs/dbraw/zinc/87/86/95/569878695.db2.gz	RXADMUVWDCKBLU-NRFANRHFSA-N	-1	0	456.995	5.639	40	0		JKABRM
O=C([O-])C[C@@]12C[C@H]3C[C@@H](C1)C[C@](n1ncc(Nc4cccc5ccccc54)c(Cl)c1=O)(C3)C2	ZINC000217485920	569880093	/nfs/dbraw/zinc/88/00/93/569880093.db2.gz	ZWTRZPPDCDUROL-HFCBSXIXSA-N	-1	0	463.965	5.564	40	0		JKABRM
O=C([O-])c1cc(Br)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1	ZINC000217737112	569881285	/nfs/dbraw/zinc/88/12/85/569881285.db2.gz	PSMDFPDEDHJUDN-UHFFFAOYSA-N	-1	0	497.954	5.234	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)N21	ZINC000222715673	569889412	/nfs/dbraw/zinc/88/94/12/569889412.db2.gz	QDKADQGGDWOSRE-PUCZYUMASA-N	-1	0	453.951	5.673	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3OCc3ccc(C(=O)[O-])cc3)N21	ZINC000222716840	569889443	/nfs/dbraw/zinc/88/94/43/569889443.db2.gz	BAAYCKPHQVCBPA-CTUHWIOQSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3ccccc3c2)ccc1Cl	ZINC000222771332	569890704	/nfs/dbraw/zinc/89/07/04/569890704.db2.gz	QAWCCJRKTGKXGO-UHFFFAOYSA-N	-1	0	464.974	5.532	40	0		JKABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000222848240	569892589	/nfs/dbraw/zinc/89/25/89/569892589.db2.gz	WEIWJXJNTKBIAH-UHFFFAOYSA-N	-1	0	472.994	5.699	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c(C)c1	ZINC000222934663	569894764	/nfs/dbraw/zinc/89/47/64/569894764.db2.gz	OAGHNQJBOAUGNZ-IBGZPJMESA-N	-1	0	497.060	6.127	40	0		JKABRM
CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222941002	569895034	/nfs/dbraw/zinc/89/50/34/569895034.db2.gz	RKZWFRPJJYMQTE-RTWAWAEBSA-N	-1	0	455.967	5.322	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(OC)c(C)c1	ZINC000223015702	569896916	/nfs/dbraw/zinc/89/69/16/569896916.db2.gz	YNZMBLOCICVVHU-JOCHJYFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc2c(c1)CCCC2	ZINC000223056842	569898040	/nfs/dbraw/zinc/89/80/40/569898040.db2.gz	AHWYWYDJUXQVAT-DEOSSOPVSA-N	-1	0	497.060	6.209	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223117888	569899922	/nfs/dbraw/zinc/89/99/22/569899922.db2.gz	OPHOPNXWBOJXDZ-DNQXCXABSA-N	-1	0	461.587	5.653	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1	ZINC000223118531	569899951	/nfs/dbraw/zinc/89/99/51/569899951.db2.gz	UUEBXGGGCRNQHF-XZOQPEGZSA-N	-1	0	482.005	5.998	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)cc1	ZINC000223183271	569902512	/nfs/dbraw/zinc/90/25/12/569902512.db2.gz	KSMABZKSHDOTQK-QGZVFWFLSA-N	-1	0	469.006	5.429	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)s1)c1ccc(Cl)cc1	ZINC000223220862	569903945	/nfs/dbraw/zinc/90/39/45/569903945.db2.gz	SNUWQEMMAHESGR-UHFFFAOYSA-N	-1	0	486.962	5.037	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2Cl)cc1	ZINC000223428231	569911050	/nfs/dbraw/zinc/91/10/50/569911050.db2.gz	TUBMGPGWMBXXPT-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1C	ZINC000223428438	569911058	/nfs/dbraw/zinc/91/10/58/569911058.db2.gz	KKGINFAGWRYZLU-HXUWFJFHSA-N	-1	0	485.049	6.174	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c1	ZINC000223428713	569911077	/nfs/dbraw/zinc/91/10/77/569911077.db2.gz	WLLBVWVHCHDEBA-HXUWFJFHSA-N	-1	0	485.049	6.174	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223438150	569911421	/nfs/dbraw/zinc/91/14/21/569911421.db2.gz	QFKOELONDUUFRR-LOSJGSFVSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223438336	569911431	/nfs/dbraw/zinc/91/14/31/569911431.db2.gz	VWFHNSHKHFINOQ-RPBOFIJWSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223438389	569911441	/nfs/dbraw/zinc/91/14/41/569911441.db2.gz	VWFHNSHKHFINOQ-LOSJGSFVSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223437888	569911444	/nfs/dbraw/zinc/91/14/44/569911444.db2.gz	VTWFUPYRPKTFQN-LOSJGSFVSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223438086	569911457	/nfs/dbraw/zinc/91/14/57/569911457.db2.gz	QFKOELONDUUFRR-RPBOFIJWSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223441206	569911496	/nfs/dbraw/zinc/91/14/96/569911496.db2.gz	HDRTUGYOUNUSLV-CLJLJLNGSA-N	-1	0	499.592	5.530	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1	ZINC000223478106	569912695	/nfs/dbraw/zinc/91/26/95/569912695.db2.gz	XCRKGBCCFPXCLD-PKTZIBPZSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C(NCCOc1cccc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223529222	569914681	/nfs/dbraw/zinc/91/46/81/569914681.db2.gz	JAFWWHKVSBXSCA-UHFFFAOYSA-N	-1	0	480.973	5.103	40	0		JKABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)CCCC2	ZINC000223612935	569917904	/nfs/dbraw/zinc/91/79/04/569917904.db2.gz	UZTFBITZFLNRJT-UHFFFAOYSA-N	-1	0	451.632	5.843	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3C(C)C)ccc2Cl)c1	ZINC000223767878	569922632	/nfs/dbraw/zinc/92/26/32/569922632.db2.gz	SVDRZASIECNXHY-UHFFFAOYSA-N	-1	0	487.021	5.381	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223778111	569923026	/nfs/dbraw/zinc/92/30/26/569923026.db2.gz	GULOVNWKMDEABQ-RPBOFIJWSA-N	-1	0	485.565	5.534	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223833736	569924670	/nfs/dbraw/zinc/92/46/70/569924670.db2.gz	PDLFMAVGEIOYME-DQEYMECFSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223833480	569924672	/nfs/dbraw/zinc/92/46/72/569924672.db2.gz	YYAQWICJVHWVIM-DQEYMECFSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223834096	569924687	/nfs/dbraw/zinc/92/46/87/569924687.db2.gz	FEOPWZLGZCZZSD-LOSJGSFVSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223834161	569924691	/nfs/dbraw/zinc/92/46/91/569924691.db2.gz	FEOPWZLGZCZZSD-JWQCQUIFSA-N	-1	0	485.565	5.616	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223876082	569925898	/nfs/dbraw/zinc/92/58/98/569925898.db2.gz	BSZSUODGWMXYGC-DNQXCXABSA-N	-1	0	471.538	5.231	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223912425	569927017	/nfs/dbraw/zinc/92/70/17/569927017.db2.gz	MZKFKHFGFWBNKJ-RPBOFIJWSA-N	-1	0	484.581	5.283	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223912213	569927044	/nfs/dbraw/zinc/92/70/44/569927044.db2.gz	LKCOSUHMNGXGHX-LOSJGSFVSA-N	-1	0	484.581	5.283	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1	ZINC000223914345	569927082	/nfs/dbraw/zinc/92/70/82/569927082.db2.gz	IKUIJCATJYKTNZ-UIOOFZCWSA-N	-1	0	498.608	5.591	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1Cl	ZINC000223956006	569928356	/nfs/dbraw/zinc/92/83/56/569928356.db2.gz	REONZQIMUYIHQE-UHFFFAOYSA-N	-1	0	463.386	5.075	40	0		JKABRM
CC(C)(C)c1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000223955510	569928376	/nfs/dbraw/zinc/92/83/76/569928376.db2.gz	GXZZRIZRPKDRSR-UHFFFAOYSA-N	-1	0	487.021	5.247	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)c1C	ZINC000223962654	569928570	/nfs/dbraw/zinc/92/85/70/569928570.db2.gz	LNNWIESJPBSAIY-UHFFFAOYSA-N	-1	0	451.032	5.702	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2Cl)c1C	ZINC000223963290	569928636	/nfs/dbraw/zinc/92/86/36/569928636.db2.gz	RGIZFIMHLYRVDU-QGZVFWFLSA-N	-1	0	456.995	5.291	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2Cl)c(C)c1	ZINC000223965048	569928705	/nfs/dbraw/zinc/92/87/05/569928705.db2.gz	OSOSSOCJUQBRNQ-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
CCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000223966048	569928756	/nfs/dbraw/zinc/92/87/56/569928756.db2.gz	ZQWRFQIQBAIJAN-UHFFFAOYSA-N	-1	0	487.021	5.129	40	0		JKABRM
CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000223967411	569928801	/nfs/dbraw/zinc/92/88/01/569928801.db2.gz	YHIKEHVLHZMQGS-SFHVURJKSA-N	-1	0	451.032	5.704	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)c(C)c1	ZINC000223966705	569928808	/nfs/dbraw/zinc/92/88/08/569928808.db2.gz	WPRNVZWHPZGJFC-UHFFFAOYSA-N	-1	0	491.012	6.262	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000223967199	569928855	/nfs/dbraw/zinc/92/88/55/569928855.db2.gz	PQFWBBLFMXDNTN-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)c1	ZINC000223968957	569928899	/nfs/dbraw/zinc/92/88/99/569928899.db2.gz	QXRVQOAPOIDLGI-UHFFFAOYSA-N	-1	0	491.012	6.262	40	0		JKABRM
COCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000223970927	569928976	/nfs/dbraw/zinc/92/89/76/569928976.db2.gz	WHMJODHKQRBYQI-UHFFFAOYSA-N	-1	0	458.967	5.156	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223990866	569929694	/nfs/dbraw/zinc/92/96/94/569929694.db2.gz	AJZFPRABZFWCOI-DQEYMECFSA-N	-1	0	498.564	5.175	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223990726	569929710	/nfs/dbraw/zinc/92/97/10/569929710.db2.gz	PMQUFKAXJONCBP-LOSJGSFVSA-N	-1	0	498.564	5.175	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)ccc3C)ccc2Cl)c1	ZINC000224002221	569930093	/nfs/dbraw/zinc/93/00/93/569930093.db2.gz	IRFHVZLKSDCERI-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224032240	569931226	/nfs/dbraw/zinc/93/12/26/569931226.db2.gz	VJIMLHURZUTLIW-LOSJGSFVSA-N	-1	0	499.548	5.254	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(Cl)c3)ccc2Cl)cc1	ZINC000224140872	569934331	/nfs/dbraw/zinc/93/43/31/569934331.db2.gz	MSCDUCJBXUDMTO-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224212906	569936745	/nfs/dbraw/zinc/93/67/45/569936745.db2.gz	DJLHFARJVZQMLK-DNQXCXABSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224216253	569936813	/nfs/dbraw/zinc/93/68/13/569936813.db2.gz	BHJJQZSOBVUWCC-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224216054	569936824	/nfs/dbraw/zinc/93/68/24/569936824.db2.gz	JWWWJBOKVBSKBW-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224215950	569936844	/nfs/dbraw/zinc/93/68/44/569936844.db2.gz	NWQHSOPWJJPRMS-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224216188	569936856	/nfs/dbraw/zinc/93/68/56/569936856.db2.gz	JWWWJBOKVBSKBW-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1	ZINC000224218493	569936957	/nfs/dbraw/zinc/93/69/57/569936957.db2.gz	JEIHYDOGWZTWSN-DNQXCXABSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224244917	569937906	/nfs/dbraw/zinc/93/79/06/569937906.db2.gz	POXGRFWVULQABA-ZEQRLZLVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224248914	569938066	/nfs/dbraw/zinc/93/80/66/569938066.db2.gz	NGWNYCMAGBTNKI-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224248623	569938076	/nfs/dbraw/zinc/93/80/76/569938076.db2.gz	LYMHQEJCYPRXSG-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224250720	569938124	/nfs/dbraw/zinc/93/81/24/569938124.db2.gz	OJLXXRKOEQLZDV-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224312743	569940085	/nfs/dbraw/zinc/94/00/85/569940085.db2.gz	OLBIBRLDKSIHQE-DQEYMECFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224312874	569940091	/nfs/dbraw/zinc/94/00/91/569940091.db2.gz	OLBIBRLDKSIHQE-JWQCQUIFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224312945	569940111	/nfs/dbraw/zinc/94/01/11/569940111.db2.gz	LSSCDCTVVOJINL-DQEYMECFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224316357	569940248	/nfs/dbraw/zinc/94/02/48/569940248.db2.gz	WEJGDYUIWLMKEJ-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224316545	569940299	/nfs/dbraw/zinc/94/02/99/569940299.db2.gz	OLOOWYKSXSWFPW-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224345368	569941308	/nfs/dbraw/zinc/94/13/08/569941308.db2.gz	IHFGCJPPZKVBCU-LOSJGSFVSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224345511	569941332	/nfs/dbraw/zinc/94/13/32/569941332.db2.gz	LEFTWBCPANNYRT-RPBOFIJWSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224348799	569941489	/nfs/dbraw/zinc/94/14/89/569941489.db2.gz	HUPPAGTXZJRJLS-JWQCQUIFSA-N	-1	0	469.566	5.779	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224377488	569942498	/nfs/dbraw/zinc/94/24/98/569942498.db2.gz	AWOXJIDRGGKTIH-UIOOFZCWSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224380773	569942593	/nfs/dbraw/zinc/94/25/93/569942593.db2.gz	OSDZHBVUQXTWMS-FTJBHMTQSA-N	-1	0	483.593	6.340	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224381021	569942617	/nfs/dbraw/zinc/94/26/17/569942617.db2.gz	YUSYYNHXOYWRRI-IZZNHLLZSA-N	-1	0	483.593	6.340	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224412756	569943813	/nfs/dbraw/zinc/94/38/13/569943813.db2.gz	AVRPPCPQRIWLAJ-XZOQPEGZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224412410	569943828	/nfs/dbraw/zinc/94/38/28/569943828.db2.gz	KATWRBXEDUBREY-GOTSBHOMSA-N	-1	0	459.502	5.356	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224414487	569943861	/nfs/dbraw/zinc/94/38/61/569943861.db2.gz	WZQHHGSPIKUUGO-ZEQRLZLVSA-N	-1	0	473.529	5.664	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1Cl	ZINC000224423862	569944099	/nfs/dbraw/zinc/94/40/99/569944099.db2.gz	KPNGFPLHPZYGIV-UHFFFAOYSA-N	-1	0	452.315	5.373	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445716	569944728	/nfs/dbraw/zinc/94/47/28/569944728.db2.gz	PSKZRLYPWOLYHS-DHIUTWEWSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224446166	569944788	/nfs/dbraw/zinc/94/47/88/569944788.db2.gz	NGNVPECYBCFCFS-PKTZIBPZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224445916	569944809	/nfs/dbraw/zinc/94/48/09/569944809.db2.gz	YACZQVLADUNLKG-DHIUTWEWSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224448256	569944827	/nfs/dbraw/zinc/94/48/27/569944827.db2.gz	KLBKETSHDCTXKT-DHIUTWEWSA-N	-1	0	493.947	6.009	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224448301	569944838	/nfs/dbraw/zinc/94/48/38/569944838.db2.gz	KLBKETSHDCTXKT-PKTZIBPZSA-N	-1	0	493.947	6.009	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224477205	569945661	/nfs/dbraw/zinc/94/56/61/569945661.db2.gz	OEPNSFHLAPBHIF-GOTSBHOMSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224479012	569945715	/nfs/dbraw/zinc/94/57/15/569945715.db2.gz	YFPNJOKYGRCYRH-ZEQRLZLVSA-N	-1	0	489.984	6.179	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224546219	569947930	/nfs/dbraw/zinc/94/79/30/569947930.db2.gz	LDJFSUGNUXKCOG-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224546117	569947949	/nfs/dbraw/zinc/94/79/49/569947949.db2.gz	LDJFSUGNUXKCOG-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224545998	569947955	/nfs/dbraw/zinc/94/79/55/569947955.db2.gz	JZXUIWIQNRSCIR-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000224582378	569949500	/nfs/dbraw/zinc/94/95/00/569949500.db2.gz	WELJGMPZWQUEIO-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000224584289	569949596	/nfs/dbraw/zinc/94/95/96/569949596.db2.gz	FNWIEZVOEZVWER-LOSJGSFVSA-N	-1	0	485.565	5.534	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000224773689	569957011	/nfs/dbraw/zinc/95/70/11/569957011.db2.gz	PBHSEOSAWQXGPN-UHFFFAOYSA-N	-1	0	482.911	5.398	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)c1	ZINC000224869409	569961025	/nfs/dbraw/zinc/96/10/25/569961025.db2.gz	IIDKPIZQTGZPGE-UHFFFAOYSA-N	-1	0	484.883	5.600	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)c(C)c1	ZINC000224869594	569961039	/nfs/dbraw/zinc/96/10/39/569961039.db2.gz	IIWAJVZOQSUZHQ-UHFFFAOYSA-N	-1	0	498.910	5.909	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224882014	569961757	/nfs/dbraw/zinc/96/17/57/569961757.db2.gz	WVNQBPMNCOLHJC-XZOQPEGZSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000224908121	569962839	/nfs/dbraw/zinc/96/28/39/569962839.db2.gz	LQCHWFNDPBSFNV-ZEQRLZLVSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000224908157	569962881	/nfs/dbraw/zinc/96/28/81/569962881.db2.gz	LQCHWFNDPBSFNV-RPWUZVMVSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1F	ZINC000224912925	569963169	/nfs/dbraw/zinc/96/31/69/569963169.db2.gz	MPBKDPMJMIDNNC-JWQCQUIFSA-N	-1	0	487.556	5.973	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)s1	ZINC000224923349	569963555	/nfs/dbraw/zinc/96/35/55/569963555.db2.gz	PILNHTDQHUVAAI-UHFFFAOYSA-N	-1	0	483.040	5.055	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)c(C)c1	ZINC000224954695	569964841	/nfs/dbraw/zinc/96/48/41/569964841.db2.gz	UPDVLZNMMSEVFD-UHFFFAOYSA-N	-1	0	498.048	6.000	40	0		JKABRM
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000224954387	569964859	/nfs/dbraw/zinc/96/48/59/569964859.db2.gz	HCPBNXKBIBCRNN-UHFFFAOYSA-N	-1	0	469.994	5.383	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1Cl	ZINC000224954449	569964865	/nfs/dbraw/zinc/96/48/65/569964865.db2.gz	AYRHGMDGIQBWJQ-UHFFFAOYSA-N	-1	0	484.021	5.692	40	0		JKABRM
CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1	ZINC000408600810	569968769	/nfs/dbraw/zinc/96/87/69/569968769.db2.gz	COTHHNZNFZXOGQ-KRWDZBQOSA-N	-1	0	488.993	5.225	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2Cl)c1	ZINC000408603967	569970188	/nfs/dbraw/zinc/97/01/88/569970188.db2.gz	GNVZRUOOMODGPH-UHFFFAOYSA-N	-1	0	458.967	5.489	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225055877	569972305	/nfs/dbraw/zinc/97/23/05/569972305.db2.gz	PYSVAAUGTUHAOT-CLJLJLNGSA-N	-1	0	498.608	5.515	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1	ZINC000408610982	569972537	/nfs/dbraw/zinc/97/25/37/569972537.db2.gz	PJLAKKDLSGCCRL-UHFFFAOYSA-N	-1	0	460.299	5.486	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)c1	ZINC000408610883	569972548	/nfs/dbraw/zinc/97/25/48/569972548.db2.gz	OXIYHGOWAQLQMT-UHFFFAOYSA-N	-1	0	462.343	6.492	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(I)c1OCc1ccccc1	ZINC000408612626	569973220	/nfs/dbraw/zinc/97/32/20/569973220.db2.gz	SZMZKBVKORRDOY-UHFFFAOYSA-N	-1	0	489.309	5.189	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(OC)c(C)c1	ZINC000225072028	569973362	/nfs/dbraw/zinc/97/33/62/569973362.db2.gz	HIDLJWUMVTZCAN-OAQYLSRUSA-N	-1	0	487.021	5.647	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1Cl	ZINC000408613898	569973604	/nfs/dbraw/zinc/97/36/04/569973604.db2.gz	YKNGUIGCSNKNAF-UHFFFAOYSA-N	-1	0	466.430	6.271	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408614096	569973631	/nfs/dbraw/zinc/97/36/31/569973631.db2.gz	YHDXRAXRCRFNCT-UHFFFAOYSA-N	-1	0	476.754	6.000	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)c1	ZINC000408614223	569973746	/nfs/dbraw/zinc/97/37/46/569973746.db2.gz	ZWYGPUJJBOWAJR-UHFFFAOYSA-N	-1	0	491.179	6.101	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1cccc(Cl)c1	ZINC000408614167	569973780	/nfs/dbraw/zinc/97/37/80/569973780.db2.gz	ZGUJKHBNEIBCCE-UHFFFAOYSA-N	-1	0	476.754	6.000	40	0		JKABRM
COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000225138296	569977352	/nfs/dbraw/zinc/97/73/52/569977352.db2.gz	UEYXQNATHPLBTR-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1	ZINC000408621006	569978054	/nfs/dbraw/zinc/97/80/54/569978054.db2.gz	KREZTKVNDBRLQF-UHFFFAOYSA-N	-1	0	491.613	5.064	40	0		JKABRM
O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408622817	569978992	/nfs/dbraw/zinc/97/89/92/569978992.db2.gz	RNMKZZKVNCUBIB-UHFFFAOYSA-N	-1	0	486.637	6.208	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2Cl)cc1	ZINC000408625410	569980209	/nfs/dbraw/zinc/98/02/09/569980209.db2.gz	UVCDIXNRWWXZAV-GOSISDBHSA-N	-1	0	456.995	5.200	40	0		JKABRM
COc1ccc(Cl)cc1C=C(Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-]	ZINC000408630563	569982303	/nfs/dbraw/zinc/98/23/03/569982303.db2.gz	BUTSQDXXSBKJBF-PXNMLYILSA-N	-1	0	452.319	5.014	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])o1	ZINC000408630564	569982349	/nfs/dbraw/zinc/98/23/49/569982349.db2.gz	BUUJPGFOJUVVFH-YVLHZVERSA-N	-1	0	451.331	5.736	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)C(=O)[O-])o1	ZINC000408630799	569982465	/nfs/dbraw/zinc/98/24/65/569982465.db2.gz	CULCIFGCJXGADA-MTJSOVHGSA-N	-1	0	454.548	5.363	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cc(C(C)C)c(OC)cc3C)C(=O)[O-])n[nH]2)c1	ZINC000408630779	569982478	/nfs/dbraw/zinc/98/24/78/569982478.db2.gz	BBJCOBWUTYJVPW-NHDPSOOVSA-N	-1	0	469.563	5.147	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)[O-])o1	ZINC000408630686	569982486	/nfs/dbraw/zinc/98/24/86/569982486.db2.gz	ADPJILNFZFIHTI-GRSHGNNSSA-N	-1	0	476.938	5.412	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)[O-])o2)c1	ZINC000408631037	569982684	/nfs/dbraw/zinc/98/26/84/569982684.db2.gz	BRXLHEFINSLZPO-FMCGGJTJSA-N	-1	0	490.537	5.551	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408631091	569982687	/nfs/dbraw/zinc/98/26/87/569982687.db2.gz	BWSQWDVBBYCVMJ-XKZIYDEJSA-N	-1	0	491.525	5.169	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(Cl)cc2Cl)C(=O)[O-])o1	ZINC000408631068	569982741	/nfs/dbraw/zinc/98/27/41/569982741.db2.gz	BUNYBNDFEZDOMC-UUASQNMZSA-N	-1	0	457.722	5.923	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(Br)s2)C(=O)[O-])o1	ZINC000408631275	569982822	/nfs/dbraw/zinc/98/28/22/569982822.db2.gz	CXRORYICOWGECQ-GHXNOFRVSA-N	-1	0	473.757	5.440	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])o1	ZINC000408631315	569982826	/nfs/dbraw/zinc/98/28/26/569982826.db2.gz	HKLBJBUNKDIVLT-MFOYZWKCSA-N	-1	0	485.776	6.389	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000408631342	569982858	/nfs/dbraw/zinc/98/28/58/569982858.db2.gz	HUUMZCORDJHDNJ-MOSHPQCFSA-N	-1	0	473.982	5.606	40	0		JKABRM
CCc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])o1	ZINC000408631237	569982871	/nfs/dbraw/zinc/98/28/71/569982871.db2.gz	GQXAXYVBQQWANI-NDENLUEZSA-N	-1	0	453.951	5.815	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])n[nH]1	ZINC000408631310	569982875	/nfs/dbraw/zinc/98/28/75/569982875.db2.gz	HJKHOQNKHZBKAB-YVLHZVERSA-N	-1	0	450.347	5.471	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2OCc2ccccc2)C(=O)[O-])o1	ZINC000408631392	569983007	/nfs/dbraw/zinc/98/30/07/569983007.db2.gz	DQQPTYFAZALHKY-XKZIYDEJSA-N	-1	0	494.956	6.195	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c2ccccc2n1Cc1ccc(F)cc1	ZINC000408631601	569983105	/nfs/dbraw/zinc/98/31/05/569983105.db2.gz	AAWKRNAAFVXEOH-OYKKKHCWSA-N	-1	0	458.514	6.496	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)[O-])o1	ZINC000408631543	569983115	/nfs/dbraw/zinc/98/31/15/569983115.db2.gz	FLPMZHSITWVCFO-UUYOSTAYSA-N	-1	0	496.972	6.557	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C(=O)[O-])o1	ZINC000408631828	569983192	/nfs/dbraw/zinc/98/31/92/569983192.db2.gz	LZRBPGZUBFRASX-LCYFTJDESA-N	-1	0	453.339	5.357	40	0		JKABRM
O=C([O-])/C(=C/c1c(OCc2ccccc2)ccc2ccccc21)Sc1nc2ccccc2o1	ZINC000408631691	569983202	/nfs/dbraw/zinc/98/32/02/569983202.db2.gz	AMDXJLSCSPLHMX-XYGWBWBKSA-N	-1	0	453.519	6.778	40	0		JKABRM
CCOc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c2ccccc12	ZINC000408631704	569983240	/nfs/dbraw/zinc/98/32/40/569983240.db2.gz	AROZBMJAUCCPMC-MOSHPQCFSA-N	-1	0	451.935	5.895	40	0		JKABRM
Cc1ccc(COc2ccc(Br)cc2/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1	ZINC000408631726	569983245	/nfs/dbraw/zinc/98/32/45/569983245.db2.gz	BGAAOMQICNBOAY-XKZIYDEJSA-N	-1	0	495.398	6.431	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C(=O)[O-])o1	ZINC000408631919	569983374	/nfs/dbraw/zinc/98/33/74/569983374.db2.gz	NFGAEEZZKRVISH-BOPFTXTBSA-N	-1	0	461.337	5.191	40	0		JKABRM
Cc1nc(-c2cccc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(Cl)cc3Cl)c2)cs1	ZINC000225219370	569983292	/nfs/dbraw/zinc/98/32/92/569983292.db2.gz	HALHQYYMVNNNPQ-QGZVFWFLSA-N	-1	0	466.415	5.928	40	0		JKABRM
Cc1nnc(S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])o1	ZINC000408631861	569983312	/nfs/dbraw/zinc/98/33/12/569983312.db2.gz	MISSNDPGKURWFL-OCKHKDLRSA-N	-1	0	460.342	5.906	40	0		JKABRM
O=C([O-])/C(=C/c1c(OCc2ccccc2F)ccc2ccccc21)Sc1nc2ccccc2[nH]1	ZINC000408631982	569983332	/nfs/dbraw/zinc/98/33/32/569983332.db2.gz	CBHAXSBOMIDNKE-MYYYXRDXSA-N	-1	0	470.525	6.652	40	0		JKABRM
CCc1nc(SC(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)[O-])n[nH]1	ZINC000408632187	569983440	/nfs/dbraw/zinc/98/34/40/569983440.db2.gz	OOCAQHXFXPXXRY-PLRJNAJWSA-N	-1	0	492.604	6.710	40	0		JKABRM
CCc1nc(SC(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)[O-])n[nH]1	ZINC000408632131	569983497	/nfs/dbraw/zinc/98/34/97/569983497.db2.gz	NQQWEQNWHSOUBF-YVLHZVERSA-N	-1	0	450.347	5.471	40	0		JKABRM
O=C([O-])C[C@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000225222785	569983542	/nfs/dbraw/zinc/98/35/42/569983542.db2.gz	UDVMUHROGIYGIJ-SFHVURJKSA-N	-1	0	461.971	5.528	40	0		JKABRM
COc1cc(OC)c(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Br	ZINC000408632340	569983558	/nfs/dbraw/zinc/98/35/58/569983558.db2.gz	DOMMILIFNWVISX-PXNMLYILSA-N	-1	0	496.770	5.123	40	0		JKABRM
CCc1nnc(S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])o1	ZINC000408632189	569983575	/nfs/dbraw/zinc/98/35/75/569983575.db2.gz	OOYNJWMRZCIBKG-OCKHKDLRSA-N	-1	0	474.369	6.160	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408632202	569983584	/nfs/dbraw/zinc/98/35/84/569983584.db2.gz	OQNRGFDRVTXCNP-WQRHYEAKSA-N	-1	0	492.370	5.456	40	0		JKABRM
CCn1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])c2ccccc21	ZINC000408632306	569983592	/nfs/dbraw/zinc/98/35/92/569983592.db2.gz	IOYDAUPAXZBRSS-XKZIYDEJSA-N	-1	0	478.574	5.175	40	0		JKABRM
CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])c2ccccc12	ZINC000408632236	569983599	/nfs/dbraw/zinc/98/35/99/569983599.db2.gz	PDYWASMEZBTCIW-MTJSOVHGSA-N	-1	0	481.961	5.903	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cn(C(C)C)c4ccccc34)C(=O)[O-])o2)c1	ZINC000408632258	569983617	/nfs/dbraw/zinc/98/36/17/569983617.db2.gz	IFLSZSLVVGGBBX-NHDPSOOVSA-N	-1	0	465.531	5.507	40	0		JKABRM
O=C([O-])C[C@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1cccc(Cl)c1	ZINC000225223162	569983688	/nfs/dbraw/zinc/98/36/88/569983688.db2.gz	WHQRWPFZFWJIFR-SFHVURJKSA-N	-1	0	478.426	6.042	40	0		JKABRM
O=C([O-])C(=Cc1ccc(OCc2ccc(Cl)cc2)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632375	569983702	/nfs/dbraw/zinc/98/37/02/569983702.db2.gz	FDTIGACQZQFIAD-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Br)cc3)cc2)C(=O)[O-])n[nH]1	ZINC000408632490	569983724	/nfs/dbraw/zinc/98/37/24/569983724.db2.gz	QMUXIBOLBRFOTH-PDGQHHTCSA-N	-1	0	474.380	5.317	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)Sc1nc2ccccc2[nH]1	ZINC000408632399	569983752	/nfs/dbraw/zinc/98/37/52/569983752.db2.gz	FMIUKKJKHJUZQP-MTJSOVHGSA-N	-1	0	471.365	6.667	40	0		JKABRM
O=C([O-])C(=Cc1ccccc1OCc1cccc(Cl)c1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632368	569983754	/nfs/dbraw/zinc/98/37/54/569983754.db2.gz	FADRGZRNCPDYRW-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632404	569983809	/nfs/dbraw/zinc/98/38/09/569983809.db2.gz	FOSJIDRPUUDGJP-BKUYFWCQSA-N	-1	0	482.920	6.326	40	0		JKABRM
O=C([O-])C(=Cc1ccc(OCc2cccc(Cl)c2)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632664	569983830	/nfs/dbraw/zinc/98/38/30/569983830.db2.gz	GPEUUECNIOUORG-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OC(C)C)c4ccccc34)C(=O)[O-])n[nH]2)c1	ZINC000408632546	569983882	/nfs/dbraw/zinc/98/38/82/569983882.db2.gz	JNTVXTOSZKBRMK-QRVIBDJDSA-N	-1	0	491.569	5.647	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(Sc3ccccc3)o2)C(=O)[O-])n[nH]1	ZINC000408632603	569983903	/nfs/dbraw/zinc/98/39/03/569983903.db2.gz	RUQDJCWTGDGFBD-PDGQHHTCSA-N	-1	0	485.974	6.096	40	0		JKABRM
Cc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])o2)c(Br)c1	ZINC000408632645	569983936	/nfs/dbraw/zinc/98/39/36/569983936.db2.gz	GHEZBBYYTFGCRL-ODLFYWEKSA-N	-1	0	455.333	6.112	40	0		JKABRM
CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(Cl)cc3)n2)cc1	ZINC000225226945	569983957	/nfs/dbraw/zinc/98/39/57/569983957.db2.gz	LKIWODDQMDFUGL-IBGZPJMESA-N	-1	0	485.997	5.083	40	0		JKABRM
CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(SC)cc3)n2)cc1	ZINC000225226898	569983990	/nfs/dbraw/zinc/98/39/90/569983990.db2.gz	ABQSXUWVEVFKPZ-HXUWFJFHSA-N	-1	0	497.646	5.152	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408632872	569984015	/nfs/dbraw/zinc/98/40/15/569984015.db2.gz	UMTCHAMSOINQRZ-PDGQHHTCSA-N	-1	0	474.380	5.317	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)cc(I)c1O)Sc1nc2ccccc2o1	ZINC000408632688	569984047	/nfs/dbraw/zinc/98/40/47/569984047.db2.gz	GXACKFYHZKBRBV-MLPAPPSSSA-N	-1	0	473.675	5.009	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)Sc1nc2ccccc2[nH]1	ZINC000408632697	569984054	/nfs/dbraw/zinc/98/40/54/569984054.db2.gz	HBDNAJGHPFFJFS-MTJSOVHGSA-N	-1	0	499.361	6.261	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2cccc3ccccc32)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408632687	569984066	/nfs/dbraw/zinc/98/40/66/569984066.db2.gz	GWDHVCOUKVEIRT-YUMHPJSZSA-N	-1	0	475.573	6.937	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)[O-])n[nH]1	ZINC000408632752	569984068	/nfs/dbraw/zinc/98/40/68/569984068.db2.gz	SDNSEUJNMKTCJW-WQRHYEAKSA-N	-1	0	464.374	5.861	40	0		JKABRM
CCn1c(S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408632760	569984076	/nfs/dbraw/zinc/98/40/76/569984076.db2.gz	KFCFTEGHPYPBQR-DEDYPNTBSA-N	-1	0	457.983	5.871	40	0		JKABRM
O=C([O-])/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21)Sc1nc2ccccc2[nH]1	ZINC000408632982	569984121	/nfs/dbraw/zinc/98/41/21/569984121.db2.gz	IMADKNMRXJFFHU-MYYYXRDXSA-N	-1	0	486.980	7.166	40	0		JKABRM
CC(C)Oc1ccc(Cl)cc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408632931	569984146	/nfs/dbraw/zinc/98/41/46/569984146.db2.gz	HRIYEWXNXZYLPG-LICLKQGHSA-N	-1	0	450.347	5.784	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408632909	569984225	/nfs/dbraw/zinc/98/42/25/569984225.db2.gz	VAEKBUHEICNNCA-NDENLUEZSA-N	-1	0	452.967	5.631	40	0		JKABRM
COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(Cl)c1OC(C)C	ZINC000408633244	569984261	/nfs/dbraw/zinc/98/42/61/569984261.db2.gz	JIQHENLBFLWJLZ-YVLHZVERSA-N	-1	0	480.373	5.792	40	0		JKABRM
Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)n1	ZINC000225228998	569984318	/nfs/dbraw/zinc/98/43/18/569984318.db2.gz	JSNGMFXXAKVYBU-KRWDZBQOSA-N	-1	0	494.379	5.477	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)[O-])o1	ZINC000408633253	569984323	/nfs/dbraw/zinc/98/43/23/569984323.db2.gz	XGINREFWDJZHBR-ZDLGFXPLSA-N	-1	0	481.357	5.744	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408633194	569984342	/nfs/dbraw/zinc/98/43/42/569984342.db2.gz	WZUFHUUCRCCBAD-XKZIYDEJSA-N	-1	0	467.591	5.488	40	0		JKABRM
CCCc1nc(SC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])n[nH]1	ZINC000408633156	569984362	/nfs/dbraw/zinc/98/43/62/569984362.db2.gz	WPMBEZJWMXLKBN-HMAPJEAMSA-N	-1	0	479.989	6.361	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)[O-])o1	ZINC000408633383	569984429	/nfs/dbraw/zinc/98/44/29/569984429.db2.gz	MTNVSCHHKOYIKK-MTJSOVHGSA-N	-1	0	496.928	6.079	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c(OC(C)C)ccc3ccccc32)C(=O)[O-])o1	ZINC000408633334	569984479	/nfs/dbraw/zinc/98/44/79/569984479.db2.gz	MNTIPNGFKRZULO-XKZIYDEJSA-N	-1	0	496.972	6.557	40	0		JKABRM
COc1c(Br)cc(Br)cc1/C=C(\Sc1nc2ccccc2o1)C(=O)[O-]	ZINC000408633401	569984489	/nfs/dbraw/zinc/98/44/89/569984489.db2.gz	KJCPNSUAOHNGMU-AUWJEWJLSA-N	-1	0	485.153	5.579	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2[nH]1	ZINC000408633389	569984494	/nfs/dbraw/zinc/98/44/94/569984494.db2.gz	KGFHJAGSBAHESE-MTJSOVHGSA-N	-1	0	471.365	6.667	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccccc3OCc3ccccc3)C(=O)[O-])o2)c1	ZINC000408633494	569984543	/nfs/dbraw/zinc/98/45/43/569984543.db2.gz	NJFYGESJXAGUHG-UCQKPKSFSA-N	-1	0	490.537	5.551	40	0		JKABRM
COC(=O)c1cc2cc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(Cl)cc3Cl)ccc2s1	ZINC000225231894	569984555	/nfs/dbraw/zinc/98/45/55/569984555.db2.gz	GLIKKKSPHJODFJ-HNNXBMFYSA-N	-1	0	483.398	5.497	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408633576	569984611	/nfs/dbraw/zinc/98/46/11/569984611.db2.gz	KQGOGLGXKREKCI-WQRHYEAKSA-N	-1	0	491.878	6.622	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2cccc(Cl)c2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408633712	569984689	/nfs/dbraw/zinc/98/46/89/569984689.db2.gz	LQLVHEWURUVTPN-WQRHYEAKSA-N	-1	0	458.326	6.256	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(SC(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)C(=O)[O-])o2)c1	ZINC000408633791	569984807	/nfs/dbraw/zinc/98/48/07/569984807.db2.gz	PMMQKENMOZPACX-XKZIYDEJSA-N	-1	0	492.509	5.434	40	0		JKABRM
Cc1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])o2)c(Br)c1	ZINC000408633869	569984824	/nfs/dbraw/zinc/98/48/24/569984824.db2.gz	MPOQFDSSFUSWCT-ODLFYWEKSA-N	-1	0	456.317	6.377	40	0		JKABRM
O=C([O-])/C(=C/c1cccn1-c1ccc(Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633936	569984839	/nfs/dbraw/zinc/98/48/39/569984839.db2.gz	NVMHLBTZKRYJRS-PDGQHHTCSA-N	-1	0	458.326	6.052	40	0		JKABRM
O=C([O-])/C(=C/c1c(OCc2ccccc2)ccc2ccccc21)Sc1nc2ccccc2[nH]1	ZINC000408634388	569985019	/nfs/dbraw/zinc/98/50/19/569985019.db2.gz	QNXJUQUOKOCBKO-XYGWBWBKSA-N	-1	0	452.535	6.513	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)Sc1nc2ccccc2o1	ZINC000408634126	569985054	/nfs/dbraw/zinc/98/50/54/569985054.db2.gz	PLGUZCOAFVFNPW-NHDPSOOVSA-N	-1	0	472.349	6.931	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3c(OC(C)C)ccc4ccccc43)C(=O)[O-])o2)c1	ZINC000408634169	569985056	/nfs/dbraw/zinc/98/50/56/569985056.db2.gz	RRGYGEUBRNAOGA-UCQKPKSFSA-N	-1	0	492.553	5.912	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408634393	569985070	/nfs/dbraw/zinc/98/50/70/569985070.db2.gz	QPRSKRNPGYGGLT-XKZIYDEJSA-N	-1	0	467.930	6.287	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(Br)c1O	ZINC000408634561	569985138	/nfs/dbraw/zinc/98/51/38/569985138.db2.gz	RQYMWZJHJZCIFB-ZSOIEALJSA-N	-1	0	483.727	5.085	40	0		JKABRM
Cc1ccc(Cl)cc1-c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])o1	ZINC000408634448	569985154	/nfs/dbraw/zinc/98/51/54/569985154.db2.gz	RJUFZOLTGIRWOH-ODLFYWEKSA-N	-1	0	473.337	6.830	40	0		JKABRM
Cc1cccc2c(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])c(-c3ccccc3)[nH]c21	ZINC000408634751	569985274	/nfs/dbraw/zinc/98/52/74/569985274.db2.gz	TXNCKLRLDDHLHS-STZFKDTASA-N	-1	0	486.984	6.800	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)[O-])o1	ZINC000408634664	569985302	/nfs/dbraw/zinc/98/53/02/569985302.db2.gz	WGJYRGHLZVRXCH-JMIUGGIZSA-N	-1	0	474.966	6.057	40	0		JKABRM
CCn1c(S/C(=C\c2cc(Cl)ccc2OC)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634714	569985305	/nfs/dbraw/zinc/98/53/05/569985305.db2.gz	WUDINDBUMLMGOI-BOPFTXTBSA-N	-1	0	450.347	5.498	40	0		JKABRM
O=C([O-])C(=Cc1ccccc1OCc1ccc(F)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634784	569985306	/nfs/dbraw/zinc/98/53/06/569985306.db2.gz	UNNZPDCFKHVJRD-BKUYFWCQSA-N	-1	0	481.936	6.061	40	0		JKABRM
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c(C)n1-c1cccnc1	ZINC000408634847	569985407	/nfs/dbraw/zinc/98/54/07/569985407.db2.gz	VOVYMLBKGJEPII-ODLFYWEKSA-N	-1	0	452.923	5.410	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c2ccccc2n1Cc1ccccc1F	ZINC000408634961	569985418	/nfs/dbraw/zinc/98/54/18/569985418.db2.gz	VVSWQZLGASJZBX-OYKKKHCWSA-N	-1	0	458.514	6.496	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccn3-c3ccc(Cl)cc3)C(=O)[O-])o2)c1	ZINC000408634917	569985433	/nfs/dbraw/zinc/98/54/33/569985433.db2.gz	XYVRIDZDWOHFPE-NDENLUEZSA-N	-1	0	483.933	5.416	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408634800	569985438	/nfs/dbraw/zinc/98/54/38/569985438.db2.gz	UUIBMOABZCAKTQ-FMCGGJTJSA-N	-1	0	495.387	7.355	40	0		JKABRM
CC(C)Oc1ccc(Br)cc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000408635180	569985547	/nfs/dbraw/zinc/98/55/47/569985547.db2.gz	XRJPWEIPCADQPR-LICLKQGHSA-N	-1	0	495.782	6.158	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Cl)cc2Cl)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408635123	569985586	/nfs/dbraw/zinc/98/55/86/569985586.db2.gz	ZAXPITNKFJKWDP-SXGWCWSVSA-N	-1	0	454.766	6.143	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408635312	569985627	/nfs/dbraw/zinc/98/56/27/569985627.db2.gz	ZAFCQOWEAVBZMY-PKAZHMFMSA-N	-1	0	496.588	6.912	40	0		JKABRM
COc1ccc(Br)cc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-]	ZINC000408635289	569985635	/nfs/dbraw/zinc/98/56/35/569985635.db2.gz	ZXFJTSJFVBPDSL-PXNMLYILSA-N	-1	0	497.754	5.388	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccccc2)c2ccccc12)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635263	569985645	/nfs/dbraw/zinc/98/56/45/569985645.db2.gz	YSHUOTNJBJOOHM-UCQKPKSFSA-N	-1	0	487.968	6.611	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Cl)ccc3OC(C)C)C(=O)[O-])n[nH]2)c1	ZINC000408635258	569985711	/nfs/dbraw/zinc/98/57/11/569985711.db2.gz	ZPAZIWOKXSFFJA-VXLYETTFSA-N	-1	0	475.954	5.147	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)N1CCCCC1	ZINC000408635422	569985845	/nfs/dbraw/zinc/98/58/45/569985845.db2.gz	AYFPFAWNMSAVQW-UHFFFAOYSA-N	-1	0	466.628	5.573	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(OC)c1	ZINC000408635869	569986209	/nfs/dbraw/zinc/98/62/09/569986209.db2.gz	IRPUXPNRBIFJJM-UHFFFAOYSA-N	-1	0	494.491	5.084	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000225355044	569992581	/nfs/dbraw/zinc/99/25/81/569992581.db2.gz	ZBCUODQUFCSUNU-FTJBHMTQSA-N	-1	0	499.592	6.004	40	0		JKABRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1	ZINC000225435324	569996713	/nfs/dbraw/zinc/99/67/13/569996713.db2.gz	DIZGZGXGFORAFP-UHFFFAOYSA-N	-1	0	468.756	5.704	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)cc1C	ZINC000225528963	570002814	/nfs/dbraw/zinc/00/28/14/570002814.db2.gz	GDINWUNLTUKWRZ-UHFFFAOYSA-N	-1	0	467.056	5.163	40	0		JKABRM
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	ZINC000408679874	570011984	/nfs/dbraw/zinc/01/19/84/570011984.db2.gz	MCHDIAPDCQTCFO-QGZVFWFLSA-N	-1	0	492.519	5.529	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(SC(C)C)s2)ccc1Cl	ZINC000225651340	570012402	/nfs/dbraw/zinc/01/24/02/570012402.db2.gz	FRJOEYQPJJKXNQ-UHFFFAOYSA-N	-1	0	483.040	5.054	40	0		JKABRM
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000408681867	570012804	/nfs/dbraw/zinc/01/28/04/570012804.db2.gz	UTARXFUFPXNLMY-JOCHJYFZSA-N	-1	0	488.993	5.254	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C(C)(C)C)cc1	ZINC000408682351	570012912	/nfs/dbraw/zinc/01/29/12/570012912.db2.gz	XPMJBTSYPKKXEE-UHFFFAOYSA-N	-1	0	482.602	5.119	40	0		JKABRM
CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3SCc3ccc(Cl)cc3)cc2sc1=O	ZINC000225696322	570015626	/nfs/dbraw/zinc/01/56/26/570015626.db2.gz	CGGUIWHYRGJWOE-UHFFFAOYSA-N	-1	0	491.059	5.829	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)N1CCCC1	ZINC000408693060	570015810	/nfs/dbraw/zinc/01/58/10/570015810.db2.gz	DUSUZGPUVGMIBN-UHFFFAOYSA-N	-1	0	486.977	5.178	40	0		JKABRM
CC(C)c1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	ZINC000225702918	570016102	/nfs/dbraw/zinc/01/61/02/570016102.db2.gz	ZFNUVUWOPYJYPH-UHFFFAOYSA-N	-1	0	471.391	5.021	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C(C)C	ZINC000408694187	570016758	/nfs/dbraw/zinc/01/67/58/570016758.db2.gz	FBLZEBDKKWFCRS-SFHVURJKSA-N	-1	0	452.576	5.110	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1	ZINC000225724023	570017901	/nfs/dbraw/zinc/01/79/01/570017901.db2.gz	GTPFEUMXALSOHO-UHFFFAOYSA-N	-1	0	483.040	5.055	40	0		JKABRM
CCCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc2sc1=O	ZINC000225726786	570018168	/nfs/dbraw/zinc/01/81/68/570018168.db2.gz	SGPQQFJBECKTHR-UHFFFAOYSA-N	-1	0	474.991	5.720	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2Cl)cc1C	ZINC000225755419	570020316	/nfs/dbraw/zinc/02/03/16/570020316.db2.gz	AFRBMCZSILDVGE-UHFFFAOYSA-N	-1	0	497.067	5.362	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)s1)c1ccc(Cl)cc1Cl	ZINC000225770895	570020927	/nfs/dbraw/zinc/02/09/27/570020927.db2.gz	JTECRFKUCYUOAX-UHFFFAOYSA-N	-1	0	498.200	5.205	40	0		JKABRM
COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1	ZINC000225783659	570021485	/nfs/dbraw/zinc/02/14/85/570021485.db2.gz	IYWDSVIRUFZDMU-UHFFFAOYSA-N	-1	0	493.006	5.622	40	0		JKABRM
CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225789949	570021837	/nfs/dbraw/zinc/02/18/37/570021837.db2.gz	FTACXWWAWRJYEV-UHFFFAOYSA-N	-1	0	491.059	5.678	40	0		JKABRM
CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225803596	570022650	/nfs/dbraw/zinc/02/26/50/570022650.db2.gz	QSPFZMJNDIZQFC-UHFFFAOYSA-N	-1	0	491.059	5.678	40	0		JKABRM
O=C([O-])c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1	ZINC000408703057	570023042	/nfs/dbraw/zinc/02/30/42/570023042.db2.gz	DLVSKLNUYKBOBR-HSZRJFAPSA-N	-1	0	466.946	5.065	40	0		JKABRM
COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc2sc(C(=O)N3CCCC3)cc2c1	ZINC000408713441	570025506	/nfs/dbraw/zinc/02/55/06/570025506.db2.gz	YVAXVINQEJKUIC-UHFFFAOYSA-N	-1	0	458.605	5.070	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(Br)c1	ZINC000408721393	570026822	/nfs/dbraw/zinc/02/68/22/570026822.db2.gz	GSJIRFHZTWFMDW-CJRSTVEYSA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C([O-])CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)NC3CCCCC3)cc2s1	ZINC000408748222	570033207	/nfs/dbraw/zinc/03/32/07/570033207.db2.gz	AJIJRXWHGOUVQX-UHFFFAOYSA-N	-1	0	483.615	5.178	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1	ZINC000408748980	570033375	/nfs/dbraw/zinc/03/33/75/570033375.db2.gz	DDDFPLVSWYNGBC-HOTGVXAUSA-N	-1	0	495.453	6.725	40	0		JKABRM
Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)cc1	ZINC000408749137	570033454	/nfs/dbraw/zinc/03/34/54/570033454.db2.gz	DSABHTGFZACGKX-UHFFFAOYSA-N	-1	0	462.552	5.530	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1C	ZINC000408749406	570033553	/nfs/dbraw/zinc/03/35/53/570033553.db2.gz	GOYTXEZIULPSID-OALUTQOASA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408749536	570033687	/nfs/dbraw/zinc/03/36/87/570033687.db2.gz	HJSPOAVQVZAKTO-ZWKOTPCHSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408749534	570033703	/nfs/dbraw/zinc/03/37/03/570033703.db2.gz	HJSPOAVQVZAKTO-ROUUACIJSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1	ZINC000408749939	570033860	/nfs/dbraw/zinc/03/38/60/570033860.db2.gz	KALRIJRYNQORJY-MSOLQXFVSA-N	-1	0	483.615	5.165	40	0		JKABRM
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1	ZINC000408750755	570034106	/nfs/dbraw/zinc/03/41/06/570034106.db2.gz	RIRLVBWYLCFJEH-UHFFFAOYSA-N	-1	0	491.594	5.594	40	0		JKABRM
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2s1	ZINC000408750893	570034184	/nfs/dbraw/zinc/03/41/84/570034184.db2.gz	TUWOAHSWSRERFW-MSOLQXFVSA-N	-1	0	497.642	5.473	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408751098	570034299	/nfs/dbraw/zinc/03/42/99/570034299.db2.gz	WKTYMYRGOSOJMS-DLBZAZTESA-N	-1	0	461.008	6.072	40	0		JKABRM
Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2s1	ZINC000408751083	570034291	/nfs/dbraw/zinc/03/42/91/570034291.db2.gz	WFECZEWSJMFMJC-IRXDYDNUSA-N	-1	0	483.615	5.165	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1	ZINC000408751164	570034302	/nfs/dbraw/zinc/03/43/02/570034302.db2.gz	XFSUQMBPSRXCJX-UHFFFAOYSA-N	-1	0	497.985	5.631	40	0		JKABRM
Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2s1	ZINC000408751084	570034310	/nfs/dbraw/zinc/03/43/10/570034310.db2.gz	WFECZEWSJMFMJC-SJORKVTESA-N	-1	0	483.615	5.165	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000408751192	570034429	/nfs/dbraw/zinc/03/44/29/570034429.db2.gz	XNXFAYWNXQSGCF-RTWAWAEBSA-N	-1	0	476.623	6.571	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)S2)cc1	ZINC000408782283	570042122	/nfs/dbraw/zinc/04/21/22/570042122.db2.gz	GULMDRYUDXQMQV-IBYCJETLSA-N	-1	0	460.555	5.126	40	0		JKABRM
CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408802180	570046064	/nfs/dbraw/zinc/04/60/64/570046064.db2.gz	YIFYKUQVTKBCMU-UKZSEROLSA-N	-1	0	495.621	5.603	40	0		JKABRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408803093	570046544	/nfs/dbraw/zinc/04/65/44/570046544.db2.gz	LEUFGAZJWQZXCU-HJJJKZITSA-N	-1	0	451.568	5.204	40	0		JKABRM
COc1cc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408803586	570046602	/nfs/dbraw/zinc/04/66/02/570046602.db2.gz	QUTZUSGBBRJVBD-BMDKHDJKSA-N	-1	0	481.594	5.213	40	0		JKABRM
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1Nc1ccccc1	ZINC000408813724	570049820	/nfs/dbraw/zinc/04/98/20/570049820.db2.gz	UYEOOUKUMJBLFP-JGHMOANSSA-N	-1	0	487.601	6.699	40	0		JKABRM
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1	ZINC000408819968	570051606	/nfs/dbraw/zinc/05/16/06/570051606.db2.gz	SEELWEPDMIMQEF-UHFFFAOYSA-N	-1	0	469.926	5.378	40	0		JKABRM
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(C(=O)[O-])[C@@H](O)CC[C@@]43C)[C@@H]2C1	ZINC000245204479	570054669	/nfs/dbraw/zinc/05/46/69/570054669.db2.gz	BZXULBWGROURAF-LMZUXBMISA-N	-1	0	456.711	7.234	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2Cl)cc1	ZINC000408920449	570076949	/nfs/dbraw/zinc/07/69/49/570076949.db2.gz	HXRPILNGPZYVLE-UHFFFAOYSA-N	-1	0	491.034	5.330	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1	ZINC000408921664	570077355	/nfs/dbraw/zinc/07/73/55/570077355.db2.gz	BYKGSIVTWKRKCZ-SFHVURJKSA-N	-1	0	470.616	5.065	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2C1	ZINC000248338809	570077881	/nfs/dbraw/zinc/07/78/81/570077881.db2.gz	RWNHLTKFBKYDOJ-CELHUSQDSA-N	-1	0	488.709	5.177	40	0	endogenous,in-man	JKABRM
Cc1ccc(OCCN2C(=O)S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408959792	570085393	/nfs/dbraw/zinc/08/53/93/570085393.db2.gz	GALWSZWYYGUOIQ-JLPGSUDCSA-N	-1	0	489.549	5.388	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1	ZINC000408962488	570086446	/nfs/dbraw/zinc/08/64/46/570086446.db2.gz	SOEJJADEGKZNTE-GRSHGNNSSA-N	-1	0	471.296	5.353	40	0		JKABRM
O=C([O-])c1ccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)cc1	ZINC000408964168	570087022	/nfs/dbraw/zinc/08/70/22/570087022.db2.gz	RAHCBYPSEROTFQ-XGICHPGQSA-N	-1	0	452.702	5.904	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000408970777	570088744	/nfs/dbraw/zinc/08/87/44/570088744.db2.gz	KAIKGMWEOGEJBA-UHFFFAOYSA-N	-1	0	477.344	6.217	40	0		JKABRM
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c1C	ZINC000408982198	570091043	/nfs/dbraw/zinc/09/10/43/570091043.db2.gz	JAKQXBNOPYKXMK-UHFFFAOYSA-N	-1	0	491.594	5.594	40	0		JKABRM
O=c1[nH]c(-c2cc(Br)cc(Br)c2[O-])nc2sc3c(c21)CCCCCC3	ZINC000408993373	570094871	/nfs/dbraw/zinc/09/48/71/570094871.db2.gz	WIEGLIYQHBPHCZ-UHFFFAOYSA-N	-1	0	484.213	5.954	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	ZINC000408994600	570095179	/nfs/dbraw/zinc/09/51/79/570095179.db2.gz	GSBXBJIZSVDZMP-VSDWSMLSSA-N	-1	0	464.315	5.347	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002155	570096586	/nfs/dbraw/zinc/09/65/86/570096586.db2.gz	YIYTWJGHSPVQCP-IGBKUBFESA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2	ZINC000409002157	570096643	/nfs/dbraw/zinc/09/66/43/570096643.db2.gz	YIYTWJGHSPVQCP-QUFBTCJSSA-N	-1	0	481.979	7.088	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409004521	570097486	/nfs/dbraw/zinc/09/74/86/570097486.db2.gz	BJCBXYBWBIVUEI-JLPGSUDCSA-N	-1	0	489.549	5.251	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2)cc1	ZINC000409006379	570098154	/nfs/dbraw/zinc/09/81/54/570098154.db2.gz	JFLYLKXNRZAWOD-KQWNVCNZSA-N	-1	0	459.523	5.243	40	0		JKABRM
CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409017263	570101628	/nfs/dbraw/zinc/10/16/28/570101628.db2.gz	LUHCRXAJNLKZOC-VCHYOVAHSA-N	-1	0	476.348	5.171	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@@]1(C)CC3	ZINC000253530335	570102873	/nfs/dbraw/zinc/10/28/73/570102873.db2.gz	OBBXOFBLEKETGL-OMCMHSLRSA-N	-1	0	458.683	7.168	40	0	biogenic	JKABRM
COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409023335	570103600	/nfs/dbraw/zinc/10/36/00/570103600.db2.gz	KIMVPMDOTVACGH-VCHYOVAHSA-N	-1	0	461.923	5.071	40	0		JKABRM
CCC[C@H]1CC[C@H](c2ccc([C@@H]3CCCC[C@]3(C(=O)[O-])[C@H]3CC[C@H](CCC)CC3)cc2)CC1	ZINC000255003868	570106368	/nfs/dbraw/zinc/10/63/68/570106368.db2.gz	DEFWTKBSRYXQMS-GHUZHPRHSA-N	-1	0	452.723	9.096	40	0		JKABRM
O=C([O-])c1ccc2[nH]c(-c3cc(Br)ccc3OCc3ccccc3Cl)nc2c1	ZINC000256027984	570106757	/nfs/dbraw/zinc/10/67/57/570106757.db2.gz	MWMIFYDAEAIAEG-UHFFFAOYSA-N	-1	0	457.711	5.923	40	0		JKABRM
CC(C)[C@H](C)/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000256411148	570107095	/nfs/dbraw/zinc/10/70/95/570107095.db2.gz	DGRKFKQXESLUJC-RNTODCJNSA-N	-1	0	496.732	7.747	40	0		JKABRM
O=C([O-])c1cnc(N2CCCCC[C@@H]2c2ccccc2Br)nc1CCCc1ccccc1	ZINC000257201733	570108380	/nfs/dbraw/zinc/10/83/80/570108380.db2.gz	AIVAKFXYMFNMSQ-XMMPIXPASA-N	-1	0	494.433	6.234	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257204028	570108945	/nfs/dbraw/zinc/10/89/45/570108945.db2.gz	ASTAYUYEYXACPG-NDEPHWFRSA-N	-1	0	477.988	5.436	40	0		JKABRM
CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCc2cccc(Cl)c2)cc1-c1ccc(F)cc1	ZINC000257205545	570109400	/nfs/dbraw/zinc/10/94/00/570109400.db2.gz	AZPBSEPEKATUMR-UHFFFAOYSA-N	-1	0	492.978	7.016	40	0		JKABRM
C[C@@H](CNc1ncc(C(=O)[O-])c(COc2ccc3c(c2)CCCC3)n1)Oc1ccccc1Cl	ZINC000257206192	570109707	/nfs/dbraw/zinc/10/97/07/570109707.db2.gz	BCGMWNVUEVZAQS-INIZCTEOSA-N	-1	0	467.953	5.165	40	0		JKABRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CC[C@](C)(Cc1ccccc1)O2	ZINC000257207094	570109988	/nfs/dbraw/zinc/10/99/88/570109988.db2.gz	BGHSCEBUIGIWTP-RUZDIDTESA-N	-1	0	469.990	5.094	40	0		JKABRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CC[C@@](C)(Cc1ccccc1)O2	ZINC000257207095	570110012	/nfs/dbraw/zinc/11/00/12/570110012.db2.gz	BGHSCEBUIGIWTP-VWLOTQADSA-N	-1	0	469.990	5.094	40	0		JKABRM
CCCOc1cccc(-c2cc(-c3ccc(C(=O)[O-])cc3OCC)nn2CCc2ccccc2)c1	ZINC000257210137	570111068	/nfs/dbraw/zinc/11/10/68/570111068.db2.gz	BTIDFPPWLYWIFQ-UHFFFAOYSA-N	-1	0	470.569	6.346	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(Cl)c(C)cc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257210342	570111071	/nfs/dbraw/zinc/11/10/71/570111071.db2.gz	BUEYVOIIVKCXOX-XJUOHMSHSA-N	-1	0	466.361	5.253	40	0		JKABRM
CC(C)Oc1ccccc1CN(CC(=O)[O-])C(=O)[C@H]1CC[C@H](O)[C@@H](Nc2ccc(C(C)C)cc2)CC1	ZINC000257213128	570112011	/nfs/dbraw/zinc/11/20/11/570112011.db2.gz	CGGRCQARCXLARZ-RZFJZAQRSA-N	-1	0	496.648	5.042	40	0		JKABRM
CCn1cc(CCc2nc(N3CCC[C@H]3c3cccc(F)c3)ncc2C(=O)[O-])c2ccccc21	ZINC000257214201	570112337	/nfs/dbraw/zinc/11/23/37/570112337.db2.gz	CLAAOYNECXDIDF-DEOSSOPVSA-N	-1	0	458.537	5.415	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccccc3Cl)ccc2O1	ZINC000257217934	570113489	/nfs/dbraw/zinc/11/34/89/570113489.db2.gz	DBDURYHIEKVWRF-MHZLTWQESA-N	-1	0	498.406	5.586	40	0		JKABRM
COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409059802	570113517	/nfs/dbraw/zinc/11/35/17/570113517.db2.gz	OMYNKHRULSNFDB-UCQKPKSFSA-N	-1	0	491.521	5.222	40	0		JKABRM
COc1cc(Br)cc(-c2cc(-c3ccc(F)cc3)n(CC(C)C)n2)c1OCC(=O)[O-]	ZINC000257218174	570113554	/nfs/dbraw/zinc/11/35/54/570113554.db2.gz	DCDSDEFVSLSXJM-UHFFFAOYSA-N	-1	0	477.330	5.247	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257218865	570113691	/nfs/dbraw/zinc/11/36/91/570113691.db2.gz	DEQCWFIFVDOCPE-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257218864	570113728	/nfs/dbraw/zinc/11/37/28/570113728.db2.gz	DEQCWFIFVDOCPE-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
CC(C)Oc1cccc(CN(CC(=O)[O-])C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3cccc(C(C)C)c3)CC2)c1	ZINC000257222696	570114873	/nfs/dbraw/zinc/11/48/73/570114873.db2.gz	DUJVHPNOPNHZNT-ICTDUYRTSA-N	-1	0	496.648	5.042	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000409062437	570115069	/nfs/dbraw/zinc/11/50/69/570115069.db2.gz	UWEQPJOKYBFUEU-BKUYFWCQSA-N	-1	0	465.914	5.858	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(CC(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257225886	570115889	/nfs/dbraw/zinc/11/58/89/570115889.db2.gz	FIFTXZSZETZOAH-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
Cn1cc(CCCc2nc(N3CCCC[C@H]3CCc3ccccc3)ncc2C(=O)[O-])c2ccccc21	ZINC000257227868	570116427	/nfs/dbraw/zinc/11/64/27/570116427.db2.gz	FRHMMOOWYHPJMM-DEOSSOPVSA-N	-1	0	482.628	5.834	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257228545	570116595	/nfs/dbraw/zinc/11/65/95/570116595.db2.gz	FUFWNWRKHNGTRF-MUUNZHRXSA-N	-1	0	495.978	5.575	40	0		JKABRM
CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(O)c(OCC)c2)n(CCc2ccccc2)n1	ZINC000257231419	570117378	/nfs/dbraw/zinc/11/73/78/570117378.db2.gz	GGPGEQWAIQSWKC-UHFFFAOYSA-N	-1	0	486.568	6.051	40	0		JKABRM
Cc1cc(C)c(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)c1	ZINC000257244076	570121279	/nfs/dbraw/zinc/12/12/79/570121279.db2.gz	IJTBDIXXVUHJCK-UHFFFAOYSA-N	-1	0	467.352	6.593	40	0		JKABRM
CCCc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3Br)cc2)cc1	ZINC000257245707	570121752	/nfs/dbraw/zinc/12/17/52/570121752.db2.gz	IQRUWFIKKSYPHH-UHFFFAOYSA-N	-1	0	458.377	5.187	40	0		JKABRM
CCCc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(Br)cc3)cc2)cc1	ZINC000257250682	570123370	/nfs/dbraw/zinc/12/33/70/570123370.db2.gz	JNNMPGMGFJMJBP-UHFFFAOYSA-N	-1	0	458.377	5.187	40	0		JKABRM
O=C([O-])c1cnc(N2CCCCC[C@H]2c2ccccc2Br)nc1Cc1ccccc1	ZINC000257252499	570123812	/nfs/dbraw/zinc/12/38/12/570123812.db2.gz	JUZWXTJGTJATON-QFIPXVFZSA-N	-1	0	466.379	5.650	40	0		JKABRM
COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409091218	570124875	/nfs/dbraw/zinc/12/48/75/570124875.db2.gz	RRPDMVSXNUACJY-GRSHGNNSSA-N	-1	0	469.415	5.484	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(-c3ccccc3)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257263065	570127280	/nfs/dbraw/zinc/12/72/80/570127280.db2.gz	LOFQGZDVGNVWEA-REUBFRLUSA-N	-1	0	493.987	5.958	40	0		JKABRM
C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OCC3(CCN(C(=O)CCc4ccccc4F)CC3)C[C@H]21	ZINC000257264473	570127799	/nfs/dbraw/zinc/12/77/99/570127799.db2.gz	LUNMWUVLUJCDJN-WWEDSPNTSA-N	-1	0	495.591	5.161	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(Cl)c3)ccc2O1	ZINC000257264342	570127827	/nfs/dbraw/zinc/12/78/27/570127827.db2.gz	LTYZXUYSPFKAFC-SANMLTNESA-N	-1	0	485.914	5.282	40	0		JKABRM
COc1ccccc1-c1cc(-c2cc(C(C)C)ccc2OCC(=O)[O-])nn1Cc1ccccc1	ZINC000257266403	570128446	/nfs/dbraw/zinc/12/84/46/570128446.db2.gz	MCWRHKDOKOFELY-UHFFFAOYSA-N	-1	0	456.542	5.861	40	0		JKABRM
CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCCN(C(=O)c4cccc(F)c4C(=O)[O-])[C@H]3C[C@@H]21	ZINC000257267627	570128878	/nfs/dbraw/zinc/12/88/78/570128878.db2.gz	MICVAFPWGMVEQH-JXYHXMIBSA-N	-1	0	473.928	5.099	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc(/C=C3\Sc4ccccc4NC3=O)cc2Br)cc1	ZINC000409103402	570129209	/nfs/dbraw/zinc/12/92/09/570129209.db2.gz	BHKTWYYNBCPHJR-MTJSOVHGSA-N	-1	0	482.355	5.812	40	0		JKABRM
COc1ccccc1CN(Cc1c[nH]c2ccccc12)C(=O)COc1ccc(C(C)C)cc1C(=O)[O-]	ZINC000257269291	570129402	/nfs/dbraw/zinc/12/94/02/570129402.db2.gz	MPJDMUCLUAMPJT-UHFFFAOYSA-N	-1	0	486.568	5.606	40	0		JKABRM
COc1ccccc1-c1cc(-c2cc(Cl)ccc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257273094	570130595	/nfs/dbraw/zinc/13/05/95/570130595.db2.gz	NFFZOAMHVJZJGX-UHFFFAOYSA-N	-1	0	462.933	5.585	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1CCCc1ccccc1	ZINC000257273146	570130641	/nfs/dbraw/zinc/13/06/41/570130641.db2.gz	NFLJLLALAGYSGX-VWLOTQADSA-N	-1	0	462.977	5.515	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3ccc(F)cc3)ccc2O1	ZINC000257275448	570131177	/nfs/dbraw/zinc/13/11/77/570131177.db2.gz	NPLIGQTYYMYBPF-MUUNZHRXSA-N	-1	0	495.978	5.461	40	0		JKABRM
COc1ccccc1-c1cc(-c2ccc(C(C)(C)C)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257275078	570131194	/nfs/dbraw/zinc/13/11/94/570131194.db2.gz	NNUVBMRLTYRSQT-UHFFFAOYSA-N	-1	0	484.596	6.229	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Br)cc2)nc1COc1ccccc1Cl	ZINC000257275455	570131362	/nfs/dbraw/zinc/13/13/62/570131362.db2.gz	NPMFOWNWBBJKFB-LJQANCHMSA-N	-1	0	488.769	5.511	40	0		JKABRM
Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)COc3c(F)cccc3C(=O)[O-])c(=O)[nH]c2c1	ZINC000257277559	570131935	/nfs/dbraw/zinc/13/19/35/570131935.db2.gz	NYKPLXKADLGOOQ-UHFFFAOYSA-N	-1	0	488.515	5.002	40	0		JKABRM
COc1ccc(-c2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3Cl)c3ccccc3n2)cc1	ZINC000257278703	570132322	/nfs/dbraw/zinc/13/23/22/570132322.db2.gz	ODHMSJQUDVULMP-UHFFFAOYSA-N	-1	0	460.917	5.291	40	0		JKABRM
COc1ccccc1-c1cc(-c2c(C)cc(C(C)C)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257279006	570132487	/nfs/dbraw/zinc/13/24/87/570132487.db2.gz	OEODJYOLZHRTSI-UHFFFAOYSA-N	-1	0	484.596	6.364	40	0		JKABRM
CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)c4ccccc4-c4ccccc4C(=O)[O-])[C@H]3C[C@H]21	ZINC000257279644	570132609	/nfs/dbraw/zinc/13/26/09/570132609.db2.gz	OHNWNKZKLNGHJO-PTJMHOJZSA-N	-1	0	483.564	5.584	40	0		JKABRM
COc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c(OCC(=O)[O-])c1	ZINC000257279749	570132746	/nfs/dbraw/zinc/13/27/46/570132746.db2.gz	OIAHVWDKGVHEJO-UHFFFAOYSA-N	-1	0	452.869	5.471	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Br)cc2)nc1CCc1ccccc1	ZINC000257280788	570132892	/nfs/dbraw/zinc/13/28/92/570132892.db2.gz	OMLPCDKNCLAJTG-NRFANRHFSA-N	-1	0	452.352	5.064	40	0		JKABRM
CC(C)CN1C(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)c2ccccc21	ZINC000409112946	570132939	/nfs/dbraw/zinc/13/29/39/570132939.db2.gz	MOXAWUWUNQQTSK-AUWJEWJLSA-N	-1	0	451.158	5.460	40	0		JKABRM
COc1ccccc1-c1cc(-c2cc(Cl)c(C)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257282818	570133555	/nfs/dbraw/zinc/13/35/55/570133555.db2.gz	OVKIVRXZUBJVPM-UHFFFAOYSA-N	-1	0	476.960	5.894	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CC(C)C)n1	ZINC000257282826	570133566	/nfs/dbraw/zinc/13/35/66/570133566.db2.gz	OVLJJNYXTMVWBW-UHFFFAOYSA-N	-1	0	466.578	5.696	40	0		JKABRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CC[C@](C)(Cc2ccccc2)O3)cc1	ZINC000257287153	570134787	/nfs/dbraw/zinc/13/47/87/570134787.db2.gz	POTDPWAURLQIEV-MUUNZHRXSA-N	-1	0	477.626	5.429	40	0		JKABRM
CC(C)c1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)c(C(=O)[O-])c1	ZINC000257288168	570135007	/nfs/dbraw/zinc/13/50/07/570135007.db2.gz	PTDOAXRWAGHIKE-LJQANCHMSA-N	-1	0	465.977	6.330	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000257289658	570135434	/nfs/dbraw/zinc/13/54/34/570135434.db2.gz	PZQRWCJHQBZPAY-UHFFFAOYSA-N	-1	0	481.379	6.929	40	0		JKABRM
CC(C)Cc1nc(COc2ccc(Cc3ccccc3)cc2)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257291293	570135851	/nfs/dbraw/zinc/13/58/51/570135851.db2.gz	QGJLCQXIIKAOHW-UHFFFAOYSA-N	-1	0	469.556	6.954	40	0		JKABRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)c1	ZINC000257295442	570137058	/nfs/dbraw/zinc/13/70/58/570137058.db2.gz	QYHHSJHURAONBZ-QGZVFWFLSA-N	-1	0	453.922	5.216	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)ccc2O1	ZINC000257296029	570137152	/nfs/dbraw/zinc/13/71/52/570137152.db2.gz	RAWZMENULVAPJE-NDEPHWFRSA-N	-1	0	495.978	5.575	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)ccc2O1	ZINC000257296028	570137227	/nfs/dbraw/zinc/13/72/27/570137227.db2.gz	RAWZMENULVAPJE-MUUNZHRXSA-N	-1	0	495.978	5.575	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)C1=O	ZINC000409124846	570137454	/nfs/dbraw/zinc/13/74/54/570137454.db2.gz	DAIKLQUCYBMABM-KEBDBYFISA-N	-1	0	488.348	5.847	40	0		JKABRM
COc1ccc(CCc2nc(N3CCC[C@@H]3c3cccc(Br)c3)ncc2C(=O)[O-])cc1	ZINC000257299511	570138144	/nfs/dbraw/zinc/13/81/44/570138144.db2.gz	RQJYEUYWIUMQIY-JOCHJYFZSA-N	-1	0	482.378	5.073	40	0		JKABRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1	ZINC000257299080	570138269	/nfs/dbraw/zinc/13/82/69/570138269.db2.gz	RORHRZZGDSZXHU-UHFFFAOYSA-N	-1	0	457.979	5.335	40	0		JKABRM
CCOc1ccc(CN(Cc2ccccc2)C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])cc1	ZINC000257301613	570138902	/nfs/dbraw/zinc/13/89/02/570138902.db2.gz	RZDBHEDRUGWIHN-UHFFFAOYSA-N	-1	0	461.558	5.515	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(C)C)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257303257	570139297	/nfs/dbraw/zinc/13/92/97/570139297.db2.gz	SGKFSQQLMIRFRN-JBRSBNLGSA-N	-1	0	459.970	5.414	40	0		JKABRM
O=C([O-])COc1cc(F)c(F)cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257303401	570139366	/nfs/dbraw/zinc/13/93/66/570139366.db2.gz	SHBKHHWIFQLDQJ-UHFFFAOYSA-N	-1	0	468.887	5.855	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(C)C)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257303725	570139477	/nfs/dbraw/zinc/13/94/77/570139477.db2.gz	SILMMCIOPQMXEN-JBRSBNLGSA-N	-1	0	459.970	5.414	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(C)C)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257303724	570139514	/nfs/dbraw/zinc/13/95/14/570139514.db2.gz	SILMMCIOPQMXEN-ARNLJNQMSA-N	-1	0	459.970	5.414	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O	ZINC000409130402	570139940	/nfs/dbraw/zinc/13/99/40/570139940.db2.gz	HRROPFVHYJYMAM-VXLYETTFSA-N	-1	0	488.348	5.847	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)CCc2ccc3c(c2)C[C@](C)(Cc2ccc(Cl)cc2)O3)cc1	ZINC000257305611	570139957	/nfs/dbraw/zinc/13/99/57/570139957.db2.gz	SQTJZPIQRWNKEU-LJAQVGFWSA-N	-1	0	492.015	5.631	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O	ZINC000409130802	570139975	/nfs/dbraw/zinc/13/99/75/570139975.db2.gz	WKUUMBYIGNVZIQ-VIZOYTHASA-N	-1	0	472.733	5.347	40	0		JKABRM
COc1cc(CCc2nc(N3CCC[C@H]3c3ccc(Br)cc3)ncc2C(=O)[O-])ccc1C	ZINC000257311476	570141833	/nfs/dbraw/zinc/14/18/33/570141833.db2.gz	UJQCPORPAPJKKL-QFIPXVFZSA-N	-1	0	496.405	5.381	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)C1=O	ZINC000409136178	570142354	/nfs/dbraw/zinc/14/23/54/570142354.db2.gz	UBFTVLQLLMYOIA-RGVLZGJSSA-N	-1	0	498.354	5.302	40	0		JKABRM
COc1cc(CCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc(OC)c1OC	ZINC000257317045	570143626	/nfs/dbraw/zinc/14/36/26/570143626.db2.gz	VIDLFPPTUABSTG-UHFFFAOYSA-N	-1	0	467.537	5.595	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c3ccccc32)c1	ZINC000409139440	570143881	/nfs/dbraw/zinc/14/38/81/570143881.db2.gz	AJWDXAPYRBDPJQ-YZSQISJMSA-N	-1	0	496.588	6.057	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1	ZINC000409140107	570144165	/nfs/dbraw/zinc/14/41/65/570144165.db2.gz	PXKGLCYJBTYOLL-JJIBRWJFSA-N	-1	0	473.550	5.633	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@](C)(Cc2ccc(Cl)c(F)c2)O3)c1	ZINC000257320180	570144486	/nfs/dbraw/zinc/14/44/86/570144486.db2.gz	VVQSNBOPKDOFCH-NDEPHWFRSA-N	-1	0	495.978	5.493	40	0		JKABRM
O=C([O-])CN(Cc1ccc(Br)cc1F)C(=O)c1cccc(OCc2ccc(F)cc2)c1	ZINC000257321624	570144906	/nfs/dbraw/zinc/14/49/06/570144906.db2.gz	WCKNQKSZCPJDKZ-UHFFFAOYSA-N	-1	0	490.300	5.033	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2cccc(F)c2)cc2c1O[C@](C)(Cc1ccc(Cl)cc1)C2	ZINC000257322324	570145176	/nfs/dbraw/zinc/14/51/76/570145176.db2.gz	WFMQUXSLODFIPY-HHHXNRCGSA-N	-1	0	497.950	5.151	40	0		JKABRM
O=C([O-])COc1ccc(Cl)cc1-c1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000257322436	570145274	/nfs/dbraw/zinc/14/52/74/570145274.db2.gz	WFZBURNZKNQPGK-UHFFFAOYSA-N	-1	0	457.288	6.116	40	0		JKABRM
CC(C)Cn1nc(-c2cc(CC(=O)[O-])ccc2OCc2cccc(Cl)c2)cc1-c1ccc(F)cc1	ZINC000257322808	570145436	/nfs/dbraw/zinc/14/54/36/570145436.db2.gz	WHLZZDQOXMLUNJ-UHFFFAOYSA-N	-1	0	492.978	6.872	40	0		JKABRM
Cc1nc2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)ccc2n1Cc1ccccc1	ZINC000257325412	570146064	/nfs/dbraw/zinc/14/60/64/570146064.db2.gz	WSVBMJLELZZPHY-UHFFFAOYSA-N	-1	0	475.976	5.206	40	0		JKABRM
O=C1S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N1CCCc1ccccc1	ZINC000409144858	570146369	/nfs/dbraw/zinc/14/63/69/570146369.db2.gz	QGAWKYHEVSWCTM-LFIBNONCSA-N	-1	0	452.757	5.477	40	0		JKABRM
O=C([O-])c1cccc(Cl)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1F	ZINC000257328385	570147109	/nfs/dbraw/zinc/14/71/09/570147109.db2.gz	XFJNNAITMPGEBE-UHFFFAOYSA-N	-1	0	480.923	5.309	40	0		JKABRM
CCOc1ccc(CN(Cc2ccccc2)C(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000257328429	570147117	/nfs/dbraw/zinc/14/71/17/570147117.db2.gz	XFPHEMSHDGAGSU-UHFFFAOYSA-N	-1	0	453.922	5.045	40	0		JKABRM
C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN3C(=O)c3cnc4ccccc4c3)C[C@H]21	ZINC000257329042	570147248	/nfs/dbraw/zinc/14/72/48/570147248.db2.gz	XIDCZHOVIYJPOY-ACVDBWASSA-N	-1	0	486.568	5.003	40	0		JKABRM
COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C(=O)[O-])[C@@H](C)c2ccccc2)cc1OC	ZINC000257329806	570147478	/nfs/dbraw/zinc/14/74/78/570147478.db2.gz	XLPUPYSNZGVHIY-KRWDZBQOSA-N	-1	0	483.948	5.224	40	0		JKABRM
COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C(=O)[O-])[C@H](C)c2ccccc2)cc1OC	ZINC000257329807	570147480	/nfs/dbraw/zinc/14/74/80/570147480.db2.gz	XLPUPYSNZGVHIY-QGZVFWFLSA-N	-1	0	483.948	5.224	40	0		JKABRM
O=C([O-])c1sc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1CCc1ccc(F)cc1	ZINC000257331243	570148039	/nfs/dbraw/zinc/14/80/39/570148039.db2.gz	XRYLUTOTMMTCHF-OAQYLSRUSA-N	-1	0	452.551	5.062	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)nc1COc1ccccc1Cl	ZINC000257336925	570149482	/nfs/dbraw/zinc/14/94/82/570149482.db2.gz	YQPBTQWQWFMRCP-OAQYLSRUSA-N	-1	0	471.340	5.643	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257339820	570150435	/nfs/dbraw/zinc/15/04/35/570150435.db2.gz	ZDJCKVWZHIKZDK-XMMPIXPASA-N	-1	0	482.939	5.100	40	0		JKABRM
O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1ccc(Cl)cc1	ZINC000409156076	570150579	/nfs/dbraw/zinc/15/05/79/570150579.db2.gz	KJRBPFUYEUGCIF-AUWJEWJLSA-N	-1	0	457.722	5.027	40	0		JKABRM
C[C@]1(C2CCN(C(=O)c3ccccc3-c3ccccc3C(=O)[O-])CC2)CN(Cc2ccccc2)C(=O)O1	ZINC000257341353	570150730	/nfs/dbraw/zinc/15/07/30/570150730.db2.gz	ZJYZVEVGGZBDMY-SSEXGKCCSA-N	-1	0	498.579	5.315	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3	ZINC000257490155	570153947	/nfs/dbraw/zinc/15/39/47/570153947.db2.gz	NBSBUIQBEPROBM-VOOBWTCMSA-N	-1	0	456.711	7.544	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000257394918	570153960	/nfs/dbraw/zinc/15/39/60/570153960.db2.gz	CGPBVNAIDFBRJG-RDNRSLHMSA-N	-1	0	456.711	7.400	40	0	endogenous,in-man	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]43C)[C@@H]2C1	ZINC000257511559	570153978	/nfs/dbraw/zinc/15/39/78/570153978.db2.gz	PGOYMURMZNDHNS-IZXICSRPSA-N	-1	0	472.710	6.206	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3OCc3ccc(C(=O)[O-])cc3)N21	ZINC000260753045	570156550	/nfs/dbraw/zinc/15/65/50/570156550.db2.gz	BAAYCKPHQVCBPA-FOVJLYNBSA-N	-1	0	459.571	5.338	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccc(C)cc2)cc1	ZINC000409177768	570157710	/nfs/dbraw/zinc/15/77/10/570157710.db2.gz	CUWVXVUQWKHDHR-UHFFFAOYSA-N	-1	0	470.616	5.234	40	0		JKABRM
CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1	ZINC000409178025	570157823	/nfs/dbraw/zinc/15/78/23/570157823.db2.gz	IGEYRCHDVBYMJM-XKZIYDEJSA-N	-1	0	490.537	5.191	40	0		JKABRM
Cc1nnc(SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])[nH]1	ZINC000409191768	570162100	/nfs/dbraw/zinc/16/21/00/570162100.db2.gz	MULIOOGSWBQESF-OCKHKDLRSA-N	-1	0	459.358	5.641	40	0		JKABRM
Cc1nnc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])[nH]1	ZINC000409192425	570162370	/nfs/dbraw/zinc/16/23/70/570162370.db2.gz	XJJQRQYEYXFQHR-MFOYZWKCSA-N	-1	0	480.771	5.326	40	0		JKABRM
CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000409193812	570162829	/nfs/dbraw/zinc/16/28/29/570162829.db2.gz	MTQGGHBYBLTWCH-OCKHKDLRSA-N	-1	0	480.373	5.615	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc1Cl	ZINC000409226106	570175948	/nfs/dbraw/zinc/17/59/48/570175948.db2.gz	OUWOMYXYEMXISH-JAIQZWGSSA-N	-1	0	467.886	5.217	40	0		JKABRM
O=C1S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1	ZINC000409243534	570183096	/nfs/dbraw/zinc/18/30/96/570183096.db2.gz	SDQHSWBLZGUFJA-VGOFMYFVSA-N	-1	0	459.148	5.698	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)c(Cl)c1Cl	ZINC000409261140	570187564	/nfs/dbraw/zinc/18/75/64/570187564.db2.gz	AKLFFUACMABHEZ-UHFFFAOYSA-N	-1	0	458.750	6.249	40	0		JKABRM
CCOc1cc(COc2ccc(Br)cc2C(=O)[O-])ccc1OCc1ccccc1	ZINC000408540563	570191493	/nfs/dbraw/zinc/19/14/93/570191493.db2.gz	UAHSBOQNPPDTLP-UHFFFAOYSA-N	-1	0	457.320	5.704	40	0		JKABRM
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408545276	570192783	/nfs/dbraw/zinc/19/27/83/570192783.db2.gz	JUSAPWQXBTXFFJ-UHFFFAOYSA-N	-1	0	489.302	6.065	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000408545686	570192912	/nfs/dbraw/zinc/19/29/12/570192912.db2.gz	MIPNXYFCLDGWGC-UHFFFAOYSA-N	-1	0	471.022	6.135	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2Cl)cc1C	ZINC000408546053	570193247	/nfs/dbraw/zinc/19/32/47/570193247.db2.gz	PVJNGYDGCIHLMG-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408546263	570193332	/nfs/dbraw/zinc/19/33/32/570193332.db2.gz	DFHVYLQWWNLQFF-UHFFFAOYSA-N	-1	0	458.539	5.319	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c(C)c1	ZINC000408546312	570193401	/nfs/dbraw/zinc/19/34/01/570193401.db2.gz	DTHMWVQSWNQKQW-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408546787	570193549	/nfs/dbraw/zinc/19/35/49/570193549.db2.gz	GKWRPKJOXWPOJF-UHFFFAOYSA-N	-1	0	478.957	6.185	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)c1	ZINC000408547367	570193696	/nfs/dbraw/zinc/19/36/96/570193696.db2.gz	IWKYIJQATOPWLY-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)cc1C	ZINC000408547575	570193841	/nfs/dbraw/zinc/19/38/41/570193841.db2.gz	ZWNLTSCYNLPYES-UHFFFAOYSA-N	-1	0	497.831	5.994	40	0		JKABRM
CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000408547862	570193907	/nfs/dbraw/zinc/19/39/07/570193907.db2.gz	NYWOYPRFDOUKQD-UHFFFAOYSA-N	-1	0	456.951	5.213	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000408547871	570193912	/nfs/dbraw/zinc/19/39/12/570193912.db2.gz	ODJFJEVEUFMIDY-UHFFFAOYSA-N	-1	0	471.022	6.135	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2Cl)c1	ZINC000408548219	570194139	/nfs/dbraw/zinc/19/41/39/570194139.db2.gz	QOXYWOJCYDXZDR-UHFFFAOYSA-N	-1	0	467.349	5.802	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1cccc(Cl)c1	ZINC000408553978	570196109	/nfs/dbraw/zinc/19/61/09/570196109.db2.gz	APCUWRVSXCMLSC-UHFFFAOYSA-N	-1	0	484.883	5.421	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408557373	570198128	/nfs/dbraw/zinc/19/81/28/570198128.db2.gz	GUOYUDUCTQJEQE-UHFFFAOYSA-N	-1	0	495.384	5.454	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1	ZINC000408557970	570198596	/nfs/dbraw/zinc/19/85/96/570198596.db2.gz	PFTXJKYOYSDQEZ-UHFFFAOYSA-N	-1	0	481.357	5.064	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)NC1CCCCC1	ZINC000408559191	570199558	/nfs/dbraw/zinc/19/95/58/570199558.db2.gz	VXVJICZUJLDMKU-UHFFFAOYSA-N	-1	0	499.032	6.304	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1cccc(Br)c1	ZINC000408561591	570201176	/nfs/dbraw/zinc/20/11/76/570201176.db2.gz	KCUOCFRYCJZRSG-UHFFFAOYSA-N	-1	0	492.167	5.081	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1NC(=O)c1cccc(Cl)c1	ZINC000408562006	570201516	/nfs/dbraw/zinc/20/15/16/570201516.db2.gz	WWIWRMKKPVMBKW-UHFFFAOYSA-N	-1	0	474.966	5.109	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1ccccc1C	ZINC000408562408	570201774	/nfs/dbraw/zinc/20/17/74/570201774.db2.gz	ZPKDGQSLTSBBFS-UHFFFAOYSA-N	-1	0	464.465	5.076	40	0		JKABRM
CC(=O)N(Cc1ccccc1OCc1ccccc1Cl)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408564711	570202715	/nfs/dbraw/zinc/20/27/15/570202715.db2.gz	FBNIVAIKAHHGBY-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2Cl)cc1	ZINC000408579949	570206522	/nfs/dbraw/zinc/20/65/22/570206522.db2.gz	LVZXRFLAVAEQGS-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1OCC	ZINC000408585302	570207887	/nfs/dbraw/zinc/20/78/87/570207887.db2.gz	CWXRJJZPOCIAMP-UHFFFAOYSA-N	-1	0	490.965	5.900	40	0		JKABRM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1OC	ZINC000408585730	570208037	/nfs/dbraw/zinc/20/80/37/570208037.db2.gz	IUKKZLZONDFHFW-UHFFFAOYSA-N	-1	0	476.938	5.510	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)NC1CCCCC1	ZINC000408592892	570209616	/nfs/dbraw/zinc/20/96/16/570209616.db2.gz	MFLAMAQBKCKIIS-UHFFFAOYSA-N	-1	0	474.932	5.531	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3	ZINC000045245146	290691725	/nfs/dbraw/zinc/69/17/25/290691725.db2.gz	XLPAINGDLCDYQV-DXXDIINSSA-N	-1	0	454.695	7.752	40	0	biogenic,in-vitro	JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000253589442	291536074	/nfs/dbraw/zinc/53/60/74/291536074.db2.gz	FIWGZIBLJWZUEA-VQQDFOSNSA-N	-1	0	498.748	8.115	40	0	biogenic,in-vitro	JKABRM
CC(=O)O[C@H](C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)/C(C)=C/Cc1c([O-])c(Cl)c(C)c(C=O)c1O	ZINC000013432984	291558201	/nfs/dbraw/zinc/55/82/01/291558201.db2.gz	JIHNIFVHUVCKQA-UNLBHNSFSA-N	-1	0	464.986	5.324	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O	ZINC000031440816	291594186	/nfs/dbraw/zinc/59/41/86/291594186.db2.gz	ZZTYPLSBNNGEIS-WSDDLPNQSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000014980292	291595205	/nfs/dbraw/zinc/59/52/05/291595205.db2.gz	HFGSQOYIOKBQOW-BCWNICLQSA-N	-1	0	472.710	6.060	40	0	biogenic,in-vitro	JKABRM
Cc1cccc(C)c1NC(=O)C([O-])=C(c1ccccc1Cl)S(=O)(=O)Cc1ccccc1Cl	ZINC000001636168	194130131	/nfs/dbraw/zinc/13/01/31/194130131.db2.gz	MFERXJLGXFFSND-HSZRJFAPSA-N	-1	0	490.408	5.474	40	0		JKABRM
CC1(C)O[C@](C)(C(O)(c2cccc3ccccc32)c2cccc3ccccc32)CC[C@H]1C(=O)[O-]	ZINC000003845839	194364333	/nfs/dbraw/zinc/36/43/33/194364333.db2.gz	IQKVYIVECRLDDW-WNJJXGMVSA-N	-1	0	454.566	6.277	40	0		JKABRM
CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@@H]2C(=O)C(=O)[O-])C(=O)C1	ZINC000003850223	194364614	/nfs/dbraw/zinc/36/46/14/194364614.db2.gz	FTPHYMQNLZPNKG-BHWUQWKGSA-N	-1	0	490.681	5.852	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1	ZINC000003864155	194364929	/nfs/dbraw/zinc/36/49/29/194364929.db2.gz	KLURAKFRZWRWTE-UMGGQSCQSA-N	-1	0	455.576	5.202	40	0		JKABRM
CC/C(=C/C=C/[C@@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@H](C)C(=O)[O-])CC[C@@H]1C	ZINC000004016152	194369805	/nfs/dbraw/zinc/36/98/05/194369805.db2.gz	HSZFOQSMGNAIJM-WWWZHNQSSA-N	-1	0	465.634	6.213	40	0		JKABRM
Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]24C=C(C(C)C)[C@H]3C[C@@H]2[C@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)c1	ZINC000009234460	194620536	/nfs/dbraw/zinc/62/05/36/194620536.db2.gz	MRRXYEYSIFOGFP-KLIFUALLSA-N	-1	0	489.656	6.010	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1	ZINC000020766513	195222152	/nfs/dbraw/zinc/22/21/52/195222152.db2.gz	SBAJHSBKSNIVMM-UHFFFAOYSA-N	-1	0	491.396	5.396	40	0		JKABRM
CCOc1cc(CNc2cc(C(=O)[O-])ccc2OC)cc(Br)c1OCc1ccccc1	ZINC000020880592	195236345	/nfs/dbraw/zinc/23/63/45/195236345.db2.gz	HGTWNTBLNCNCCM-UHFFFAOYSA-N	-1	0	486.362	5.746	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1	ZINC000058961900	195386589	/nfs/dbraw/zinc/38/65/89/195386589.db2.gz	DVMOLEQRWKEQFI-UHFFFAOYSA-N	-1	0	481.530	5.117	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1	ZINC000059417542	195399609	/nfs/dbraw/zinc/39/96/09/195399609.db2.gz	OOFLBRLHWHCZSL-UHFFFAOYSA-N	-1	0	489.405	6.846	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634884	195482216	/nfs/dbraw/zinc/48/22/16/195482216.db2.gz	XPEKUOMGCPTRKQ-ZHZULCJRSA-N	-1	0	498.029	6.889	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)c1	ZINC000408635079	195483321	/nfs/dbraw/zinc/48/33/21/195483321.db2.gz	YOXRPOAHQBBLOA-NDENLUEZSA-N	-1	0	484.917	5.885	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1Cl	ZINC000408635129	195483390	/nfs/dbraw/zinc/48/33/90/195483390.db2.gz	ZDHDWSYYDMRPFO-MFOYZWKCSA-N	-1	0	467.330	5.669	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(Sc2nc3ccccc3s2)o1)Sc1nc2ccccc2[nH]1	ZINC000408635174	195483595	/nfs/dbraw/zinc/48/35/95/195483595.db2.gz	XOPKTOKROQFBKR-BOPFTXTBSA-N	-1	0	451.554	6.135	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1	ZINC000409232467	195510110	/nfs/dbraw/zinc/51/01/10/195510110.db2.gz	IESHVHFDJYXWJV-RGVLZGJSSA-N	-1	0	496.928	5.282	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000045262037	520413069	/nfs/dbraw/zinc/41/30/69/520413069.db2.gz	RZAKJRHDNDQBMI-VNNAKPRGSA-N	-1	0	478.721	7.310	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000045789090	520414481	/nfs/dbraw/zinc/41/44/81/520414481.db2.gz	MDZKJHQSJHYOHJ-NHIMBASXSA-N	-1	0	472.710	6.204	40	0	in-vitro	JKABRM
CC1(C)[C@@H]2CC[C@@]3(C)[C@H](CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]43C)[C@]2(C)CC[C@@H]1O	ZINC000036265368	520641622	/nfs/dbraw/zinc/64/16/22/520641622.db2.gz	JZFSMVXQUWRSIW-JAQPGKATSA-N	-1	0	456.711	7.234	40	0		JKABRM
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]43C)[C@]2(C)CC[C@@H]1O	ZINC000036265365	520641864	/nfs/dbraw/zinc/64/18/64/520641864.db2.gz	JZFSMVXQUWRSIW-ZVSMIFNMSA-N	-1	0	456.711	7.234	40	0		JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000044902263	521222525	/nfs/dbraw/zinc/22/25/25/521222525.db2.gz	XNNSAIZKEJPCKG-QGZVFWFLSA-N	-1	0	472.994	5.339	40	0		JKABRM
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1	ZINC000020293967	521767585	/nfs/dbraw/zinc/76/75/85/521767585.db2.gz	RCNNOBSFNMPDLB-GJJHYRHESA-N	-1	0	469.603	5.493	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000020494563	521777674	/nfs/dbraw/zinc/77/76/74/521777674.db2.gz	UHDAHLGZGRDMPP-UHFFFAOYSA-N	-1	0	461.008	5.814	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccc(OC)cc1	ZINC000020491965	522533610	/nfs/dbraw/zinc/53/36/10/522533610.db2.gz	UFBHYIANDDLVFS-QFIPXVFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)cc1	ZINC000020457220	522535100	/nfs/dbraw/zinc/53/51/00/522535100.db2.gz	SPBDFDHKCAEJNN-QFIPXVFZSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(C)cc1	ZINC000020495160	522785709	/nfs/dbraw/zinc/78/57/09/522785709.db2.gz	ZEZZOUMUVSQZCR-JOCHJYFZSA-N	-1	0	456.995	5.639	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1	ZINC000020461515	523844250	/nfs/dbraw/zinc/84/42/50/523844250.db2.gz	LTWYWAODRITMDB-FQEVSTJZSA-N	-1	0	482.602	5.136	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1	ZINC000022522566	523844612	/nfs/dbraw/zinc/84/46/12/523844612.db2.gz	YYZGRJHOCGXQSG-IBGZPJMESA-N	-1	0	482.602	5.334	40	0		JKABRM
Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000022739140	524188355	/nfs/dbraw/zinc/18/83/55/524188355.db2.gz	YWKAGDNZFDCKAW-UHFFFAOYSA-N	-1	0	482.359	5.398	40	0		JKABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)n1	ZINC000044884199	524591022	/nfs/dbraw/zinc/59/10/22/524591022.db2.gz	HSZZZODBTKYBMF-UHFFFAOYSA-N	-1	0	472.526	5.046	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O	ZINC000043552893	524714340	/nfs/dbraw/zinc/71/43/40/524714340.db2.gz	OXVUXGFZHDKYLS-FCJBTFDVSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000042875583	524715828	/nfs/dbraw/zinc/71/58/28/524715828.db2.gz	JPGOJQJBPLCRQP-HUVCIBQSSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C[C@H]1[C@H](C(=O)[O-])C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000038843575	525098886	/nfs/dbraw/zinc/09/88/86/525098886.db2.gz	QGMNTKNSMLYTKS-MZFHTQBRSA-N	-1	0	470.694	6.269	40	0	biogenic,in-vitro	JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)c(C)c1	ZINC000044847963	525295252	/nfs/dbraw/zinc/29/52/52/525295252.db2.gz	HRPLNPAWBJBHQW-QHCPKHFHSA-N	-1	0	469.006	5.565	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)c(C)c1	ZINC000020490609	525295555	/nfs/dbraw/zinc/29/55/55/525295555.db2.gz	UOGHNXSDZOQGQZ-INIZCTEOSA-N	-1	0	460.958	5.388	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)cc1C	ZINC000020495029	525297402	/nfs/dbraw/zinc/29/74/02/525297402.db2.gz	WBJPRDOKGICEBW-HSZRJFAPSA-N	-1	0	469.006	5.565	40	0		JKABRM
Cc1ccccc1[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1	ZINC000044885645	525372866	/nfs/dbraw/zinc/37/28/66/525372866.db2.gz	GYIXHBIZXIGVRJ-SANMLTNESA-N	-1	0	491.012	5.969	40	0		JKABRM
Cc1ccccc1[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000020458446	525428590	/nfs/dbraw/zinc/42/85/90/525428590.db2.gz	FGIUTMPSFWRLGU-AREMUKBSSA-N	-1	0	456.567	5.315	40	0		JKABRM
COc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1	ZINC000095532161	525666328	/nfs/dbraw/zinc/66/63/28/525666328.db2.gz	PMXSOCRINXVPJJ-QFIPXVFZSA-N	-1	0	465.937	5.138	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000022528168	525911073	/nfs/dbraw/zinc/91/10/73/525911073.db2.gz	OIRKACYUUUWUHU-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000020484600	526324079	/nfs/dbraw/zinc/32/40/79/526324079.db2.gz	RGMNHEJPHKWZSM-UHFFFAOYSA-N	-1	0	457.555	5.043	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1	ZINC000022572809	526370458	/nfs/dbraw/zinc/37/04/58/526370458.db2.gz	JIULBCWGRUHUMW-UHFFFAOYSA-N	-1	0	463.740	5.081	40	0		JKABRM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000020452668	526426331	/nfs/dbraw/zinc/42/63/31/526426331.db2.gz	YLRAKWIOGIPKFA-UHFFFAOYSA-N	-1	0	472.566	5.252	40	0		JKABRM
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000020461828	527023525	/nfs/dbraw/zinc/02/35/25/527023525.db2.gz	KJQMSIURSCFNPW-UHFFFAOYSA-N	-1	0	482.414	5.061	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccccc1SCc1ccccc1	ZINC000022528654	527255803	/nfs/dbraw/zinc/25/58/03/527255803.db2.gz	USINOWWARVDZJU-UHFFFAOYSA-N	-1	0	475.595	5.427	40	0		JKABRM
O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c1)C2=O	ZINC000000675750	553749560	/nfs/dbraw/zinc/74/95/60/553749560.db2.gz	HUYRRXSBGLPTSS-UHFFFAOYSA-N	-1	0	492.487	5.017	40	0		JKABRM
O=C([O-])c1cccc(Oc2ccc(Oc3ccc4c(c3)C(=O)N(c3nccs3)C4=O)cc2)c1	ZINC000000853026	553798845	/nfs/dbraw/zinc/79/88/45/553798845.db2.gz	WJDLQTZBZJFJIK-UHFFFAOYSA-N	-1	0	458.451	5.227	40	0		JKABRM
O=C(Nc1ccc(F)cc1)c1ccc(OC(=S)[N-]c2ccc(I)cc2)cc1	ZINC000001444700	553973017	/nfs/dbraw/zinc/97/30/17/553973017.db2.gz	XENKUXXAIVFYHC-UHFFFAOYSA-N	-1	0	492.313	5.458	40	0		JKABRM
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1c(Cl)c(Cl)c([O-])c(Cl)c1Cl	ZINC000001689473	553982916	/nfs/dbraw/zinc/98/29/16/553982916.db2.gz	OKZNIFWRYLZALL-UHFFFAOYSA-N	-1	0	480.067	7.651	40	0		JKABRM
Cc1[nH]c2ccccc2c1[C@@H](Cc1ccccc1NC(=O)CCC(=O)[O-])c1c[nH]c2ccccc21	ZINC000001708983	553984238	/nfs/dbraw/zinc/98/42/38/553984238.db2.gz	MJNHFWJRPPXMQW-QFIPXVFZSA-N	-1	0	465.553	6.136	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3c(Cl)ccc(Cl)c3c(=O)o2)cc1	ZINC000001754817	553985741	/nfs/dbraw/zinc/98/57/41/553985741.db2.gz	SAHSCPACNWVWHJ-UHFFFAOYSA-N	-1	0	461.326	5.271	40	0		JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C	ZINC000002117641	554053921	/nfs/dbraw/zinc/05/39/21/554053921.db2.gz	WCGUUGGRBIKTOS-FKVIQSHBSA-N	-1	0	456.711	7.090	40	0	biogenic	JKABRM
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746351	554324327	/nfs/dbraw/zinc/32/43/27/554324327.db2.gz	GNTYJCRIYAKPDC-SANMLTNESA-N	-1	0	451.526	5.957	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746352	554324452	/nfs/dbraw/zinc/32/44/52/554324452.db2.gz	GNTYJCRIYAKPDC-AREMUKBSSA-N	-1	0	451.526	5.957	40	0		JKABRM
O=C([O-])c1cc(-c2ccc(-c3cc(C(F)(F)F)ccc3Cl)s2)nc2ccc(Cl)cc21	ZINC000003434828	554463609	/nfs/dbraw/zinc/46/36/09/554463609.db2.gz	APOIOHNTSFXPSH-UHFFFAOYSA-N	-1	0	468.283	7.654	40	0		JKABRM
COc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(OCC(=O)[O-])c1	ZINC000003626608	554467122	/nfs/dbraw/zinc/46/71/22/554467122.db2.gz	FMMVRJFIUGGRRO-LEAFIULHSA-N	-1	0	466.574	5.847	40	0		JKABRM
O=C([O-])CS[C@@](c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1cccc2ccccc21	ZINC000004769008	554479488	/nfs/dbraw/zinc/47/94/88/554479488.db2.gz	CCMBSYFPRLLDJQ-HKBQPEDESA-N	-1	0	460.598	7.617	40	0		JKABRM
O=C([O-])[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000005119211	554486895	/nfs/dbraw/zinc/48/68/95/554486895.db2.gz	BSFWVEBVKWTPOI-AREMUKBSSA-N	-1	0	493.584	5.461	40	0		JKABRM
CC(C)(C)[C@@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000005957648	554499085	/nfs/dbraw/zinc/49/90/85/554499085.db2.gz	IKTVSAXCEBKIPT-KTZMXWBTSA-N	-1	0	470.569	5.699	40	0		JKABRM
O=C([O-])Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000006473899	554543881	/nfs/dbraw/zinc/54/38/81/554543881.db2.gz	AGUAMNXUTBXIIL-UHFFFAOYSA-N	-1	0	481.371	6.736	40	0		JKABRM
CC(C)(C)c1cc(Br)c(CSC(=S)[N-][C@@H]2CCS(=O)(=O)C2)c(C(C)(C)C)c1	ZINC000008767566	554668152	/nfs/dbraw/zinc/66/81/52/554668152.db2.gz	OQKDLJSXFXIFIB-CQSZACIVSA-N	-1	0	492.570	5.339	40	0		JKABRM
Cc1cc([O-])c(Sc2c(O)cc(C)cc2C(C)(C)c2ccccc2)c(C(C)(C)c2ccccc2)c1	ZINC000008781102	554677997	/nfs/dbraw/zinc/67/79/97/554677997.db2.gz	VLIPREQHEAPOQI-UHFFFAOYSA-N	-1	0	482.689	8.518	40	0		JKABRM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c(OC)cc1Cl	ZINC000008810468	554690408	/nfs/dbraw/zinc/69/04/08/554690408.db2.gz	YEHZLFYEWWAQPL-UHFFFAOYSA-N	-1	0	499.347	5.203	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1F)c1ccccc1F	ZINC000008810751	554691285	/nfs/dbraw/zinc/69/12/85/554691285.db2.gz	KMHAIJHEQUKYEA-UHFFFAOYSA-N	-1	0	496.560	6.169	40	0		JKABRM
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000008833237	554730404	/nfs/dbraw/zinc/73/04/04/554730404.db2.gz	SKQGONOCDHZORK-UHFFFAOYSA-N	-1	0	493.766	5.089	40	0		JKABRM
Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)c1C	ZINC000008833752	554731200	/nfs/dbraw/zinc/73/12/00/554731200.db2.gz	ZXIJVYZYLNVQOP-UHFFFAOYSA-N	-1	0	480.586	5.352	40	0		JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C	ZINC000008877654	554773133	/nfs/dbraw/zinc/77/31/33/554773133.db2.gz	WCGUUGGRBIKTOS-SWZUJLJSSA-N	-1	0	456.711	7.090	40	0		JKABRM
O=C([O-])c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000009064754	554883574	/nfs/dbraw/zinc/88/35/74/554883574.db2.gz	BSRPNTCLKINCPH-JXMROGBWSA-N	-1	0	461.326	5.478	40	0		JKABRM
O=C([O-])c1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	ZINC000009064755	554883581	/nfs/dbraw/zinc/88/35/81/554883581.db2.gz	JDDZVLBIRGVKPM-RMKNXTFCSA-N	-1	0	461.326	5.478	40	0		JKABRM
Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]4[C@]5(C)CCC[C@@](C)(C(=O)[O-])[C@@H]5CC[C@]34C=C2C(C)C)c1	ZINC000009234468	555008008	/nfs/dbraw/zinc/00/80/08/555008008.db2.gz	MRRXYEYSIFOGFP-MTSZRRTJSA-N	-1	0	489.656	6.010	40	0		JKABRM
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]24C=C(C(C)C)[C@H]3C[C@@H]2[C@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)cc1	ZINC000009302042	555075056	/nfs/dbraw/zinc/07/50/56/555075056.db2.gz	YAHGOSRWKWIBRM-KLIFUALLSA-N	-1	0	489.656	6.010	40	0		JKABRM
Cc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000009317400	555092448	/nfs/dbraw/zinc/09/24/48/555092448.db2.gz	IHIZPTOMMUMKHH-DURBRWELSA-N	-1	0	460.533	5.368	40	0		JKABRM
COc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000009427330	555192051	/nfs/dbraw/zinc/19/20/51/555192051.db2.gz	PAOUSIQTYVKBIL-DURBRWELSA-N	-1	0	476.532	5.068	40	0		JKABRM
CCOc1ccc(N2C(=O)[C@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000009427520	555192573	/nfs/dbraw/zinc/19/25/73/555192573.db2.gz	LMVBGQWMUPPPGU-QXIHQKPUSA-N	-1	0	490.559	5.458	40	0		JKABRM
CSc1ccc([C@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2c([O-])c3ccccc3oc2=O)cc1	ZINC000013139637	555336523	/nfs/dbraw/zinc/33/65/23/555336523.db2.gz	YFDJXOLOMMRXNF-XMMPIXPASA-N	-1	0	484.577	5.199	40	0	aggregator	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000013152626	555359131	/nfs/dbraw/zinc/35/91/31/555359131.db2.gz	MIJYXULNPSFWEK-NMOPRTRMSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1	ZINC000013561477	555494617	/nfs/dbraw/zinc/49/46/17/555494617.db2.gz	ICIKIDDBXIYFGQ-UHFFFAOYSA-N	-1	0	450.519	6.581	40	0		JKABRM
O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000019937744	555554234	/nfs/dbraw/zinc/55/42/34/555554234.db2.gz	AJMMZKPGZCZYFY-UHFFFAOYSA-N	-1	0	475.776	5.309	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)cc1C	ZINC000013669973	555560305	/nfs/dbraw/zinc/56/03/05/555560305.db2.gz	MEVMLMPSKALNES-LJQANCHMSA-N	-1	0	499.076	6.546	40	0		JKABRM
CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1	ZINC000013670222	555560738	/nfs/dbraw/zinc/56/07/38/555560738.db2.gz	OMOJPMVXDWXSIL-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000013671787	555563123	/nfs/dbraw/zinc/56/31/23/555563123.db2.gz	PRCNMNCKDPZHEZ-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1	ZINC000009938579	555564629	/nfs/dbraw/zinc/56/46/29/555564629.db2.gz	PZPZEGGSPGUMRZ-UHFFFAOYSA-N	-1	0	456.984	5.092	40	0		JKABRM
O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013679940	555571893	/nfs/dbraw/zinc/57/18/93/555571893.db2.gz	UQZCVESLAJNIGM-UHFFFAOYSA-N	-1	0	484.986	6.247	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1Cl	ZINC000020035276	555609913	/nfs/dbraw/zinc/60/99/13/555609913.db2.gz	GPCRKGLGSFBJRO-JOCHJYFZSA-N	-1	0	454.979	5.257	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000020035616	555610164	/nfs/dbraw/zinc/61/01/64/555610164.db2.gz	KDJUQNIWWXDCOD-KRWDZBQOSA-N	-1	0	472.994	5.339	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)c1	ZINC000020037271	555611521	/nfs/dbraw/zinc/61/15/21/555611521.db2.gz	TVYJINFLISHNEM-JOCHJYFZSA-N	-1	0	454.979	5.257	40	0		JKABRM
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000020045183	555616209	/nfs/dbraw/zinc/61/62/09/555616209.db2.gz	FLPQEJUQPWNAQB-UHFFFAOYSA-N	-1	0	456.995	5.338	40	0		JKABRM
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1	ZINC000010110759	555620765	/nfs/dbraw/zinc/62/07/65/555620765.db2.gz	CZEQOBNDYYBBPT-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2Cl)c1	ZINC000010112059	555624223	/nfs/dbraw/zinc/62/42/23/555624223.db2.gz	MNBQIALBUWMOQU-UHFFFAOYSA-N	-1	0	493.025	5.252	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)cc1	ZINC000010112010	555624296	/nfs/dbraw/zinc/62/42/96/555624296.db2.gz	KWYYORPKXYUAET-GOSISDBHSA-N	-1	0	485.049	6.238	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000010112257	555624935	/nfs/dbraw/zinc/62/49/35/555624935.db2.gz	QTMBFWPEZVKMCG-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000010112256	555625006	/nfs/dbraw/zinc/62/50/06/555625006.db2.gz	FJKJSFHWFFMABE-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)c1C	ZINC000020106323	555639969	/nfs/dbraw/zinc/63/99/69/555639969.db2.gz	XAUZICYQILOEFD-UHFFFAOYSA-N	-1	0	477.413	5.683	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)c(C)c1	ZINC000020109041	555644569	/nfs/dbraw/zinc/64/45/69/555644569.db2.gz	LJPWRJMXVJJKFL-UHFFFAOYSA-N	-1	0	477.413	5.683	40	0		JKABRM
Cc1cc(Cl)ccc1-c1cccc([C@@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)[O-])c1	ZINC000013974121	555666250	/nfs/dbraw/zinc/66/62/50/555666250.db2.gz	LMJHPADNCZPRCN-AECMNLRDSA-N	-1	0	470.009	5.931	40	0	in-vitro	JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000020150884	555667389	/nfs/dbraw/zinc/66/73/89/555667389.db2.gz	XSUHPMFZKMMZLA-QPJJXVBHSA-N	-1	0	466.704	6.266	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000020151109	555667943	/nfs/dbraw/zinc/66/79/43/555667943.db2.gz	DIXNKECLWOQHFY-HWKANZROSA-N	-1	0	466.704	6.266	40	0		JKABRM
O=C([O-])COc1cc(NC(=O)c2ccc(Br)cc2)ccc1-c1nc2ccccc2s1	ZINC000020158284	555676651	/nfs/dbraw/zinc/67/66/51/555676651.db2.gz	KCEYBSZSMFQCKL-UHFFFAOYSA-N	-1	0	483.343	5.442	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(OCC(=O)[O-])c2)cc1	ZINC000020158243	555676657	/nfs/dbraw/zinc/67/66/57/555676657.db2.gz	OYTZOCNLALZYLM-UHFFFAOYSA-N	-1	0	460.555	5.977	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000014153337	555709084	/nfs/dbraw/zinc/70/90/84/555709084.db2.gz	GJRZTZVJKMBWNV-UHFFFAOYSA-N	-1	0	471.022	6.135	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)cc1C	ZINC000014153227	555709155	/nfs/dbraw/zinc/70/91/55/555709155.db2.gz	NKJIMXYPHIQQPY-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)c(C)c1	ZINC000014153511	555709656	/nfs/dbraw/zinc/70/96/56/555709656.db2.gz	KWRYEKNPUQXFBC-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c1	ZINC000014153812	555710342	/nfs/dbraw/zinc/71/03/42/555710342.db2.gz	SVVWJTUTMJGSPR-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
O=C(NCCSCc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014154046	555710726	/nfs/dbraw/zinc/71/07/26/555710726.db2.gz	FOOWIQDLGOKPNO-UHFFFAOYSA-N	-1	0	495.453	5.457	40	0		JKABRM
O=C(NCCSCc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014153944	555710737	/nfs/dbraw/zinc/71/07/37/555710737.db2.gz	FAONKVSDMMCRRI-UHFFFAOYSA-N	-1	0	495.453	5.457	40	0		JKABRM
CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000014154182	555710946	/nfs/dbraw/zinc/71/09/46/555710946.db2.gz	SYEUJCZGJCJRIO-UHFFFAOYSA-N	-1	0	456.995	5.881	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)c(C)c1	ZINC000014154553	555711842	/nfs/dbraw/zinc/71/18/42/555711842.db2.gz	VRFXIJHLGOOEOJ-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2Cl)c1C	ZINC000014154680	555712201	/nfs/dbraw/zinc/71/22/01/555712201.db2.gz	QOHXYXKTLNULLZ-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1Cl	ZINC000014154798	555712409	/nfs/dbraw/zinc/71/24/09/555712409.db2.gz	UBMWBXUQMFGEJX-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014155249	555713349	/nfs/dbraw/zinc/71/33/49/555713349.db2.gz	AZQQZPQUFZCUKS-UHFFFAOYSA-N	-1	0	454.857	5.412	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c1C	ZINC000014155408	555713640	/nfs/dbraw/zinc/71/36/40/555713640.db2.gz	FREBUVKRQAMWGF-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1Cl	ZINC000014155475	555713749	/nfs/dbraw/zinc/71/37/49/555713749.db2.gz	ANDUHALGQLYGEV-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000014155554	555713984	/nfs/dbraw/zinc/71/39/84/555713984.db2.gz	WQAXGMPHAFADFK-UHFFFAOYSA-N	-1	0	461.008	5.732	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1Cl	ZINC000014269362	555758795	/nfs/dbraw/zinc/75/87/95/555758795.db2.gz	HDBDUCNBWXSTOS-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl	ZINC000014269458	555759179	/nfs/dbraw/zinc/75/91/79/555759179.db2.gz	HFWGSDIWQOTXIO-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014275219	555780117	/nfs/dbraw/zinc/78/01/17/555780117.db2.gz	FARMLGLEZOTILP-UHFFFAOYSA-N	-1	0	476.168	6.393	40	0		JKABRM
CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020549782	555806636	/nfs/dbraw/zinc/80/66/36/555806636.db2.gz	LPIIKOGITYMZCS-KIZRIRGWSA-N	-1	0	477.582	5.819	40	0		JKABRM
CCCOc1ccccc1NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1	ZINC000020595721	555839058	/nfs/dbraw/zinc/83/90/58/555839058.db2.gz	WKHLAMDGBKGMBS-UHFFFAOYSA-N	-1	0	481.599	5.447	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000014980275	555841942	/nfs/dbraw/zinc/84/19/42/555841942.db2.gz	FMIMFCRXYXVFTA-SLNRVFPDSA-N	-1	0	454.695	7.442	40	0		JKABRM
CCc1c(C)sc([N-]C(NC(=O)CCc2ccccc2)(C(F)(F)F)C(F)(F)F)c1C(=O)OC	ZINC000015277389	555892786	/nfs/dbraw/zinc/89/27/86/555892786.db2.gz	BIUJPKWNJVTHDL-UHFFFAOYSA-N	-1	0	496.473	5.387	40	0		JKABRM
Cc1ccc(C(=O)[C@@H](C)[C@@H]2c3cc(Br)ccc3OC(=O)C2=C([O-])c2ccccc2)cc1	ZINC000015306252	555895062	/nfs/dbraw/zinc/89/50/62/555895062.db2.gz	WFAVJZATFYOORT-FNVCAUGXSA-N	-1	0	477.354	5.778	40	0		JKABRM
CC1=C[C@@H](c2ccc(Cl)cc2)[C@@](C(=O)[O-])(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)CC1	ZINC000012416748	555977475	/nfs/dbraw/zinc/97/74/75/555977475.db2.gz	BHBPHDUYYBUGKG-SETSBSEESA-N	-1	0	496.994	7.106	40	0		JKABRM
CC1=C[C@@H](c2ccc(Cl)cc2)[C@](C(=O)[O-])(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)CC1	ZINC000012416744	555977495	/nfs/dbraw/zinc/97/74/95/555977495.db2.gz	BHBPHDUYYBUGKG-QCDSWUKFSA-N	-1	0	496.994	7.106	40	0		JKABRM
C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000012869004	556121012	/nfs/dbraw/zinc/12/10/12/556121012.db2.gz	WCGUUGGRBIKTOS-WOEFGGQMSA-N	-1	0	456.711	7.090	40	0	biogenic	JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)S2)cc1	ZINC000016161920	556127493	/nfs/dbraw/zinc/12/74/93/556127493.db2.gz	YSUSHNYQFGJYDC-OFCKJYIJSA-N	-1	0	460.555	5.126	40	0		JKABRM
Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])c1	ZINC000016291090	556133646	/nfs/dbraw/zinc/13/36/46/556133646.db2.gz	DJXOPYJWZWJIAY-UHFFFAOYSA-N	-1	0	455.363	5.015	40	0		JKABRM
O=C(Nc1cc(-c2ccccc2)cs1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000016492759	556141539	/nfs/dbraw/zinc/14/15/39/556141539.db2.gz	QLUZIDPFNPVMTI-UHFFFAOYSA-N	-1	0	452.532	5.607	40	0		JKABRM
CC1(C)[C@H](C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)CC[C@@]1(C)C(=O)[O-]	ZINC000016740837	556156506	/nfs/dbraw/zinc/15/65/06/556156506.db2.gz	LZOKPFMTLUKPQV-QYBDOPJKSA-N	-1	0	462.571	5.507	40	0		JKABRM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccccc1Br	ZINC000016778329	556158872	/nfs/dbraw/zinc/15/88/72/556158872.db2.gz	MFZCRIDCHFGZIT-UHFFFAOYSA-N	-1	0	487.354	5.384	40	0		JKABRM
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C1c2ccc(O)cc2Oc2cc(O)ccc21	ZINC000025694237	556230530	/nfs/dbraw/zinc/23/05/30/556230530.db2.gz	QCPUENHVOGCWPW-UHFFFAOYSA-N	-1	0	472.107	6.696	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000026690421	556259958	/nfs/dbraw/zinc/25/99/58/556259958.db2.gz	MDZKJHQSJHYOHJ-UPMAXNIISA-N	-1	0	472.710	6.204	40	0		JKABRM
CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCc4ccc(C(=O)[O-])cc4)c32)C1	ZINC000013065338	556264053	/nfs/dbraw/zinc/26/40/53/556264053.db2.gz	LDDSGLFBJYMYOT-QGZVFWFLSA-N	-1	0	452.645	6.710	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000028524746	556334617	/nfs/dbraw/zinc/33/46/17/556334617.db2.gz	FMIMFCRXYXVFTA-ZQRWBPMYSA-N	-1	0	454.695	7.442	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000029392441	556351313	/nfs/dbraw/zinc/35/13/13/556351313.db2.gz	FMIMFCRXYXVFTA-CUTDYVBPSA-N	-1	0	454.695	7.442	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1	ZINC000030751252	556371281	/nfs/dbraw/zinc/37/12/81/556371281.db2.gz	FPRFTWJWRBKKPO-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(OC)cc1	ZINC000030852742	556378120	/nfs/dbraw/zinc/37/81/20/556378120.db2.gz	CWNCDOCDVOKNJH-JOCHJYFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)cc1C	ZINC000030857681	556380609	/nfs/dbraw/zinc/38/06/09/556380609.db2.gz	HPQZZTWDRGVJSW-INIZCTEOSA-N	-1	0	460.958	5.388	40	0		JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000030860049	556381465	/nfs/dbraw/zinc/38/14/65/556381465.db2.gz	ROJHXAQASPZUHQ-GOSISDBHSA-N	-1	0	487.021	5.647	40	0		JKABRM
Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116378	556423243	/nfs/dbraw/zinc/42/32/43/556423243.db2.gz	BIPADTNOMQYYPM-UHFFFAOYSA-N	-1	0	482.359	5.398	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(-c2cccc(Cl)c2)o1	ZINC000032116423	556423696	/nfs/dbraw/zinc/42/36/96/556423696.db2.gz	VZGXRPUIOGQRPU-UHFFFAOYSA-N	-1	0	471.532	6.083	40	0		JKABRM
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116587	556424303	/nfs/dbraw/zinc/42/43/03/556424303.db2.gz	XOYBVLGTRLKOQK-UHFFFAOYSA-N	-1	0	487.737	5.942	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)C(c1ccccc1)c1ccccc1	ZINC000032116665	556424436	/nfs/dbraw/zinc/42/44/36/556424436.db2.gz	PSAAKCPIMQIAFG-UHFFFAOYSA-N	-1	0	499.364	6.734	40	0		JKABRM
CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116633	556424463	/nfs/dbraw/zinc/42/44/63/556424463.db2.gz	NLOUANFCCNPLLI-AWEZNQCLSA-N	-1	0	481.346	6.393	40	0		JKABRM
CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116690	556424819	/nfs/dbraw/zinc/42/48/19/556424819.db2.gz	FDEJKPPPCZSYET-UHFFFAOYSA-N	-1	0	451.320	6.339	40	0		JKABRM
Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)c(Cl)c1	ZINC000032116711	556424888	/nfs/dbraw/zinc/42/48/88/556424888.db2.gz	TUXCJKYOCSADAZ-UHFFFAOYSA-N	-1	0	478.593	5.006	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(Cl)c(Cl)c1	ZINC000032116725	556425091	/nfs/dbraw/zinc/42/50/91/556425091.db2.gz	ICSVNVQXRIDBAO-UHFFFAOYSA-N	-1	0	478.129	6.522	40	0		JKABRM
Cc1cc(OCC(=O)Nc2cc(Br)c([O-])c(Br)c2)cc(C)c1Cl	ZINC000032116803	556425451	/nfs/dbraw/zinc/42/54/51/556425451.db2.gz	WVFSANAPUVNAPM-UHFFFAOYSA-N	-1	0	463.553	5.205	40	0		JKABRM
C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C1=CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@@H](O)C[C@@H](O)[C@]21C)C(=O)[O-]	ZINC000514288256	560035308	/nfs/dbraw/zinc/03/53/08/560035308.db2.gz	YQXLCRFLNIXKQV-WCXOVBEKSA-N	-1	0	472.710	6.371	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000085648458	560066979	/nfs/dbraw/zinc/06/69/79/560066979.db2.gz	OXVUXGFZHDKYLS-KZODQMPLSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)CC(C)(C)CC(=O)[O-])C=C3C)nc21	ZINC000072321021	560077827	/nfs/dbraw/zinc/07/78/27/560077827.db2.gz	MRPNKRLPBYQGHR-ACRUOGEOSA-N	-1	0	453.627	5.276	40	0	biogenic,in-vitro	JKABRM
C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-]	ZINC000071404287	560078233	/nfs/dbraw/zinc/07/82/33/560078233.db2.gz	HQRDPIWOOJDSNU-ICJSYQJOSA-N	-1	0	469.710	7.869	40	0	biogenic,in-vitro	JKABRM
CC(=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000035456370	560081240	/nfs/dbraw/zinc/08/12/40/560081240.db2.gz	RVMPLOSJMIQORE-IEOVJSKXSA-N	-1	0	458.683	6.102	40	0	biogenic,in-vitro	JKABRM
C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(=O)[O-]	ZINC000035458152	563120205	/nfs/dbraw/zinc/12/02/05/563120205.db2.gz	VOYZLKWKVLYJHD-UZEUFRBSSA-N	-1	0	454.695	7.608	40	0	biogenic,in-vitro	JKABRM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1	ZINC000036380459	563127625	/nfs/dbraw/zinc/12/76/25/563127625.db2.gz	PLLBVKHSACWFCI-UNOMPAQXSA-N	-1	0	483.343	5.175	40	0		JKABRM
CC1C(=O)C(=O)C=C2C1=CC=C1[C@]2(C)CC[C@]2(C)[C@@H]3C[C@](C)(C(=O)[O-])CC[C@@]3(C)CC[C@@]12C	ZINC000043772513	563171022	/nfs/dbraw/zinc/17/10/22/563171022.db2.gz	KQJSQWZMSAGSHN-KYWGTOOWSA-N	-1	0	450.619	6.698	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000053297218	563205690	/nfs/dbraw/zinc/20/56/90/563205690.db2.gz	MTYYNXSHJWOTKV-OYKKKHCWSA-N	-1	0	489.549	5.517	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1[NH2+]CCCCCCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000008660393	569592533	/nfs/dbraw/zinc/59/25/33/569592533.db2.gz	KKFVLVJTNDFPHI-NAVOZUGXSA-N	-1	0	480.690	5.128	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1[NH2+]CCCCCCCCCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000008660395	569592550	/nfs/dbraw/zinc/59/25/50/569592550.db2.gz	KKFVLVJTNDFPHI-NEWJYFPISA-N	-1	0	480.690	5.128	40	0		JKABRM
COc1cc(/C=C/C(=O)Nc2nc(CC(=O)[O-])cs2)ccc1OCc1c(Cl)cccc1Cl	ZINC000062714845	569614273	/nfs/dbraw/zinc/61/42/73/569614273.db2.gz	SJHYJWCGTCULGI-SOFGYWHQSA-N	-1	0	493.368	5.317	40	0		JKABRM
CCOc1cc(/C=C/C(=O)NCCCC(=O)[O-])cc(Br)c1OCc1ccccc1Cl	ZINC000062715605	569614390	/nfs/dbraw/zinc/61/43/90/569614390.db2.gz	XQSDIUMMBXVLAD-MDZDMXLPSA-N	-1	0	496.785	5.074	40	0		JKABRM
O=C([O-])c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl	ZINC000033313682	569623096	/nfs/dbraw/zinc/62/30/96/569623096.db2.gz	WOBPZFKXPCYOLU-ODLFYWEKSA-N	-1	0	455.944	5.700	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)C(=O)[N-]C2=S)cc1	ZINC000033371218	569625301	/nfs/dbraw/zinc/62/53/01/569625301.db2.gz	LOAPWKZWSBVKRZ-CPNJWEJPSA-N	-1	0	477.498	5.097	40	0		JKABRM
CCOc1cc(COc2c(Cl)cc(C(=O)[O-])cc2OCC)ccc1OCc1ccccc1	ZINC000033376275	569625311	/nfs/dbraw/zinc/62/53/11/569625311.db2.gz	VGUAQASQAKRCBC-UHFFFAOYSA-N	-1	0	456.922	5.994	40	0		JKABRM
Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)c(Br)c1	ZINC000033385434	569625530	/nfs/dbraw/zinc/62/55/30/569625530.db2.gz	GSYLQEWCMQSZAP-YBEGLDIGSA-N	-1	0	455.264	5.113	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)[N-]C2=S)cc1	ZINC000033422882	569626135	/nfs/dbraw/zinc/62/61/35/569626135.db2.gz	RUVPVJYSDCGNEN-CPNJWEJPSA-N	-1	0	477.498	5.097	40	0		JKABRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	ZINC000033527408	569627361	/nfs/dbraw/zinc/62/73/61/569627361.db2.gz	VHBFCGGYEVNZTG-HYARGMPZSA-N	-1	0	462.889	5.434	40	0		JKABRM
CCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000033600248	569628561	/nfs/dbraw/zinc/62/85/61/569628561.db2.gz	RQHJVWLHFBNMSF-BOPFTXTBSA-N	-1	0	488.294	5.043	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1	ZINC000033685421	569630829	/nfs/dbraw/zinc/63/08/29/569630829.db2.gz	ZXGDYTLINNDJFJ-XLNRJJMWSA-N	-1	0	480.561	5.950	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)cc1	ZINC000033705011	569631182	/nfs/dbraw/zinc/63/11/82/569631182.db2.gz	HCXLEQSFGCBLMN-UHFFFAOYSA-N	-1	0	450.947	5.855	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OC	ZINC000033719057	569631915	/nfs/dbraw/zinc/63/19/15/569631915.db2.gz	BRUDMQFWRSVSSV-FBJMNJBLSA-N	-1	0	456.926	5.649	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000033739773	569632949	/nfs/dbraw/zinc/63/29/49/569632949.db2.gz	JVRAZCGSDNIOIW-ZNBBLSJYSA-N	-1	0	472.994	5.814	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C#N)cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000033768705	569634053	/nfs/dbraw/zinc/63/40/53/569634053.db2.gz	OJURJRSBIXPUKQ-OEAKJJBVSA-N	-1	0	454.555	5.200	40	0		JKABRM
CCOc1ccc(N2C(=O)C(=Cc3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)C(=O)[N-]C2=S)cc1	ZINC000033788883	569635109	/nfs/dbraw/zinc/63/51/09/569635109.db2.gz	OPTLRXLSANMUTK-BGARDKSCSA-N	-1	0	488.993	5.596	40	0		JKABRM
N#Cc1ccccc1COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000034704880	569649413	/nfs/dbraw/zinc/64/94/13/569649413.db2.gz	MRDMGWHEXMHDAR-ZVHZXABRSA-N	-1	0	477.476	5.386	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)c(C)c1	ZINC000034864638	569668008	/nfs/dbraw/zinc/66/80/08/569668008.db2.gz	TWLMEPGAOJNART-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000034881504	569668817	/nfs/dbraw/zinc/66/88/17/569668817.db2.gz	FFEPQOXOTBXLSX-HZHRSRAPSA-N	-1	0	483.568	6.063	40	0		JKABRM
CCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000034888263	569669041	/nfs/dbraw/zinc/66/90/41/569669041.db2.gz	VIJUYYWQDSDLOR-UYRXBGFRSA-N	-1	0	471.351	5.752	40	0		JKABRM
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000035045822	569674014	/nfs/dbraw/zinc/67/40/14/569674014.db2.gz	OFHHSDOIBADROO-NDENLUEZSA-N	-1	0	452.919	5.687	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)(C)C)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000035147335	569676053	/nfs/dbraw/zinc/67/60/53/569676053.db2.gz	QFLKGIWUAGWSLX-AREMUKBSSA-N	-1	0	465.553	6.131	40	0		JKABRM
CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000071980488	569699411	/nfs/dbraw/zinc/69/94/11/569699411.db2.gz	MZWNAYCTOONIEN-FOCKTWCOSA-N	-1	0	481.433	5.582	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000085210727	569709741	/nfs/dbraw/zinc/70/97/41/569709741.db2.gz	WLNARFZDISHUGS-OGIUOUPUSA-N	-1	0	486.737	7.804	40	0		JKABRM
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl	ZINC000085342936	569709777	/nfs/dbraw/zinc/70/97/77/569709777.db2.gz	NHKDHDKLCYBVOQ-UHFFFAOYSA-N	-1	0	493.766	5.089	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(Cl)cc1Cl	ZINC000085342817	569709806	/nfs/dbraw/zinc/70/98/06/569709806.db2.gz	KRHGUDWGTCHORC-UHFFFAOYSA-N	-1	0	453.734	5.625	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1	ZINC000035898018	569723355	/nfs/dbraw/zinc/72/33/55/569723355.db2.gz	HCPJAXQSNCEVHB-OVQGTLEDSA-N	-1	0	481.614	5.659	40	0		JKABRM
COc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCC(=O)[O-])cc2c1	ZINC000095532171	569725449	/nfs/dbraw/zinc/72/54/49/569725449.db2.gz	HBEGKXCQIZWWOL-FQEVSTJZSA-N	-1	0	472.328	5.093	40	0		JKABRM
COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2c1	ZINC000095532166	569725498	/nfs/dbraw/zinc/72/54/98/569725498.db2.gz	FYYVMZFNLAXQMQ-JOCHJYFZSA-N	-1	0	465.937	5.138	40	0		JKABRM
CCOC(=O)c1c(O)c(Br)c([O-])c(Br)c1/C=C/c1ccc(Cl)s1	ZINC000035973573	569739867	/nfs/dbraw/zinc/73/98/67/569739867.db2.gz	RWAYYSCFDJKLBB-HWKANZROSA-N	-1	0	482.577	5.685	40	0		JKABRM
CC(C)(SCc1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000098043869	569749796	/nfs/dbraw/zinc/74/97/96/569749796.db2.gz	YVXKVWYRXVISMT-XMMPIXPASA-N	-1	0	461.583	5.690	40	0		JKABRM
O=C(C(=C([O-])c1cccs1)[C@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1)C(F)(F)F	ZINC000100538433	569764082	/nfs/dbraw/zinc/76/40/82/569764082.db2.gz	DSGZHIFRJJOMHW-FGZHOGPDSA-N	-1	0	471.475	6.824	40	0		JKABRM
C[C@@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100637250	569765893	/nfs/dbraw/zinc/76/58/93/569765893.db2.gz	DOMKDVRQFVLOLZ-ZOJNDGCKSA-N	-1	0	491.381	5.255	40	0		JKABRM
O=C(Nc1ccc(Cl)cc1)C(=O)C(=C([O-])c1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000100933217	569776496	/nfs/dbraw/zinc/77/64/96/569776496.db2.gz	PJCDYMUBQHQELO-AREMUKBSSA-N	-1	0	467.952	6.179	40	0		JKABRM
CCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)N(c4ccccc4)O[C@@H]3C2=O)cc1	ZINC000101057117	569780641	/nfs/dbraw/zinc/78/06/41/569780641.db2.gz	NVTAQODLHBKFID-SGNDLWITSA-N	-1	0	497.378	5.833	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000038143542	569799620	/nfs/dbraw/zinc/79/96/20/569799620.db2.gz	MIJYXULNPSFWEK-LXLHWSNGSA-N	-1	0	456.711	7.234	40	0		JKABRM
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000038754151	569806655	/nfs/dbraw/zinc/80/66/55/569806655.db2.gz	JHJCSLUZYOPQSI-UHFFFAOYSA-N	-1	0	456.995	5.338	40	0		JKABRM
CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000038755640	569807104	/nfs/dbraw/zinc/80/71/04/569807104.db2.gz	OKBRFVWHTSXEPI-IBGZPJMESA-N	-1	0	461.996	5.045	40	0		JKABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2)n1	ZINC000038755895	569807112	/nfs/dbraw/zinc/80/71/12/569807112.db2.gz	CCJBHSDWEIYECN-XIEYBQDHSA-N	-1	0	484.581	5.074	40	0		JKABRM
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)occ3C(C)(C)C	ZINC000101968777	569808439	/nfs/dbraw/zinc/80/84/39/569808439.db2.gz	NFIYTYXXELJWIG-CALCHBBNSA-N	-1	0	467.562	5.085	40	0		JKABRM
CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-]	ZINC000039417922	569809822	/nfs/dbraw/zinc/80/98/22/569809822.db2.gz	PRQWZKPLKWYCDZ-LJQANCHMSA-N	-1	0	454.350	5.435	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000102227484	569811164	/nfs/dbraw/zinc/81/11/64/569811164.db2.gz	JXSVIVRDWWRQRT-MNDYXENPSA-N	-1	0	488.709	5.033	40	0		JKABRM
CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102736042	569818722	/nfs/dbraw/zinc/81/87/22/569818722.db2.gz	KGTCDSBYSHPIRU-TZRRMPRUSA-N	-1	0	460.961	5.689	40	0		JKABRM
Cc1nc(Nc2ccccc2Cl)sc1C([O-])=CC(=O)C(=O)Nc1c(C)cccc1C(C)C	ZINC000102935071	569829177	/nfs/dbraw/zinc/82/91/77/569829177.db2.gz	VWWYBFRPJMFIGY-UHFFFAOYSA-N	-1	0	469.994	6.061	40	0		JKABRM
COc1ccc(C([O-])=C(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1	ZINC000102946446	569829743	/nfs/dbraw/zinc/82/97/43/569829743.db2.gz	OAKAJDHFFQYYKP-OAQYLSRUSA-N	-1	0	472.324	5.185	40	0		JKABRM
O=C([O-])/C=C/c1cc(Br)c(-c2ccc(Br)cc2Br)o1	ZINC000040544938	569830096	/nfs/dbraw/zinc/83/00/96/569830096.db2.gz	FKOAWVIFYXSRBP-DUXPYHPUSA-N	-1	0	450.908	5.332	40	0		JKABRM
COc1ccccc1Nc1nc(-c2sc([N-]S(=O)(=O)c3ccccc3)nc2C)cs1	ZINC000040556477	569830226	/nfs/dbraw/zinc/83/02/26/569830226.db2.gz	WYUMYHBVWGSSBF-UHFFFAOYSA-N	-1	0	458.590	5.128	40	0		JKABRM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102964405	569830301	/nfs/dbraw/zinc/83/03/01/569830301.db2.gz	YRDZXMGIXPRCGR-ATIYNZHBSA-N	-1	0	473.500	5.176	40	0		JKABRM
COc1ccc(CCC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(Cc2ccccc2)n1	ZINC000103298788	569834384	/nfs/dbraw/zinc/83/43/84/569834384.db2.gz	CQAFXNJXEWGXKF-UHFFFAOYSA-N	-1	0	472.541	5.308	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CC(=O)[O-])ccc2OCC(C)C)nn1CCc1ccccc1	ZINC000103297392	569834432	/nfs/dbraw/zinc/83/44/32/569834432.db2.gz	ZIRAFVLXKHNGIG-UHFFFAOYSA-N	-1	0	498.623	6.520	40	0		JKABRM
CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(Cc2ccccc2)n1	ZINC000103298852	569834461	/nfs/dbraw/zinc/83/44/61/569834461.db2.gz	OOKQGAVLGDDIDD-UHFFFAOYSA-N	-1	0	472.541	5.770	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CC(=O)[O-])ccc2OCC)nn1CCc1ccccc1	ZINC000103298862	569834478	/nfs/dbraw/zinc/83/44/78/569834478.db2.gz	IFPJNGZYBVNPFF-UHFFFAOYSA-N	-1	0	470.569	5.884	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CCC(=O)[O-])ccc2OC)nn1CCc1ccccc1	ZINC000103298760	569834481	/nfs/dbraw/zinc/83/44/81/569834481.db2.gz	FVRAVLDUPCSJMQ-UHFFFAOYSA-N	-1	0	470.569	5.884	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]13	ZINC000105366179	569852909	/nfs/dbraw/zinc/85/29/09/569852909.db2.gz	JZCAMJGYCFMTGT-UFKBGXFVSA-N	-1	0	491.628	5.407	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]13	ZINC000105366197	569852913	/nfs/dbraw/zinc/85/29/13/569852913.db2.gz	FYZFYVOGEUZQNZ-UOAMTUORSA-N	-1	0	491.628	5.407	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)cc(Br)c2[O-])C(=O)N1Cc1ccccc1F	ZINC000106697665	569854753	/nfs/dbraw/zinc/85/47/53/569854753.db2.gz	JSAPOEDVEFZUKK-NSIKDUERSA-N	-1	0	487.144	5.293	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1Cc1ccccc1F	ZINC000106697733	569854774	/nfs/dbraw/zinc/85/47/74/569854774.db2.gz	YYZDZQLHHFCSDK-AUWJEWJLSA-N	-1	0	487.144	5.293	40	0		JKABRM
CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1OCC(=O)[O-]	ZINC000106700496	569854822	/nfs/dbraw/zinc/85/48/22/569854822.db2.gz	QXPGASUUDLYBLW-IUXPMGMMSA-N	-1	0	482.341	5.092	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000106716957	569855013	/nfs/dbraw/zinc/85/50/13/569855013.db2.gz	XMQOBVAEJHBELH-GRSHGNNSSA-N	-1	0	474.321	6.188	40	0		JKABRM
O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1ccccc1Br	ZINC000106726029	569855164	/nfs/dbraw/zinc/85/51/64/569855164.db2.gz	LFESCFZUCUWAND-AUWJEWJLSA-N	-1	0	459.148	5.698	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1	ZINC000106737192	569855309	/nfs/dbraw/zinc/85/53/09/569855309.db2.gz	QIBUNLILWRRSMS-WNFQYIGGSA-N	-1	0	497.912	5.572	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1	ZINC000106740851	569855368	/nfs/dbraw/zinc/85/53/68/569855368.db2.gz	OAITULIAPFECJQ-GRSHGNNSSA-N	-1	0	457.866	5.674	40	0		JKABRM
O=S(=O)([N-]c1ccc(Br)cc1C(F)(F)F)c1cccc(Br)c1	ZINC000107123995	569856229	/nfs/dbraw/zinc/85/62/29/569856229.db2.gz	YVUBXQGECFFCNJ-UHFFFAOYSA-N	-1	0	459.081	5.031	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)cc1	ZINC000107660838	569856897	/nfs/dbraw/zinc/85/68/97/569856897.db2.gz	UKZULEXBPUPPDJ-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Br)ccc2Cl)c1C	ZINC000107838660	569857601	/nfs/dbraw/zinc/85/76/01/569857601.db2.gz	HAOMFCNYMDAHSU-UHFFFAOYSA-N	-1	0	493.810	5.772	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000107893860	569857804	/nfs/dbraw/zinc/85/78/04/569857804.db2.gz	WRHZMRQSRBZSPZ-NHDPSOOVSA-N	-1	0	499.928	5.455	40	0		JKABRM
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000107954801	569858123	/nfs/dbraw/zinc/85/81/23/569858123.db2.gz	OKXSQEFSYCVFHH-UHFFFAOYSA-N	-1	0	455.750	5.700	40	0		JKABRM
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1OC	ZINC000108936983	569859930	/nfs/dbraw/zinc/85/99/30/569859930.db2.gz	CNNWHWJCPOTQFM-UHFFFAOYSA-N	-1	0	474.966	5.027	40	0		JKABRM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1	ZINC000108979809	569860157	/nfs/dbraw/zinc/86/01/57/569860157.db2.gz	NSTXYZPMHHOPHI-UHFFFAOYSA-N	-1	0	456.567	5.330	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)cc1C	ZINC000110213262	569860737	/nfs/dbraw/zinc/86/07/37/569860737.db2.gz	SHZGVZHCWMQJJQ-UHFFFAOYSA-N	-1	0	464.974	6.163	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](c5c([O-])[nH]c(=O)[nH]c5=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118928968	569863870	/nfs/dbraw/zinc/86/38/70/569863870.db2.gz	OAAAZVHOXPGMEK-CHFPQXGYSA-N	-1	0	496.736	6.626	40	0		JKABRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OCC(=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118929367	569863907	/nfs/dbraw/zinc/86/39/07/569863907.db2.gz	GFIJGEUKERLGTC-HEIFLBNWSA-N	-1	0	460.699	6.468	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OCC(=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118929365	569863927	/nfs/dbraw/zinc/86/39/27/569863927.db2.gz	GFIJGEUKERLGTC-AKEVEVDHSA-N	-1	0	460.699	6.468	40	0		JKABRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OCC(=O)[O-])C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118929363	569863935	/nfs/dbraw/zinc/86/39/35/569863935.db2.gz	GFIJGEUKERLGTC-LVTDOFSJSA-N	-1	0	460.699	6.468	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C	ZINC000123351617	569864369	/nfs/dbraw/zinc/86/43/69/569864369.db2.gz	UUJIBKBLRCGCFZ-ARRYJEOKSA-N	-1	0	496.688	6.343	40	0		JKABRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C	ZINC000123350950	569864373	/nfs/dbraw/zinc/86/43/73/569864373.db2.gz	UUJIBKBLRCGCFZ-JPSWMKKGSA-N	-1	0	496.688	6.343	40	0		JKABRM
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000144229744	569867754	/nfs/dbraw/zinc/86/77/54/569867754.db2.gz	PDLBPUZQLACOOH-NDENLUEZSA-N	-1	0	452.919	5.687	40	0		JKABRM
COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(Br)cc1OCC(=O)[O-]	ZINC000144671759	569867767	/nfs/dbraw/zinc/86/77/67/569867767.db2.gz	VIGKVRMLTUULSR-UHFFFAOYSA-N	-1	0	479.330	5.645	40	0		JKABRM
O=C([O-])c1c(C(=O)Nc2ccc3nc(SCc4ccc(F)cc4)sc3c2)cccc1[N+](=O)[O-]	ZINC000144570600	569867780	/nfs/dbraw/zinc/86/77/80/569867780.db2.gz	FKECLKRUGDNGSZ-UHFFFAOYSA-N	-1	0	483.502	5.586	40	0		JKABRM
CC(=O)c1ccc(NC(=O)[C@@H](Sc2ccc(NC(=O)C=C(C)C(=O)[O-])cc2)c2ccccc2)cc1	ZINC000211512480	569876184	/nfs/dbraw/zinc/87/61/84/569876184.db2.gz	WHWMSQZBESMOFH-OSBDDZKNSA-N	-1	0	488.565	5.331	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)C(=O)[O-]	ZINC000211520044	569876207	/nfs/dbraw/zinc/87/62/07/569876207.db2.gz	CKJDSFNDYHTEGU-BMRADRMJSA-N	-1	0	462.527	5.179	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)/C(=C/c1ccccc1)c1ccccc1	ZINC000215963900	569877730	/nfs/dbraw/zinc/87/77/30/569877730.db2.gz	XXAKLVFWAAUYBX-XIEYBQDHSA-N	-1	0	455.539	5.062	40	0		JKABRM
Cc1ccc([C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc2)cc1	ZINC000216259885	569877986	/nfs/dbraw/zinc/87/79/86/569877986.db2.gz	DRIGTDFPHZEJHW-AREMUKBSSA-N	-1	0	491.012	5.969	40	0		JKABRM
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000216378268	569878549	/nfs/dbraw/zinc/87/85/49/569878549.db2.gz	BNLVQAACTDZMPN-UHFFFAOYSA-N	-1	0	456.995	5.338	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccccc1	ZINC000216379603	569878570	/nfs/dbraw/zinc/87/85/70/569878570.db2.gz	VCUQKAXBVRIIFL-NRFANRHFSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(C)cc1	ZINC000216380302	569878649	/nfs/dbraw/zinc/87/86/49/569878649.db2.gz	PYBBQWVKZMAIKL-JOCHJYFZSA-N	-1	0	471.022	5.947	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccc(C)cc1	ZINC000216380346	569878651	/nfs/dbraw/zinc/87/86/51/569878651.db2.gz	PYBBQWVKZMAIKL-QFIPXVFZSA-N	-1	0	471.022	5.947	40	0		JKABRM
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	ZINC000216471803	569878982	/nfs/dbraw/zinc/87/89/82/569878982.db2.gz	MDNXADYZRRZEQR-JOCHJYFZSA-N	-1	0	472.994	5.554	40	0		JKABRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(I)c3)N21	ZINC000222687851	569888512	/nfs/dbraw/zinc/88/85/12/569888512.db2.gz	QPYSRKPVSHEWSD-KNXALSJPSA-N	-1	0	485.778	5.025	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)N21	ZINC000222715798	569889370	/nfs/dbraw/zinc/88/93/70/569889370.db2.gz	QDKADQGGDWOSRE-XMDBHEJHSA-N	-1	0	453.951	5.673	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1	ZINC000222747397	569890125	/nfs/dbraw/zinc/89/01/25/569890125.db2.gz	LZVVNZNYKAWARE-UHFFFAOYSA-N	-1	0	483.040	5.055	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)s1)c1ccccc1	ZINC000222830174	569892124	/nfs/dbraw/zinc/89/21/24/569892124.db2.gz	IUAMGNCCJVCQFP-UHFFFAOYSA-N	-1	0	494.642	5.059	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1	ZINC000222934222	569894818	/nfs/dbraw/zinc/89/48/18/569894818.db2.gz	RLZNODXGJYNWAI-SFHVURJKSA-N	-1	0	483.033	5.819	40	0		JKABRM
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222985802	569896190	/nfs/dbraw/zinc/89/61/90/569896190.db2.gz	XMGSAICIFOAKBF-LEWJYISDSA-N	-1	0	455.967	5.466	40	0		JKABRM
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222985747	569896200	/nfs/dbraw/zinc/89/62/00/569896200.db2.gz	XMGSAICIFOAKBF-RTWAWAEBSA-N	-1	0	455.967	5.466	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000223022604	569897087	/nfs/dbraw/zinc/89/70/87/569897087.db2.gz	KGPQZRGUDWTDGU-QGZVFWFLSA-N	-1	0	456.995	5.503	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1	ZINC000223118061	569899961	/nfs/dbraw/zinc/89/99/61/569899961.db2.gz	OPHOPNXWBOJXDZ-ZEQRLZLVSA-N	-1	0	461.587	5.653	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1	ZINC000223118589	569899967	/nfs/dbraw/zinc/89/99/67/569899967.db2.gz	UUEBXGGGCRNQHF-GOTSBHOMSA-N	-1	0	482.005	5.998	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2nnc(SCC(C)C)s2)ccc1Cl	ZINC000223180521	569902352	/nfs/dbraw/zinc/90/23/52/569902352.db2.gz	DARIPDXPQHBYJA-UHFFFAOYSA-N	-1	0	497.067	5.301	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1	ZINC000223181464	569902368	/nfs/dbraw/zinc/90/23/68/569902368.db2.gz	VNFREKHZGBGMQA-UHFFFAOYSA-N	-1	0	456.995	5.196	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c1C	ZINC000223183353	569902553	/nfs/dbraw/zinc/90/25/53/569902553.db2.gz	HLDZSOADLBCHQP-SFHVURJKSA-N	-1	0	483.033	5.737	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c(C)c1	ZINC000223183572	569902556	/nfs/dbraw/zinc/90/25/56/569902556.db2.gz	OQRIADOUBWKSNK-GOSISDBHSA-N	-1	0	483.033	5.737	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223364467	569908946	/nfs/dbraw/zinc/90/89/46/569908946.db2.gz	XFZQQBVINPOQJR-XZOQPEGZSA-N	-1	0	459.527	5.114	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223400223	569909900	/nfs/dbraw/zinc/90/99/00/569909900.db2.gz	FLSAJSUZLPPHLF-BJKOFHAPSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223400399	569909920	/nfs/dbraw/zinc/90/99/20/569909920.db2.gz	CSCGTCWMGBOKOY-RPWUZVMVSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223400184	569909930	/nfs/dbraw/zinc/90/99/30/569909930.db2.gz	FLSAJSUZLPPHLF-RPWUZVMVSA-N	-1	0	455.539	5.213	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c1	ZINC000223428097	569910995	/nfs/dbraw/zinc/91/09/95/569910995.db2.gz	QZJQZJDGFFUUHN-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1C	ZINC000223427850	569911022	/nfs/dbraw/zinc/91/10/22/569911022.db2.gz	YPUAUKCTNVKSPS-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c1	ZINC000223428652	569911070	/nfs/dbraw/zinc/91/10/70/569911070.db2.gz	WLLBVWVHCHDEBA-FQEVSTJZSA-N	-1	0	485.049	6.174	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223438277	569911434	/nfs/dbraw/zinc/91/14/34/569911434.db2.gz	VWFHNSHKHFINOQ-DQEYMECFSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223438029	569911451	/nfs/dbraw/zinc/91/14/51/569911451.db2.gz	QFKOELONDUUFRR-DQEYMECFSA-N	-1	0	485.565	5.221	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc4ccccc43)ccc2Cl)cc1	ZINC000223529476	569914693	/nfs/dbraw/zinc/91/46/93/569914693.db2.gz	ARQQTNDZBRSOIW-UHFFFAOYSA-N	-1	0	495.000	5.411	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1	ZINC000223556466	569915908	/nfs/dbraw/zinc/91/59/08/569915908.db2.gz	SNSBRSSKSFLEQV-PKTZIBPZSA-N	-1	0	490.972	5.261	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc3ccccc3c2)ccc1Cl	ZINC000223602310	569917540	/nfs/dbraw/zinc/91/75/40/569917540.db2.gz	KVYUILBKIJRAME-UHFFFAOYSA-N	-1	0	495.000	5.411	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1	ZINC000223765054	569922576	/nfs/dbraw/zinc/92/25/76/569922576.db2.gz	ZPJRDWRHTCFDIM-UHFFFAOYSA-N	-1	0	471.022	5.504	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223778150	569923017	/nfs/dbraw/zinc/92/30/17/569923017.db2.gz	GULOVNWKMDEABQ-LOSJGSFVSA-N	-1	0	485.565	5.534	40	0		JKABRM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3cc(Br)ccc3OC)ccc21	ZINC000223785696	569923280	/nfs/dbraw/zinc/92/32/80/569923280.db2.gz	YGPBRCSOUQYIRT-UHFFFAOYSA-N	-1	0	459.365	5.386	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)s1)c1ccccc1Cl	ZINC000223824867	569924377	/nfs/dbraw/zinc/92/43/77/569924377.db2.gz	BRIIWAUCKXBOKG-UHFFFAOYSA-N	-1	0	486.962	5.037	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000223829571	569924582	/nfs/dbraw/zinc/92/45/82/569924582.db2.gz	UOCAIXFJFOCBDN-DQEYMECFSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCC1(CC)C[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000223838700	569924762	/nfs/dbraw/zinc/92/47/62/569924762.db2.gz	ARJMLUBFJWORCC-HSZRJFAPSA-N	-1	0	464.587	5.300	40	0		JKABRM
CCC1(CC)C[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc2O1	ZINC000223838760	569924783	/nfs/dbraw/zinc/92/47/83/569924783.db2.gz	ARJMLUBFJWORCC-QHCPKHFHSA-N	-1	0	464.587	5.300	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223876199	569925855	/nfs/dbraw/zinc/92/58/55/569925855.db2.gz	BSZSUODGWMXYGC-BJKOFHAPSA-N	-1	0	471.538	5.231	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2OC)ccc1C	ZINC000223884157	569926190	/nfs/dbraw/zinc/92/61/90/569926190.db2.gz	ZLGJLWXGCZZYQN-UHFFFAOYSA-N	-1	0	461.923	5.037	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223911883	569927016	/nfs/dbraw/zinc/92/70/16/569927016.db2.gz	ODGZSJALSZDASS-RPBOFIJWSA-N	-1	0	484.581	5.283	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223911821	569927034	/nfs/dbraw/zinc/92/70/34/569927034.db2.gz	ODGZSJALSZDASS-DQEYMECFSA-N	-1	0	484.581	5.283	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223912154	569927040	/nfs/dbraw/zinc/92/70/40/569927040.db2.gz	LKCOSUHMNGXGHX-RPBOFIJWSA-N	-1	0	484.581	5.283	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1	ZINC000223914295	569927091	/nfs/dbraw/zinc/92/70/91/569927091.db2.gz	IKUIJCATJYKTNZ-IZZNHLLZSA-N	-1	0	498.608	5.591	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2Cl)c1	ZINC000223922592	569927415	/nfs/dbraw/zinc/92/74/15/569927415.db2.gz	SHRJGLIFHCPGJA-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2Cl)c1C	ZINC000223962724	569928541	/nfs/dbraw/zinc/92/85/41/569928541.db2.gz	KJRJTFLDAKTGNW-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)cc3C)ccc2Cl)c(C)c1	ZINC000223966141	569928761	/nfs/dbraw/zinc/92/87/61/569928761.db2.gz	NNDUWVXGVZKYPI-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)c1	ZINC000223967116	569928823	/nfs/dbraw/zinc/92/88/23/569928823.db2.gz	FQSNUHNZEFSGAC-UHFFFAOYSA-N	-1	0	451.032	5.702	40	0		JKABRM
Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1	ZINC000223968372	569928877	/nfs/dbraw/zinc/92/88/77/569928877.db2.gz	RRZUVPQATRRPBT-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2Cl)cc1C	ZINC000223969467	569928888	/nfs/dbraw/zinc/92/88/88/569928888.db2.gz	KSLNKXIAGBMQEL-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
COCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000223968707	569928891	/nfs/dbraw/zinc/92/88/91/569928891.db2.gz	RNOQDUUITMGSTM-UHFFFAOYSA-N	-1	0	458.967	5.156	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2Cl)cc1C	ZINC000223969987	569928930	/nfs/dbraw/zinc/92/89/30/569928930.db2.gz	QASFGAAEPSMAGG-GOSISDBHSA-N	-1	0	456.995	5.291	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000223977348	569929174	/nfs/dbraw/zinc/92/91/74/569929174.db2.gz	ACXUHGTUKWFPDH-UHFFFAOYSA-N	-1	0	485.049	5.812	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223990483	569929650	/nfs/dbraw/zinc/92/96/50/569929650.db2.gz	QXBDXMFOEJQBJJ-LOSJGSFVSA-N	-1	0	498.564	5.175	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223990533	569929659	/nfs/dbraw/zinc/92/96/59/569929659.db2.gz	QXBDXMFOEJQBJJ-JWQCQUIFSA-N	-1	0	498.564	5.175	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223991036	569929684	/nfs/dbraw/zinc/92/96/84/569929684.db2.gz	AJZFPRABZFWCOI-JWQCQUIFSA-N	-1	0	498.564	5.175	40	0		JKABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)s1	ZINC000224131353	569934105	/nfs/dbraw/zinc/93/41/05/569934105.db2.gz	XVLFYLBEFLUYFJ-UHFFFAOYSA-N	-1	0	496.639	5.192	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1	ZINC000224184733	569935639	/nfs/dbraw/zinc/93/56/39/569935639.db2.gz	WJBBJIIDIOJIMS-GOTSBHOMSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224212724	569936736	/nfs/dbraw/zinc/93/67/36/569936736.db2.gz	CBWYSLQJWOFFEY-DNQXCXABSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224245203	569937915	/nfs/dbraw/zinc/93/79/15/569937915.db2.gz	SHDSKKUVVGNJIB-BJKOFHAPSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224248713	569938083	/nfs/dbraw/zinc/93/80/83/569938083.db2.gz	LYMHQEJCYPRXSG-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224250682	569938110	/nfs/dbraw/zinc/93/81/10/569938110.db2.gz	OJLXXRKOEQLZDV-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1C	ZINC000224278299	569938999	/nfs/dbraw/zinc/93/89/99/569938999.db2.gz	BYEGUTVEYCDRAN-RPBOFIJWSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1C	ZINC000224278112	569939020	/nfs/dbraw/zinc/93/90/20/569939020.db2.gz	ZPVXISSJWIRZNA-RPBOFIJWSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C	ZINC000224283297	569939233	/nfs/dbraw/zinc/93/92/33/569939233.db2.gz	KAHIQJZGDXUPBA-FTJBHMTQSA-N	-1	0	483.593	6.142	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224313088	569940068	/nfs/dbraw/zinc/94/00/68/569940068.db2.gz	LSSCDCTVVOJINL-JWQCQUIFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224316277	569940252	/nfs/dbraw/zinc/94/02/52/569940252.db2.gz	WEJGDYUIWLMKEJ-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224345338	569941305	/nfs/dbraw/zinc/94/13/05/569941305.db2.gz	IHFGCJPPZKVBCU-RPBOFIJWSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224345466	569941319	/nfs/dbraw/zinc/94/13/19/569941319.db2.gz	LEFTWBCPANNYRT-DQEYMECFSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224350752	569941569	/nfs/dbraw/zinc/94/15/69/569941569.db2.gz	VMPUZSFXSSHWGP-CLJLJLNGSA-N	-1	0	483.593	6.088	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224380730	569942599	/nfs/dbraw/zinc/94/25/99/569942599.db2.gz	OSDZHBVUQXTWMS-UIOOFZCWSA-N	-1	0	483.593	6.340	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224381264	569942665	/nfs/dbraw/zinc/94/26/65/569942665.db2.gz	IVFAJLYASFCRFF-CLJLJLNGSA-N	-1	0	483.593	6.340	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224414402	569943845	/nfs/dbraw/zinc/94/38/45/569943845.db2.gz	WZQHHGSPIKUUGO-RPWUZVMVSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224414879	569943910	/nfs/dbraw/zinc/94/39/10/569943910.db2.gz	WCZLNPHHQYTFHA-GOTSBHOMSA-N	-1	0	493.947	6.009	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445763	569944752	/nfs/dbraw/zinc/94/47/52/569944752.db2.gz	PSKZRLYPWOLYHS-PKTZIBPZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224446054	569944776	/nfs/dbraw/zinc/94/47/76/569944776.db2.gz	YACZQVLADUNLKG-GOTSBHOMSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445847	569944811	/nfs/dbraw/zinc/94/48/11/569944811.db2.gz	PSKZRLYPWOLYHS-GOTSBHOMSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1	ZINC000224474208	569945499	/nfs/dbraw/zinc/94/54/99/569945499.db2.gz	ZPYQKUGWHULCOH-GOTSBHOMSA-N	-1	0	474.973	5.401	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224478937	569945742	/nfs/dbraw/zinc/94/57/42/569945742.db2.gz	YFPNJOKYGRCYRH-RPWUZVMVSA-N	-1	0	489.984	6.179	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224548317	569948020	/nfs/dbraw/zinc/94/80/20/569948020.db2.gz	UCKRKUQTVKLSGG-LOSJGSFVSA-N	-1	0	485.565	5.534	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000224581961	569949450	/nfs/dbraw/zinc/94/94/50/569949450.db2.gz	CSMWFAJELIWZFG-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000224582328	569949452	/nfs/dbraw/zinc/94/94/52/569949452.db2.gz	WELJGMPZWQUEIO-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224620069	569951080	/nfs/dbraw/zinc/95/10/80/569951080.db2.gz	ITTHWWWZMNWDEM-GOTSBHOMSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)c1C	ZINC000224869528	569961051	/nfs/dbraw/zinc/96/10/51/569961051.db2.gz	YQXDMXGMPGRXEH-UHFFFAOYSA-N	-1	0	498.910	5.909	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224878740	569961532	/nfs/dbraw/zinc/96/15/32/569961532.db2.gz	OUPSKFBLJWJXTA-XZOQPEGZSA-N	-1	0	490.972	5.107	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881668	569961714	/nfs/dbraw/zinc/96/17/14/569961714.db2.gz	FONLLKZOHIIMFS-XZOQPEGZSA-N	-1	0	491.956	5.576	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224881885	569961768	/nfs/dbraw/zinc/96/17/68/569961768.db2.gz	TULMGPQOHZVSDY-GOTSBHOMSA-N	-1	0	491.956	5.576	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881707	569961771	/nfs/dbraw/zinc/96/17/71/569961771.db2.gz	FONLLKZOHIIMFS-GOTSBHOMSA-N	-1	0	491.956	5.576	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224881767	569961780	/nfs/dbraw/zinc/96/17/80/569961780.db2.gz	TULMGPQOHZVSDY-DHIUTWEWSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1F	ZINC000224910878	569962990	/nfs/dbraw/zinc/96/29/90/569962990.db2.gz	HDFMPWMLAILVIJ-ZEQRLZLVSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1F	ZINC000224911134	569963071	/nfs/dbraw/zinc/96/30/71/569963071.db2.gz	SSLIDHPDSSJIBT-BJKOFHAPSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2Cl)c1	ZINC000224911999	569963138	/nfs/dbraw/zinc/96/31/38/569963138.db2.gz	JICUKKVYJLZWRA-UHFFFAOYSA-N	-1	0	469.994	5.302	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1	ZINC000224986181	569967416	/nfs/dbraw/zinc/96/74/16/569967416.db2.gz	KHYKDIHTUFVPSF-UHFFFAOYSA-N	-1	0	488.993	5.254	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000225009027	569968949	/nfs/dbraw/zinc/96/89/49/569968949.db2.gz	LBSLCJMIEVFYQY-KRWDZBQOSA-N	-1	0	456.995	5.503	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000225008994	569968957	/nfs/dbraw/zinc/96/89/57/569968957.db2.gz	LBSLCJMIEVFYQY-QGZVFWFLSA-N	-1	0	456.995	5.503	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2Cl)cc1	ZINC000408602061	569969361	/nfs/dbraw/zinc/96/93/61/569969361.db2.gz	CBXRBFSFWLRNKE-UHFFFAOYSA-N	-1	0	498.048	5.028	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408602892	569969652	/nfs/dbraw/zinc/96/96/52/569969652.db2.gz	BGTDOPXVNGUYSP-UHFFFAOYSA-N	-1	0	490.781	6.391	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1	ZINC000225029322	569970224	/nfs/dbraw/zinc/97/02/24/569970224.db2.gz	LABLZNQULWHTAB-YADHBBJMSA-N	-1	0	467.978	5.608	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1	ZINC000225029284	569970253	/nfs/dbraw/zinc/97/02/53/569970253.db2.gz	LABLZNQULWHTAB-FGZHOGPDSA-N	-1	0	467.978	5.608	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccccc1F	ZINC000408605437	569970673	/nfs/dbraw/zinc/97/06/73/569970673.db2.gz	HFJYOGWLDAKHHP-UHFFFAOYSA-N	-1	0	474.326	5.876	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2Cl)c1	ZINC000408606567	569971261	/nfs/dbraw/zinc/97/12/61/569971261.db2.gz	KTSULHPPQCTGOJ-GOSISDBHSA-N	-1	0	456.995	5.200	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225052862	569972029	/nfs/dbraw/zinc/97/20/29/569972029.db2.gz	RIMRGXBQOSYTQY-UIOOFZCWSA-N	-1	0	497.624	5.045	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225056128	569972281	/nfs/dbraw/zinc/97/22/81/569972281.db2.gz	LFULGFIHMPQTIP-IZZNHLLZSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055737	569972297	/nfs/dbraw/zinc/97/22/97/569972297.db2.gz	BFYIUTCCDMPNEP-FTJBHMTQSA-N	-1	0	498.608	5.515	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	ZINC000408612532	569973065	/nfs/dbraw/zinc/97/30/65/569973065.db2.gz	SCRQHLSGXADOTB-UHFFFAOYSA-N	-1	0	475.328	5.330	40	0		JKABRM
Cc1cccc(NC(=O)COc2ccc(Br)cc2CNc2cccc(C(=O)[O-])c2)c1	ZINC000408612635	569973158	/nfs/dbraw/zinc/97/31/58/569973158.db2.gz	TWPKKYXUQMTDTB-UHFFFAOYSA-N	-1	0	469.335	5.085	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2Cl)c1	ZINC000408615969	569975137	/nfs/dbraw/zinc/97/51/37/569975137.db2.gz	DKJVDRHACRVXJA-UHFFFAOYSA-N	-1	0	498.048	5.028	40	0		JKABRM
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408615928	569975145	/nfs/dbraw/zinc/97/51/45/569975145.db2.gz	DANUTAYMCFLXMV-UHFFFAOYSA-N	-1	0	498.004	5.019	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2Cl)c1	ZINC000225128912	569976891	/nfs/dbraw/zinc/97/68/91/569976891.db2.gz	OSXNMDZZFQOXIL-UHFFFAOYSA-N	-1	0	497.067	5.362	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1NC(=O)c1ccc(Cl)cc1	ZINC000408618984	569977128	/nfs/dbraw/zinc/97/71/28/569977128.db2.gz	HINHOPZXDSVZGS-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1	ZINC000408623003	569979103	/nfs/dbraw/zinc/97/91/03/569979103.db2.gz	OMBIFRVPQIILML-UHFFFAOYSA-N	-1	0	465.358	5.364	40	0		JKABRM
COc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c(OC)cc1Cl	ZINC000408625470	569980157	/nfs/dbraw/zinc/98/01/57/569980157.db2.gz	VGUXLUVTOWILQV-UHFFFAOYSA-N	-1	0	481.357	5.064	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2Cl)c1	ZINC000408627714	569981263	/nfs/dbraw/zinc/98/12/63/569981263.db2.gz	PCMQHCLAFODWDY-IBGZPJMESA-N	-1	0	471.022	5.509	40	0		JKABRM
COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000225198406	569982015	/nfs/dbraw/zinc/98/20/15/569982015.db2.gz	PFJWYLVOYOGEBO-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OC(C)C)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408630532	569982362	/nfs/dbraw/zinc/98/23/62/569982362.db2.gz	BDQTWWSQGJPVHJ-GRSHGNNSSA-N	-1	0	475.954	5.147	40	0		JKABRM
CCCc1nc(SC(=Cc2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408630492	569982374	/nfs/dbraw/zinc/98/23/74/569982374.db2.gz	AJTLADYKPCCZJE-BKUYFWCQSA-N	-1	0	450.539	5.426	40	0		JKABRM
CCn1c(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408630687	569982455	/nfs/dbraw/zinc/98/24/55/569982455.db2.gz	ADZOBQMLOTZBIT-BKUYFWCQSA-N	-1	0	466.994	6.372	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Cl)ccc2OC(C)C)C(=O)[O-])n[nH]1	ZINC000408630890	569982622	/nfs/dbraw/zinc/98/26/22/569982622.db2.gz	DNOJFDZLEMVTOY-GIJQJNRQSA-N	-1	0	480.373	5.792	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631149	569982697	/nfs/dbraw/zinc/98/26/97/569982697.db2.gz	FHXROSXVTJLJDB-NDENLUEZSA-N	-1	0	497.418	5.741	40	0		JKABRM
CCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1	ZINC000408631340	569982811	/nfs/dbraw/zinc/98/28/11/569982811.db2.gz	HTXWUZFPJBWMSB-IUXPMGMMSA-N	-1	0	484.792	6.124	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631155	569982825	/nfs/dbraw/zinc/98/28/25/569982825.db2.gz	CKCDESICJNLXPP-RGEXLXHISA-N	-1	0	484.002	6.580	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000408631176	569982860	/nfs/dbraw/zinc/98/28/60/569982860.db2.gz	FRYPUBXBEJYNBL-MOSHPQCFSA-N	-1	0	473.982	5.606	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCC(C)C)cc2)C(=O)[O-])n[nH]1	ZINC000408631560	569983067	/nfs/dbraw/zinc/98/30/67/569983067.db2.gz	KHYAMPOYDKOHOA-VXLYETTFSA-N	-1	0	459.955	5.386	40	0		JKABRM
CCc1nnc(S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])o1	ZINC000408631661	569983113	/nfs/dbraw/zinc/98/31/13/569983113.db2.gz	LCHCZUZBCZZDEF-JAIQZWGSSA-N	-1	0	488.396	6.468	40	0		JKABRM
COc1ccc(Br)cc1C=C(Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-]	ZINC000408631625	569983122	/nfs/dbraw/zinc/98/31/22/569983122.db2.gz	KVWBAILSKKGQDJ-PXNMLYILSA-N	-1	0	496.770	5.123	40	0		JKABRM
Cc1ccc(COc2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])cc2)cc1	ZINC000408631685	569983222	/nfs/dbraw/zinc/98/32/22/569983222.db2.gz	AJTUKXLAAGKKHR-HMAPJEAMSA-N	-1	0	477.973	6.230	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc(Cl)c1OC	ZINC000408631777	569983232	/nfs/dbraw/zinc/98/32/32/569983232.db2.gz	GIYNZDIODAQGFW-MFOYZWKCSA-N	-1	0	497.356	5.677	40	0		JKABRM
O=C([O-])/C(=C/c1c(OCc2ccccc2F)ccc2ccccc21)Sc1nc2ccccc2o1	ZINC000408631686	569983239	/nfs/dbraw/zinc/98/32/39/569983239.db2.gz	AKAWSTHUNCDRDM-MYYYXRDXSA-N	-1	0	471.509	6.917	40	0		JKABRM
Cc1nc(-c2cccc(NC(=S)N[C@@H](CC(=O)[O-])c3ccc(Cl)cc3Cl)c2)cs1	ZINC000225219335	569983254	/nfs/dbraw/zinc/98/32/54/569983254.db2.gz	HALHQYYMVNNNPQ-KRWDZBQOSA-N	-1	0	466.415	5.928	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(C)c(Br)c3)C(=O)[O-])o2)c1	ZINC000408631835	569983335	/nfs/dbraw/zinc/98/33/35/569983335.db2.gz	GRLQZQRSTJLTPD-IDUWFGFVSA-N	-1	0	477.336	5.043	40	0		JKABRM
CCc1nc(SC(=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631881	569983357	/nfs/dbraw/zinc/98/33/57/569983357.db2.gz	MTINLIHANCFGNF-NDENLUEZSA-N	-1	0	497.418	5.659	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000408632083	569983466	/nfs/dbraw/zinc/98/34/66/569983466.db2.gz	NQQAMTHGPDHMJD-NVMNQCDNSA-N	-1	0	467.330	5.490	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccccc2Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632068	569983486	/nfs/dbraw/zinc/98/34/86/569983486.db2.gz	DBGSPCZLHGTLOZ-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
O=C([O-])C[C@@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccc(Cl)cc1Cl	ZINC000225222201	569983554	/nfs/dbraw/zinc/98/35/54/569983554.db2.gz	JMFVYDOPMDPQFM-MRXNPFEDSA-N	-1	0	463.346	5.078	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2cccc(Cl)c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632344	569983623	/nfs/dbraw/zinc/98/36/23/569983623.db2.gz	DPNXENMDMIUXFR-WQRHYEAKSA-N	-1	0	459.310	6.521	40	0		JKABRM
CCCCOc1ccc2ccccc2c1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408632411	569983760	/nfs/dbraw/zinc/98/37/60/569983760.db2.gz	FRKWGPNKAMVHAL-JCMHNJIXSA-N	-1	0	479.989	6.675	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])n[nH]1	ZINC000408632501	569983796	/nfs/dbraw/zinc/98/37/96/569983796.db2.gz	QOENSCDGDBBXLT-WQRHYEAKSA-N	-1	0	464.374	5.861	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408632579	569983824	/nfs/dbraw/zinc/98/38/24/569983824.db2.gz	RNVPSCUOJIRPKS-HAHDFKILSA-N	-1	0	475.570	5.716	40	0		JKABRM
CCn1c(S/C(=C\c2cccc(Cl)c2Cl)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408632525	569983865	/nfs/dbraw/zinc/98/38/65/569983865.db2.gz	JKQYQWPBVXAYBL-YVLHZVERSA-N	-1	0	480.373	5.507	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Br)cc1)Sc1nc2ccccc2o1	ZINC000408632672	569983901	/nfs/dbraw/zinc/98/39/01/569983901.db2.gz	GRKFZBVHPPNCLS-BKUYFWCQSA-N	-1	0	482.355	6.387	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632651	569983914	/nfs/dbraw/zinc/98/39/14/569983914.db2.gz	GKMQXYIQOYPMPK-WQRHYEAKSA-N	-1	0	459.310	6.521	40	0		JKABRM
CCc1nc(SC(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408632876	569983995	/nfs/dbraw/zinc/98/39/95/569983995.db2.gz	UNUSCAKGEPQLNK-GRSHGNNSSA-N	-1	0	473.385	5.895	40	0		JKABRM
COc1ccc(Br)cc1C=C(Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000408632924	569984190	/nfs/dbraw/zinc/98/41/90/569984190.db2.gz	HPMDWRSWMPXJLF-DHDCSXOGSA-N	-1	0	466.744	5.114	40	0		JKABRM
Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2Cl)n1	ZINC000225229035	569984327	/nfs/dbraw/zinc/98/43/27/569984327.db2.gz	JSNGMFXXAKVYBU-QGZVFWFLSA-N	-1	0	494.379	5.477	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccccc1F	ZINC000408633222	569984340	/nfs/dbraw/zinc/98/43/40/569984340.db2.gz	JBQIYIJVOLKCJU-OYKKKHCWSA-N	-1	0	457.530	6.231	40	0		JKABRM
CCc1nnc(S/C(=C\c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[O-])o1	ZINC000408633275	569984385	/nfs/dbraw/zinc/98/43/85/569984385.db2.gz	XLMRNSHVNXBEGK-UCQKPKSFSA-N	-1	0	455.539	6.006	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408633376	569984396	/nfs/dbraw/zinc/98/43/96/569984396.db2.gz	KFGWFNGIHOLCKT-UCQKPKSFSA-N	-1	0	480.973	6.412	40	0		JKABRM
COc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1Cl	ZINC000408633534	569984522	/nfs/dbraw/zinc/98/45/22/569984522.db2.gz	ZOHNYRCUMRHUHA-LZYBPNLTSA-N	-1	0	452.319	5.014	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(Br)s2)C(=O)[O-])n[nH]1	ZINC000408633516	569984539	/nfs/dbraw/zinc/98/45/39/569984539.db2.gz	ZDXJIDLSMIHIGN-GHXNOFRVSA-N	-1	0	472.773	5.176	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633583	569984553	/nfs/dbraw/zinc/98/45/53/569984553.db2.gz	KQTUHESPSFQNRQ-BOPFTXTBSA-N	-1	0	491.377	7.005	40	0		JKABRM
CCc1nc(SC(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])n[nH]1	ZINC000408633440	569984596	/nfs/dbraw/zinc/98/45/96/569984596.db2.gz	YKGJUSYPEOTNLC-BKUYFWCQSA-N	-1	0	465.962	5.971	40	0		JKABRM
CCc1nc(SC(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)[O-])n[nH]1	ZINC000408633547	569984598	/nfs/dbraw/zinc/98/45/98/569984598.db2.gz	ZYECURSHFANJPJ-YVLHZVERSA-N	-1	0	450.347	5.471	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[O-])n[nH]1	ZINC000408633483	569984604	/nfs/dbraw/zinc/98/46/04/569984604.db2.gz	YXJSMMZKNXLBNA-ZDLGFXPLSA-N	-1	0	464.374	5.861	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)[O-])o1	ZINC000408633854	569984810	/nfs/dbraw/zinc/98/48/10/569984810.db2.gz	PZZTWHIUTJCUQR-JMIUGGIZSA-N	-1	0	482.949	5.419	40	0		JKABRM
CN(C)c1oc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br	ZINC000408633921	569984838	/nfs/dbraw/zinc/98/48/38/569984838.db2.gz	NKIMBNUXELTZBK-JYRVWZFOSA-N	-1	0	470.732	5.029	40	0		JKABRM
COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])ccc1OCc1ccccc1	ZINC000408633919	569984840	/nfs/dbraw/zinc/98/48/40/569984840.db2.gz	NJGFUGAPMHUYIU-HMAPJEAMSA-N	-1	0	493.972	5.931	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408633847	569984842	/nfs/dbraw/zinc/98/48/42/569984842.db2.gz	MLFXSIDZTFKFJG-QQXSKIMKSA-N	-1	0	483.545	6.786	40	0		JKABRM
CCn1c(S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408634033	569984899	/nfs/dbraw/zinc/98/48/99/569984899.db2.gz	REBFWTIUGUZXPB-QRVIBDJDSA-N	-1	0	497.617	5.640	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408633997	569984903	/nfs/dbraw/zinc/98/49/03/569984903.db2.gz	QUXCPBGEKOEJTF-MOSHPQCFSA-N	-1	0	495.582	5.759	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccccc1Cl	ZINC000408634069	569984929	/nfs/dbraw/zinc/98/49/29/569984929.db2.gz	OOHCSMQXDWUWCY-OYKKKHCWSA-N	-1	0	473.985	6.746	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccccc1F	ZINC000408634103	569984941	/nfs/dbraw/zinc/98/49/41/569984941.db2.gz	PBUMOMKSCGXSSE-XKZIYDEJSA-N	-1	0	451.475	5.772	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1OC	ZINC000408634204	569985071	/nfs/dbraw/zinc/98/50/71/569985071.db2.gz	SAOLTGXPHJFWKS-ZDLGFXPLSA-N	-1	0	462.911	5.024	40	0		JKABRM
CC(C)Oc1ccc(Cl)cc1/C=C(/Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000408634409	569985129	/nfs/dbraw/zinc/98/51/29/569985129.db2.gz	QWESVACWGOCHKL-LICLKQGHSA-N	-1	0	451.331	6.048	40	0		JKABRM
O=C([O-])C(=Cc1cccn1-c1ccc(Cl)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634404	569985132	/nfs/dbraw/zinc/98/51/32/569985132.db2.gz	QTUQMJSBAWJIHA-PDGQHHTCSA-N	-1	0	457.342	5.787	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408634421	569985142	/nfs/dbraw/zinc/98/51/42/569985142.db2.gz	QZOIBWDTQZUULM-KSEXSDGBSA-N	-1	0	494.403	7.091	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OCc4ccccc4)cc3)C(=O)[O-])n[nH]2)c1	ZINC000408634519	569985161	/nfs/dbraw/zinc/98/51/61/569985161.db2.gz	VQYDRTJQSFMNRS-FMCGGJTJSA-N	-1	0	489.553	5.286	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)Sc1nc2ccccc2o1	ZINC000408634621	569985288	/nfs/dbraw/zinc/98/52/88/569985288.db2.gz	SNMUJWNXMKFWCI-NHDPSOOVSA-N	-1	0	472.349	6.931	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(O)c(Br)c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634638	569985313	/nfs/dbraw/zinc/98/53/13/569985313.db2.gz	SXSRRNUBGOEEDE-ZSOIEALJSA-N	-1	0	453.701	5.076	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4ccc(Cl)cc4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408634855	569985391	/nfs/dbraw/zinc/98/53/91/569985391.db2.gz	XHOASRNDDQVOKN-NDENLUEZSA-N	-1	0	483.933	5.620	40	0		JKABRM
CCOc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Br	ZINC000408634810	569985393	/nfs/dbraw/zinc/98/53/93/569985393.db2.gz	UZHSIMRIYNJODX-YBEGLDIGSA-N	-1	0	480.771	5.504	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3c4ccccc4[nH]c3-c3ccccc3)C(=O)[O-])n[nH]2)c1	ZINC000408634881	569985408	/nfs/dbraw/zinc/98/54/08/569985408.db2.gz	XOSQQLAYIXIKED-HAHDFKILSA-N	-1	0	498.564	5.855	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634830	569985410	/nfs/dbraw/zinc/98/54/10/569985410.db2.gz	VGNTYXSTBGWBKC-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cccc(OCc4ccccc4)c3)C(=O)[O-])n[nH]2)c1	ZINC000408634910	569985427	/nfs/dbraw/zinc/98/54/27/569985427.db2.gz	XWUVOWGBSPFMRA-FMCGGJTJSA-N	-1	0	489.553	5.286	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccccc2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635001	569985539	/nfs/dbraw/zinc/98/55/39/569985539.db2.gz	WIUYWWVXLCOFMG-STZFKDTASA-N	-1	0	464.930	6.187	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)c1	ZINC000225316500	569990185	/nfs/dbraw/zinc/99/01/85/569990185.db2.gz	OJHYHCMFBIQCDV-UHFFFAOYSA-N	-1	0	493.006	5.622	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000225355377	569992557	/nfs/dbraw/zinc/99/25/57/569992557.db2.gz	FJAZNXKVSAHFQK-IZZNHLLZSA-N	-1	0	499.592	6.004	40	0		JKABRM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)ccc1Cl	ZINC000408651533	569994406	/nfs/dbraw/zinc/99/44/06/569994406.db2.gz	GQYOAZPCDIADJK-KVEMZPMDSA-N	-1	0	498.749	5.136	40	0		JKABRM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3nnc(NC(=O)c4cccc(C)c4)s3)ccc21	ZINC000225481762	569998827	/nfs/dbraw/zinc/99/88/27/569998827.db2.gz	DWXQRDPDSSHINJ-UHFFFAOYSA-N	-1	0	491.598	5.027	40	0		JKABRM
COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225589066	570008049	/nfs/dbraw/zinc/00/80/49/570008049.db2.gz	PWOUHRSFYLGPIH-SKRFAOSISA-N	-1	0	467.587	5.318	40	0		JKABRM
Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	ZINC000408679871	570011988	/nfs/dbraw/zinc/01/19/88/570011988.db2.gz	MCHDIAPDCQTCFO-KRWDZBQOSA-N	-1	0	492.519	5.529	40	0		JKABRM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccc(OC)cc3)cc2sc1=O	ZINC000225698419	570015847	/nfs/dbraw/zinc/01/58/47/570015847.db2.gz	QPKCITIZZFCFAP-UHFFFAOYSA-N	-1	0	490.990	5.338	40	0		JKABRM
COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc2c1	ZINC000225716471	570017093	/nfs/dbraw/zinc/01/70/93/570017093.db2.gz	ONPFQGGTOGNEAV-SFHVURJKSA-N	-1	0	460.555	5.140	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1	ZINC000225785751	570021588	/nfs/dbraw/zinc/02/15/88/570021588.db2.gz	SLSWFYHVJLVFBC-UHFFFAOYSA-N	-1	0	473.978	5.829	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225798616	570022182	/nfs/dbraw/zinc/02/21/82/570022182.db2.gz	IYCMWNMXKPCXFM-UHFFFAOYSA-N	-1	0	495.409	5.228	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)c1	ZINC000225817725	570023284	/nfs/dbraw/zinc/02/32/84/570023284.db2.gz	QPCKHYMBHRHTGP-UHFFFAOYSA-N	-1	0	469.946	6.104	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1	ZINC000225842920	570024276	/nfs/dbraw/zinc/02/42/76/570024276.db2.gz	UUAMMUFHSLRYIT-UHFFFAOYSA-N	-1	0	454.331	5.604	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCC(C)CC1	ZINC000408705879	570024777	/nfs/dbraw/zinc/02/47/77/570024777.db2.gz	PISPNINNBQRFSV-UHFFFAOYSA-N	-1	0	490.931	5.040	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1	ZINC000408748472	570033285	/nfs/dbraw/zinc/03/32/85/570033285.db2.gz	ATBJIHSXXSXJFC-GJZGRUSLSA-N	-1	0	495.453	6.725	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1	ZINC000408748981	570033368	/nfs/dbraw/zinc/03/33/68/570033368.db2.gz	DDDFPLVSWYNGBC-HZPDHXFCSA-N	-1	0	495.453	6.725	40	0		JKABRM
Cc1cc(C)c(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749384	570033568	/nfs/dbraw/zinc/03/35/68/570033568.db2.gz	GLSUMPOARUKEFR-RBUKOAKNSA-N	-1	0	468.644	6.343	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1C	ZINC000408749408	570033569	/nfs/dbraw/zinc/03/35/69/570033569.db2.gz	GOYTXEZIULPSID-RBUKOAKNSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1	ZINC000408749940	570033852	/nfs/dbraw/zinc/03/38/52/570033852.db2.gz	KALRIJRYNQORJY-QZTJIDSGSA-N	-1	0	483.615	5.165	40	0		JKABRM
O=C([O-])CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)NCc3ccccc3)cc2s1	ZINC000408750212	570033913	/nfs/dbraw/zinc/03/39/13/570033913.db2.gz	YAKDXJWVWXQKJK-UHFFFAOYSA-N	-1	0	491.594	5.045	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)cc1	ZINC000408750347	570033983	/nfs/dbraw/zinc/03/39/83/570033983.db2.gz	LSINPPRWWPOZIM-UHFFFAOYSA-N	-1	0	477.567	5.286	40	0		JKABRM
Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408750568	570034001	/nfs/dbraw/zinc/03/40/01/570034001.db2.gz	OVKKHYUYBZNLQQ-OALUTQOASA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408750569	570034039	/nfs/dbraw/zinc/03/40/39/570034039.db2.gz	OVKKHYUYBZNLQQ-RBUKOAKNSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750625	570034051	/nfs/dbraw/zinc/03/40/51/570034051.db2.gz	PMWIATXDTLNXHU-MSOLQXFVSA-N	-1	0	468.600	5.409	40	0		JKABRM
Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2s1	ZINC000408751081	570034306	/nfs/dbraw/zinc/03/43/06/570034306.db2.gz	WFECZEWSJMFMJC-DLBZAZTESA-N	-1	0	483.615	5.165	40	0		JKABRM
COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)cc1	ZINC000408751241	570034399	/nfs/dbraw/zinc/03/43/99/570034399.db2.gz	YDMMUOYYXHJJKC-UHFFFAOYSA-N	-1	0	450.541	5.548	40	0		JKABRM
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1C(=O)[O-]	ZINC000226858700	570039068	/nfs/dbraw/zinc/03/90/68/570039068.db2.gz	LLKDYKVXAUVVCL-UHFFFAOYSA-N	-1	0	452.315	5.593	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1	ZINC000408781893	570041840	/nfs/dbraw/zinc/04/18/40/570041840.db2.gz	FNSRISDGUBUZSA-KLKBWYFJSA-N	-1	0	490.581	5.134	40	0		JKABRM
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)S1	ZINC000408801532	570045762	/nfs/dbraw/zinc/04/57/62/570045762.db2.gz	UPHHLUMIBZWXJT-UHFFFAOYSA-N	-1	0	455.899	5.070	40	0		JKABRM
CCOc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408802179	570046043	/nfs/dbraw/zinc/04/60/43/570046043.db2.gz	YIFYKUQVTKBCMU-QTDGQVDASA-N	-1	0	495.621	5.603	40	0		JKABRM
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1	ZINC000408808558	570048399	/nfs/dbraw/zinc/04/83/99/570048399.db2.gz	JJJPHINWELBLOG-UHFFFAOYSA-N	-1	0	474.345	6.023	40	0		JKABRM
Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1	ZINC000408810492	570049009	/nfs/dbraw/zinc/04/90/09/570049009.db2.gz	KTTOWBSOUOMXBT-UHFFFAOYSA-N	-1	0	474.345	6.023	40	0		JKABRM
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S1	ZINC000408819022	570051443	/nfs/dbraw/zinc/05/14/43/570051443.db2.gz	WIOCQVVTUMWKEX-UHFFFAOYSA-N	-1	0	455.899	5.070	40	0		JKABRM
CCc1ccc(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])cc1	ZINC000408883943	570063812	/nfs/dbraw/zinc/06/38/12/570063812.db2.gz	XFXPXAYRIJGOFB-UHFFFAOYSA-N	-1	0	464.328	5.348	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1sc2ccccc2c1Cl	ZINC000408953310	570084474	/nfs/dbraw/zinc/08/44/74/570084474.db2.gz	XLJSQNNWVBISBD-UHFFFAOYSA-N	-1	0	459.354	6.078	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000408959594	570085305	/nfs/dbraw/zinc/08/53/05/570085305.db2.gz	BQCXUWCZAOSAJR-NHDPSOOVSA-N	-1	0	497.334	5.364	40	0		JKABRM
Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000408960211	570085540	/nfs/dbraw/zinc/08/55/40/570085540.db2.gz	JQVMQPOZIJGZDB-UCQKPKSFSA-N	-1	0	459.523	5.509	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000408961947	570086226	/nfs/dbraw/zinc/08/62/26/570086226.db2.gz	VXEQIXGMGMJKNY-MTJSOVHGSA-N	-1	0	497.334	5.364	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000408962164	570086373	/nfs/dbraw/zinc/08/63/73/570086373.db2.gz	QOYUUPDWAMZEOI-GRSHGNNSSA-N	-1	0	471.296	5.353	40	0		JKABRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000408970052	570088635	/nfs/dbraw/zinc/08/86/35/570088635.db2.gz	ZHUWCWAWOCKMSR-UHFFFAOYSA-N	-1	0	481.552	5.085	40	0		JKABRM
CCc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000408972762	570089052	/nfs/dbraw/zinc/08/90/52/570089052.db2.gz	WQMAXIMUVIKXQR-UHFFFAOYSA-N	-1	0	479.580	5.639	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccc(Br)cc1	ZINC000408974373	570089335	/nfs/dbraw/zinc/08/93/35/570089335.db2.gz	YMWHVSIZVYZKSR-UHFFFAOYSA-N	-1	0	492.167	5.081	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)o1	ZINC000408976074	570089779	/nfs/dbraw/zinc/08/97/79/570089779.db2.gz	PCJWXYDEZSTFSX-JJIBRWJFSA-N	-1	0	490.540	5.596	40	0		JKABRM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N=C(SCc2ccc(C(=O)[O-])cc2)N1	ZINC000408985956	570092235	/nfs/dbraw/zinc/09/22/35/570092235.db2.gz	BNCIYVSEOUPOAY-QHCPKHFHSA-N	-1	0	457.555	5.231	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)[O-])cc4[C@@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408989917	570093601	/nfs/dbraw/zinc/09/36/01/570093601.db2.gz	JJYLZWJAVYPGBJ-BKHJTQGXSA-N	-1	0	461.561	6.743	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)[O-])cc4[C@@H]4c5ccccc5C[C@H]43)cc2)cc1	ZINC000408989920	570093640	/nfs/dbraw/zinc/09/36/40/570093640.db2.gz	JJYLZWJAVYPGBJ-GGCFSWKVSA-N	-1	0	461.561	6.743	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)N2	ZINC000408993471	570094877	/nfs/dbraw/zinc/09/48/77/570094877.db2.gz	DGCCEPFIMKLMNZ-FPNNDXFKSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	ZINC000408994597	570095114	/nfs/dbraw/zinc/09/51/14/570095114.db2.gz	GSBXBJIZSVDZMP-RTFZILSDSA-N	-1	0	464.315	5.347	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)[O-])cccc4[C@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408995725	570095335	/nfs/dbraw/zinc/09/53/35/570095335.db2.gz	MZBOSMXKXDYFMN-NHKHRBQYSA-N	-1	0	461.561	6.743	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)[O-])cccc4[C@@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408995723	570095336	/nfs/dbraw/zinc/09/53/36/570095336.db2.gz	MZBOSMXKXDYFMN-AWCRTANDSA-N	-1	0	461.561	6.743	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408996653	570095448	/nfs/dbraw/zinc/09/54/48/570095448.db2.gz	MALDDUJTSVUOKN-PIZZNKLWSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@@H]1Cc3ccccc3[C@@H]21	ZINC000409000474	570096185	/nfs/dbraw/zinc/09/61/85/570096185.db2.gz	YVUFYWXZVYYNMM-PVHODMMVSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)cc(Br)c2[O-])C(=O)N1CCc1ccccc1	ZINC000409007823	570098451	/nfs/dbraw/zinc/09/84/51/570098451.db2.gz	SGWMDBDMHYLTQN-DHDCSXOGSA-N	-1	0	483.181	5.196	40	0		JKABRM
CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O	ZINC000409010046	570099169	/nfs/dbraw/zinc/09/91/69/570099169.db2.gz	DCECYRQXSUKFDB-MDBUFAAASA-N	-1	0	490.375	5.561	40	0		JKABRM
CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409011962	570099783	/nfs/dbraw/zinc/09/97/83/570099783.db2.gz	PILBCLRDFHYHNP-FYJGNVAPSA-N	-1	0	492.915	5.113	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000254697454	570106012	/nfs/dbraw/zinc/10/60/12/570106012.db2.gz	WCGUUGGRBIKTOS-AQZSQMHBSA-N	-1	0	456.711	7.090	40	0	endogenous,in-man	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C	ZINC000254697456	570106060	/nfs/dbraw/zinc/10/60/60/570106060.db2.gz	WCGUUGGRBIKTOS-AUQYNOMTSA-N	-1	0	456.711	7.090	40	0	endogenous,in-man	JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCC(=O)[O-])Cc3cccc(Cl)c3)ccc2O1	ZINC000257200592	570107948	/nfs/dbraw/zinc/10/79/48/570107948.db2.gz	ADYWLRNDMTYNNM-NDEPHWFRSA-N	-1	0	495.978	5.461	40	0		JKABRM
CC(C)CC(=O)N[C@]1(C)C[C@H](c2cc(Cl)cc(Br)c2[O-])O[C@@H]2C[C@H](C)CC[C@H]21	ZINC000257202671	570108691	/nfs/dbraw/zinc/10/86/91/570108691.db2.gz	AMVLNRUALNGUJA-JNMDGONASA-N	-1	0	472.851	5.995	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)CCc2ccc3c(c2)C[C@](C)(Cc2ccccc2F)O3)c1	ZINC000257203286	570108893	/nfs/dbraw/zinc/10/88/93/570108893.db2.gz	APJCCTYYPVQIIK-PMERELPUSA-N	-1	0	489.587	5.159	40	0		JKABRM
CC(C)Oc1ccc(CN(CC(=O)[O-])C(=O)CCn2c3ccccc3nc2C2CCCCC2)cc1	ZINC000257208112	570110435	/nfs/dbraw/zinc/11/04/35/570110435.db2.gz	BKUZBXPBYXMWHG-UHFFFAOYSA-N	-1	0	477.605	5.375	40	0		JKABRM
CN(CCCc1nc(N2CCC[C@@H]2c2cccc(Br)c2)ncc1C(=O)[O-])c1ccccc1	ZINC000257210243	570111066	/nfs/dbraw/zinc/11/10/66/570111066.db2.gz	BTTQONQFDUHQDC-HSZRJFAPSA-N	-1	0	495.421	5.348	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Br)cc2)c(OCc2ccc(Cl)cc2)c1	ZINC000257210336	570111136	/nfs/dbraw/zinc/11/11/36/570111136.db2.gz	BUEOZMLDHZCJHM-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
CC(C)c1ccc(OCC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2F)c(C(=O)[O-])c1	ZINC000257215246	570112607	/nfs/dbraw/zinc/11/26/07/570112607.db2.gz	CPGYPYNYMSLYGC-UHFFFAOYSA-N	-1	0	488.559	5.779	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3cccc(F)c3F)ccc2O1	ZINC000257214958	570112651	/nfs/dbraw/zinc/11/26/51/570112651.db2.gz	COCBHEXITUHDGV-NDEPHWFRSA-N	-1	0	497.513	5.086	40	0		JKABRM
COc1cccc(CN(C(=O)COc2c(Br)cccc2C(=O)[O-])[C@H](C)c2ccccc2)c1	ZINC000257215657	570112748	/nfs/dbraw/zinc/11/27/48/570112748.db2.gz	CRBKNFOFQNOQAC-QGZVFWFLSA-N	-1	0	498.373	5.325	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2ccc(Cl)cc2)O1	ZINC000257216677	570113167	/nfs/dbraw/zinc/11/31/67/570113167.db2.gz	CVQUIRSPDMBOSR-ARNLJNQMSA-N	-1	0	459.970	5.705	40	0		JKABRM
C[C@@H](c1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000257217920	570113496	/nfs/dbraw/zinc/11/34/96/570113496.db2.gz	DBCPXPWZGWXOFJ-INIZCTEOSA-N	-1	0	458.341	5.860	40	0		JKABRM
CCCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2)O1	ZINC000257219040	570113903	/nfs/dbraw/zinc/11/39/03/570113903.db2.gz	DFJIMDKZLQJDRB-SAAIGDAKSA-N	-1	0	473.569	5.938	40	0		JKABRM
C[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1c(Br)cccc1C(=O)[O-]	ZINC000257220295	570114168	/nfs/dbraw/zinc/11/41/68/570114168.db2.gz	DKHNKENTEADOAG-INIZCTEOSA-N	-1	0	486.337	5.455	40	0		JKABRM
COc1ccc(-c2nc(N3CCc4ccccc4[C@@H]3c3cccc(OC)c3)ncc2C(=O)[O-])cc1	ZINC000257221760	570114634	/nfs/dbraw/zinc/11/46/34/570114634.db2.gz	DQKJPSOCMUAZTG-SANMLTNESA-N	-1	0	467.525	5.011	40	0		JKABRM
CCCc1ccc(OCC(=O)[O-])c(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c1	ZINC000257223480	570115174	/nfs/dbraw/zinc/11/51/74/570115174.db2.gz	DXNVFSDLWBNYSO-UHFFFAOYSA-N	-1	0	458.533	6.015	40	0		JKABRM
CCCc1ccc(OCC(=O)[O-])c(-c2cc(-c3cccc(OC)c3OC)n(CC(C)C)n2)c1	ZINC000257228023	570116452	/nfs/dbraw/zinc/11/64/52/570116452.db2.gz	FRZXDVUYVSKWSR-UHFFFAOYSA-N	-1	0	452.551	5.306	40	0		JKABRM
Cc1cc2cc(C(=O)N3CCC[C@]34CO[C@H]3c5ccccc5O[C@@](C)(CCC(=O)[O-])[C@@H]3C4)ccc2o1	ZINC000257227896	570116478	/nfs/dbraw/zinc/11/64/78/570116478.db2.gz	FRKZJDVEFPWKBD-ACVDBWASSA-N	-1	0	489.568	5.510	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257228546	570116721	/nfs/dbraw/zinc/11/67/21/570116721.db2.gz	FUFWNWRKHNGTRF-NDEPHWFRSA-N	-1	0	495.978	5.575	40	0		JKABRM
CCCCn1nc(-c2cc(C(=O)[O-])ccc2OCC(C)C)cc1-c1cccc(OC)c1OC	ZINC000257229434	570116828	/nfs/dbraw/zinc/11/68/28/570116828.db2.gz	FYCYLAWXQFXQOB-UHFFFAOYSA-N	-1	0	452.551	5.767	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2ccc(F)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257229814	570116969	/nfs/dbraw/zinc/11/69/69/570116969.db2.gz	FZOIMPPOWJULBY-UHFFFAOYSA-N	-1	0	460.505	5.461	40	0		JKABRM
Cc1cc(F)ccc1CC(=O)N1CCC[C@]2(CO[C@H]3c4ccccc4O[C@](C)(CCC(=O)[O-])[C@@H]3C2)C1	ZINC000257231341	570117407	/nfs/dbraw/zinc/11/74/07/570117407.db2.gz	GGGPZEJZRNWJCB-GSDPDGKRSA-N	-1	0	495.591	5.079	40	0		JKABRM
O=C([O-])c1cnc([C@@H]2CCCCN2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257232175	570117677	/nfs/dbraw/zinc/11/76/77/570117677.db2.gz	GJSIFZGEEMFNSU-QHCPKHFHSA-N	-1	0	453.945	5.480	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cccc(-c3ccccc3)c2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257235635	570118729	/nfs/dbraw/zinc/11/87/29/570118729.db2.gz	GYSKTSPIMSRNMP-BXTSTYNKSA-N	-1	0	477.532	5.444	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3cccc(OC)c3OC)n(-c3cccc(Cl)c3)n2)c1	ZINC000257240892	570120519	/nfs/dbraw/zinc/12/05/19/570120519.db2.gz	HVPGSGOVVGKESN-UHFFFAOYSA-N	-1	0	492.959	5.903	40	0		JKABRM
O=C([O-])c1cccc(F)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1Cl	ZINC000257244181	570121286	/nfs/dbraw/zinc/12/12/86/570121286.db2.gz	IKFPXNGUIOSYDC-UHFFFAOYSA-N	-1	0	480.923	5.309	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(C(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257244182	570121356	/nfs/dbraw/zinc/12/13/56/570121356.db2.gz	IKGAKQILBXOPLO-HHHXNRCGSA-N	-1	0	463.961	5.046	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(OCc2cccc(Cl)c2)c1	ZINC000257247709	570122449	/nfs/dbraw/zinc/12/24/49/570122449.db2.gz	JACPPJQCNVJJRC-UHFFFAOYSA-N	-1	0	472.006	5.644	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCc3ccccc3F)CC(=O)[O-])ccc2O1	ZINC000257248187	570122594	/nfs/dbraw/zinc/12/25/94/570122594.db2.gz	JCOBQKHXUNTIQQ-MHZLTWQESA-N	-1	0	481.951	5.185	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257248905	570122879	/nfs/dbraw/zinc/12/28/79/570122879.db2.gz	JFTNQOAGRUNQSE-XMMPIXPASA-N	-1	0	466.940	5.264	40	0		JKABRM
Cc1cc(C)c(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1	ZINC000257248971	570122951	/nfs/dbraw/zinc/12/29/51/570122951.db2.gz	JGBJPUCWSQCOHQ-UHFFFAOYSA-N	-1	0	467.352	6.593	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2c(C)cc(C(C)C)cc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257250767	570123301	/nfs/dbraw/zinc/12/33/01/570123301.db2.gz	JNXHUGJYBJUDJD-ZEVJAHDQSA-N	-1	0	473.997	5.723	40	0		JKABRM
COc1ccc(CN(C(=O)COc2c(Cl)cccc2C(=O)[O-])[C@@H](C)c2ccccc2)c(OC)c1	ZINC000257251587	570123575	/nfs/dbraw/zinc/12/35/75/570123575.db2.gz	JRKFAUDDTMSGIC-KRWDZBQOSA-N	-1	0	483.948	5.224	40	0		JKABRM
COc1ccc(CN(C(=O)COc2c(Cl)cccc2C(=O)[O-])[C@H](C)c2ccccc2)c(OC)c1	ZINC000257251588	570123587	/nfs/dbraw/zinc/12/35/87/570123587.db2.gz	JRKFAUDDTMSGIC-QGZVFWFLSA-N	-1	0	483.948	5.224	40	0		JKABRM
Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)[O-])c(COc2cc(C)c(Cl)c(C)c2)n1	ZINC000257254428	570124509	/nfs/dbraw/zinc/12/45/09/570124509.db2.gz	KCZNGUTZRQKNAP-UHFFFAOYSA-N	-1	0	483.996	5.947	40	0		JKABRM
COc1ccccc1CN(C(=O)COc1c(Cl)cccc1C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000257257013	570125298	/nfs/dbraw/zinc/12/52/98/570125298.db2.gz	KNSJCITVZSIRLB-KRWDZBQOSA-N	-1	0	453.922	5.216	40	0		JKABRM
C[C@]1(Cc2ccccc2)CCc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(Cl)c3)ccc2O1	ZINC000257258727	570125766	/nfs/dbraw/zinc/12/57/66/570125766.db2.gz	KVFZRYKZRFZOOI-HHHXNRCGSA-N	-1	0	463.961	5.393	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc2O1	ZINC000257261432	570126707	/nfs/dbraw/zinc/12/67/07/570126707.db2.gz	LHGYCFDVTXRTNM-MHZLTWQESA-N	-1	0	499.941	5.210	40	0		JKABRM
COc1cc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)cc1OC	ZINC000257263025	570127358	/nfs/dbraw/zinc/12/73/58/570127358.db2.gz	LOBFTDBGYVWSTR-UHFFFAOYSA-N	-1	0	492.959	5.594	40	0		JKABRM
Cc1cc(OCc2nc(N3CCC[C@@H]3c3cccc(F)c3)ncc2C(=O)[O-])cc(C)c1Cl	ZINC000257263385	570127541	/nfs/dbraw/zinc/12/75/41/570127541.db2.gz	LPQUBHFWBWPFKO-OAQYLSRUSA-N	-1	0	455.917	5.505	40	0		JKABRM
C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN(C(=O)CCc4cccc(F)c4)C3)C[C@H]21	ZINC000257264504	570127789	/nfs/dbraw/zinc/12/77/89/570127789.db2.gz	LUSCGTZNMZPSKO-GSDPDGKRSA-N	-1	0	495.591	5.161	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257267325	570128684	/nfs/dbraw/zinc/12/86/84/570128684.db2.gz	MGUGQHDELPXJIO-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
CCn1cc(CCc2nc(NCCOc3cc(C(C)C)ccc3C)ncc2C(=O)[O-])c2ccccc21	ZINC000257269077	570129289	/nfs/dbraw/zinc/12/92/89/570129289.db2.gz	MOLYWTIBEQNXCZ-UHFFFAOYSA-N	-1	0	486.616	5.857	40	0		JKABRM
O=C([O-])CN(Cc1ccccc1Cl)C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257269322	570129384	/nfs/dbraw/zinc/12/93/84/570129384.db2.gz	MPMKCPZLUJEZSB-UHFFFAOYSA-N	-1	0	453.970	5.241	40	0		JKABRM
CCOc1ccc(CN(Cc2ccccc2)C(=O)COc2c(Cl)cccc2C(=O)[O-])cc1	ZINC000257269806	570129559	/nfs/dbraw/zinc/12/95/59/570129559.db2.gz	MRKZMFGXTTUJQP-UHFFFAOYSA-N	-1	0	453.922	5.045	40	0		JKABRM
CC(C)(C)c1ccc(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c(OCC(=O)[O-])c1	ZINC000257270735	570129837	/nfs/dbraw/zinc/12/98/37/570129837.db2.gz	MVLTZPOKOXZZHN-UHFFFAOYSA-N	-1	0	472.560	6.360	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3ccc(F)cc3)ccc2O1	ZINC000257275449	570131292	/nfs/dbraw/zinc/13/12/92/570131292.db2.gz	NPLIGQTYYMYBPF-NDEPHWFRSA-N	-1	0	495.978	5.461	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1	ZINC000257277057	570131773	/nfs/dbraw/zinc/13/17/73/570131773.db2.gz	NWGVBXVTANBUEI-UHFFFAOYSA-N	-1	0	474.988	6.814	40	0		JKABRM
Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)cc1Cl	ZINC000409111059	570132217	/nfs/dbraw/zinc/13/22/17/570132217.db2.gz	AEUWQBTVVKBOOZ-UHFFFAOYSA-N	-1	0	460.755	6.300	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257278968	570132416	/nfs/dbraw/zinc/13/24/16/570132416.db2.gz	OEKSZNYRXRQXOW-HHHXNRCGSA-N	-1	0	481.951	5.185	40	0		JKABRM
CCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257279705	570132550	/nfs/dbraw/zinc/13/25/50/570132550.db2.gz	OHULHJONXWICDC-UHFFFAOYSA-N	-1	0	460.961	6.139	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(OCc2cccc(Cl)c2)c1	ZINC000257279839	570132731	/nfs/dbraw/zinc/13/27/31/570132731.db2.gz	OIJWXDXFXFTTDJ-UHFFFAOYSA-N	-1	0	483.895	5.365	40	0		JKABRM
COc1cccc(CN(C(=O)COc2ccc(Cl)cc2C(=O)[O-])[C@H](C)c2ccccc2)c1	ZINC000257282337	570133455	/nfs/dbraw/zinc/13/34/55/570133455.db2.gz	OTIZDORKZGAWSV-QGZVFWFLSA-N	-1	0	453.922	5.216	40	0		JKABRM
C[C@]1(Cc2ccccc2)CCc2cc(C(=O)[N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2O1	ZINC000257282654	570133543	/nfs/dbraw/zinc/13/35/43/570133543.db2.gz	OUQKQXIYAFGXCX-XMMPIXPASA-N	-1	0	489.515	5.151	40	0		JKABRM
Cc1cc(C)c(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c1	ZINC000257286221	570134488	/nfs/dbraw/zinc/13/44/88/570134488.db2.gz	PKTUEZPPEFHYSR-UHFFFAOYSA-N	-1	0	460.961	6.193	40	0		JKABRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)c2ccccc2)c1	ZINC000257286439	570134612	/nfs/dbraw/zinc/13/46/12/570134612.db2.gz	PLPIUTIGBLWMCD-KRWDZBQOSA-N	-1	0	453.922	5.216	40	0		JKABRM
CC(C)Oc1cccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@@](C)(Cc2ccccc2F)O3)c1	ZINC000257289024	570135275	/nfs/dbraw/zinc/13/52/75/570135275.db2.gz	PWRIFUJIXBFBRI-GDLZYMKVSA-N	-1	0	491.559	5.276	40	0		JKABRM
CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]S(=O)(=O)c1cccc2cccc(Cl)c21	ZINC000409119892	570135442	/nfs/dbraw/zinc/13/54/42/570135442.db2.gz	USCMPOSDYHKPBC-UHFFFAOYSA-N	-1	0	451.953	5.043	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3cccc(F)c3F)ccc2O1	ZINC000257291401	570136005	/nfs/dbraw/zinc/13/60/05/570136005.db2.gz	QGUCUDAXBLIJPY-MHZLTWQESA-N	-1	0	499.941	5.210	40	0		JKABRM
CC(C)c1ccc(CN(Cc2ccccc2)C(=O)COc2c(Cl)cccc2C(=O)[O-])cc1	ZINC000257293273	570136543	/nfs/dbraw/zinc/13/65/43/570136543.db2.gz	QOVQVFXXQGHTIV-UHFFFAOYSA-N	-1	0	451.950	5.769	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc2O1	ZINC000257294151	570136671	/nfs/dbraw/zinc/13/66/71/570136671.db2.gz	QSTUJYNPQSMBEY-MUUNZHRXSA-N	-1	0	495.978	5.461	40	0		JKABRM
O=C([O-])COc1cc2c(cc1-c1cc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3)n1)OCO2	ZINC000257294573	570136795	/nfs/dbraw/zinc/13/67/95/570136795.db2.gz	QUSZQQZBILHSDD-UHFFFAOYSA-N	-1	0	466.852	5.191	40	0		JKABRM
Cc1ccc(CN(C(=O)COc2c(Br)cccc2C(=O)[O-])[C@@H](C)c2ccccc2)cc1	ZINC000257296047	570137138	/nfs/dbraw/zinc/13/71/38/570137138.db2.gz	RAZKNARKBMHJJL-SFHVURJKSA-N	-1	0	482.374	5.625	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1COc1ccc(Cl)cc1	ZINC000257296545	570137418	/nfs/dbraw/zinc/13/74/18/570137418.db2.gz	RDHHQZOTRGZDFL-HSZRJFAPSA-N	-1	0	485.367	5.572	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc2ccccc2c1	ZINC000409126203	570138081	/nfs/dbraw/zinc/13/80/81/570138081.db2.gz	DWBDQTDKCGBXHG-RGVLZGJSSA-N	-1	0	483.929	5.202	40	0		JKABRM
COc1cccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409130056	570139674	/nfs/dbraw/zinc/13/96/74/570139674.db2.gz	VVMXBOHGVZARET-HYARGMPZSA-N	-1	0	481.570	5.589	40	0		JKABRM
O=C([O-])c1sc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1COc1ccccc1Cl	ZINC000257306191	570140142	/nfs/dbraw/zinc/14/01/42/570140142.db2.gz	STFWLMOMFGRAPC-GOSISDBHSA-N	-1	0	491.396	5.633	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cccc(-c3ccccc3)c2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257306181	570140144	/nfs/dbraw/zinc/14/01/44/570140144.db2.gz	STFBTTWNWVFPCG-OARDWFSCSA-N	-1	0	493.987	5.958	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(C[C@@H](O)CC)n1	ZINC000257306517	570140287	/nfs/dbraw/zinc/14/02/87/570140287.db2.gz	SUOGOIUDKYTAOX-IBGZPJMESA-N	-1	0	452.551	5.264	40	0		JKABRM
CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCc2cccc(Cl)c2)cc1-c1cccc(F)c1	ZINC000257309509	570141323	/nfs/dbraw/zinc/14/13/23/570141323.db2.gz	UBFHPKQJLAYKEA-UHFFFAOYSA-N	-1	0	492.978	7.016	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1Cl	ZINC000409134809	570141803	/nfs/dbraw/zinc/14/18/03/570141803.db2.gz	QKBMNLBJZGOSQR-KGENOOAVSA-N	-1	0	467.930	5.967	40	0		JKABRM
C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN3C(=O)c3nccc4ccccc43)C[C@H]21	ZINC000257312473	570142232	/nfs/dbraw/zinc/14/22/32/570142232.db2.gz	UOCGTDKSXFOBMO-ACVDBWASSA-N	-1	0	486.568	5.003	40	0		JKABRM
O=C([O-])c1sc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257315063	570142939	/nfs/dbraw/zinc/14/29/39/570142939.db2.gz	UZTGKQAVFJMFGX-FQEVSTJZSA-N	-1	0	472.969	5.325	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(-c3ccccc3)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257317265	570143638	/nfs/dbraw/zinc/14/36/38/570143638.db2.gz	VJBQYOHZCIBFJX-REUBFRLUSA-N	-1	0	493.987	5.958	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1cccc2ccccc21	ZINC000409140953	570144563	/nfs/dbraw/zinc/14/45/63/570144563.db2.gz	HGMOJOCWIYAJAO-RGVLZGJSSA-N	-1	0	483.929	5.202	40	0		JKABRM
O=C([O-])CCN(CCc1cccc(Cl)c1)C(=O)c1cccc(OCc2cccc(F)c2)c1	ZINC000257322639	570145255	/nfs/dbraw/zinc/14/52/55/570145255.db2.gz	WGUHOMOVUWYEIN-UHFFFAOYSA-N	-1	0	455.913	5.218	40	0		JKABRM
CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCC[N@H+](Cc4ccc(OCC(=O)[O-])cc4)[C@@H]3C[C@H]21	ZINC000257322206	570145261	/nfs/dbraw/zinc/14/52/61/570145261.db2.gz	WFAGDKUCWBAFEL-VLOWTAQSSA-N	-1	0	471.981	5.085	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257322459	570145287	/nfs/dbraw/zinc/14/52/87/570145287.db2.gz	WGBRBRDUPDUUDH-UHFFFAOYSA-N	-1	0	458.533	6.476	40	0		JKABRM
O=C([O-])c1cnc(N2CCCCC[C@@H]2c2ccccc2Br)nc1CCc1cccc(F)c1	ZINC000257322963	570145413	/nfs/dbraw/zinc/14/54/13/570145413.db2.gz	WIGPZOWHIBHCNT-HSZRJFAPSA-N	-1	0	498.396	5.983	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000409143707	570145747	/nfs/dbraw/zinc/14/57/47/570145747.db2.gz	DJKCOLZMVDDIPI-GIJQJNRQSA-N	-1	0	482.341	5.092	40	0		JKABRM
O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br	ZINC000409147058	570147534	/nfs/dbraw/zinc/14/75/34/570147534.db2.gz	UPDNLZFTAKTTLL-OVCLIPMQSA-N	-1	0	488.787	5.183	40	0		JKABRM
O=C([O-])c1sc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1CCc1ccc(F)cc1	ZINC000257331242	570147976	/nfs/dbraw/zinc/14/79/76/570147976.db2.gz	XRYLUTOTMMTCHF-NRFANRHFSA-N	-1	0	452.551	5.062	40	0		JKABRM
COc1ccccc1-c1cc(-c2cc(C(=O)[O-])ccc2OCC(C)C)nn1CCc1ccccc1	ZINC000257331217	570147979	/nfs/dbraw/zinc/14/79/79/570147979.db2.gz	XRVSRSHQOIULJY-UHFFFAOYSA-N	-1	0	470.569	6.201	40	0		JKABRM
Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3ccc4c(c3)CC(C)(C)O4)c(-c3ccccc3)c2c1	ZINC000257331847	570148095	/nfs/dbraw/zinc/14/80/95/570148095.db2.gz	XUNHZNLTKFNZRV-UHFFFAOYSA-N	-1	0	468.553	5.584	40	0		JKABRM
CC(C)Oc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@](C)(Cc2ccccc2F)O3)cc1	ZINC000257333138	570148440	/nfs/dbraw/zinc/14/84/40/570148440.db2.gz	YAHJWHSUBHJEOM-LJAQVGFWSA-N	-1	0	491.559	5.276	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@H](O)CC)n1	ZINC000257333541	570148587	/nfs/dbraw/zinc/14/85/87/570148587.db2.gz	YBZBSMGJDRWTCV-HXUWFJFHSA-N	-1	0	456.970	5.447	40	0		JKABRM
CC(C)c1ccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)[O-])Cc3ccc(F)c(Cl)c3)CC[C@@H]2O)cc1	ZINC000257333673	570148730	/nfs/dbraw/zinc/14/87/30/570148730.db2.gz	YCOPATUDVRQDCD-YGOYIFOWSA-N	-1	0	491.003	5.048	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c1	ZINC000257334699	570148951	/nfs/dbraw/zinc/14/89/51/570148951.db2.gz	YHAPNQLRZLQENZ-UHFFFAOYSA-N	-1	0	460.961	6.139	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(CC(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257334720	570149092	/nfs/dbraw/zinc/14/90/92/570149092.db2.gz	YHCDQGSYRXPPPO-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(C)cc(C)c2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257336203	570149299	/nfs/dbraw/zinc/14/92/99/570149299.db2.gz	YNNLCHRZXHIICG-UHFFFAOYSA-N	-1	0	470.569	5.939	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)nc1COc1ccccc1Cl	ZINC000257336924	570149437	/nfs/dbraw/zinc/14/94/37/570149437.db2.gz	YQPBTQWQWFMRCP-NRFANRHFSA-N	-1	0	471.340	5.643	40	0		JKABRM
Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3cccc(C(F)(F)F)c3)c(-c3ccccc3)c2c1	ZINC000257337123	570149616	/nfs/dbraw/zinc/14/96/16/570149616.db2.gz	YRMONGWNXGFHJW-UHFFFAOYSA-N	-1	0	466.459	5.889	40	0		JKABRM
COc1ccc([C@@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)cc1	ZINC000257342272	570151024	/nfs/dbraw/zinc/15/10/24/570151024.db2.gz	ZNWLEXQEZVNZES-QFIPXVFZSA-N	-1	0	467.953	5.374	40	0		JKABRM
CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257342723	570151142	/nfs/dbraw/zinc/15/11/42/570151142.db2.gz	ZPWRUTJFEJHNPY-UHFFFAOYSA-N	-1	0	460.961	6.600	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Br)c(OCc2ccc(Cl)cc2)c1	ZINC000257342871	570151217	/nfs/dbraw/zinc/15/12/17/570151217.db2.gz	ZQLFVOFTWPLHIG-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	ZINC000409169349	570154419	/nfs/dbraw/zinc/15/44/19/570154419.db2.gz	XQUSETQARLTHNP-SFHVURJKSA-N	-1	0	470.616	5.232	40	0		JKABRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1C	ZINC000409181639	570159544	/nfs/dbraw/zinc/15/95/44/570159544.db2.gz	DLDDGJMFPUENRI-UHFFFAOYSA-N	-1	0	485.414	5.212	40	0		JKABRM
Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2OCC(=O)[O-])cc1	ZINC000409184652	570160523	/nfs/dbraw/zinc/16/05/23/570160523.db2.gz	YQGQUJTZSWTVLV-GDLZYMKVSA-N	-1	0	478.548	5.824	40	0		JKABRM
COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000409189285	570161370	/nfs/dbraw/zinc/16/13/70/570161370.db2.gz	ORVRYEFLFPAHGB-NVMNQCDNSA-N	-1	0	466.346	5.225	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1	ZINC000409190196	570161678	/nfs/dbraw/zinc/16/16/78/570161678.db2.gz	MLHMDUJLTCMVAG-YDZHTSKRSA-N	-1	0	488.952	6.282	40	0		JKABRM
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)[O-])o2)C1=O	ZINC000409214356	570171608	/nfs/dbraw/zinc/17/16/08/570171608.db2.gz	XBGDHDHYSSAWSZ-JAIQZWGSSA-N	-1	0	496.928	5.282	40	0		JKABRM
O=C([O-])c1cc(Br)cc(Br)c1OCc1ccc(Br)cc1	ZINC000312337712	570178858	/nfs/dbraw/zinc/17/88/58/570178858.db2.gz	VJUFGQKQTKFTFB-UHFFFAOYSA-N	-1	0	464.935	5.251	40	0		JKABRM
CC(C)(C)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC(=O)[O-])n2)cc1	ZINC000328961559	570179527	/nfs/dbraw/zinc/17/95/27/570179527.db2.gz	BDZGQNOJRCAYAL-UHFFFAOYSA-N	-1	0	460.456	5.580	40	0		JKABRM
COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409237169	570180269	/nfs/dbraw/zinc/18/02/69/570180269.db2.gz	HXAWNDIAVAAFSP-WOJGMQOQSA-N	-1	0	496.368	5.343	40	0		JKABRM
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409239585	570181280	/nfs/dbraw/zinc/18/12/80/570181280.db2.gz	HMAJCFGWNHEUJT-FYJGNVAPSA-N	-1	0	492.915	5.113	40	0		JKABRM
COCCCN1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409240910	570181914	/nfs/dbraw/zinc/18/19/14/570181914.db2.gz	MCOJEHNXGZYZGA-HZHRSRAPSA-N	-1	0	477.538	5.190	40	0		JKABRM
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C1=O	ZINC000409241613	570182118	/nfs/dbraw/zinc/18/21/18/570182118.db2.gz	KJZRFQKCYGLWME-XDHOZWIPSA-N	-1	0	475.950	5.462	40	0		JKABRM
CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc32)c2c(c1OP(=O)([O-])[O-])CCCC2	ZINC000334163726	570185238	/nfs/dbraw/zinc/18/52/38/570185238.db2.gz	QMTGYAPMNNDNJV-UHFFFAOYSA-N	-1	0	489.940	5.870	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000407947173	570185679	/nfs/dbraw/zinc/18/56/79/570185679.db2.gz	TYXBDWQIJIOJKW-WFDKARIUSA-N	-1	0	490.725	5.113	40	0		JKABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)o1	ZINC000408542582	570191835	/nfs/dbraw/zinc/19/18/35/570191835.db2.gz	MJEHXEOEGJDTOQ-JJFYIABZSA-N	-1	0	476.485	5.356	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)c1	ZINC000408543891	570192198	/nfs/dbraw/zinc/19/21/98/570192198.db2.gz	FWPBVNGFCDQPGU-UHFFFAOYSA-N	-1	0	467.056	5.245	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2Cl)c1C	ZINC000408544672	570192533	/nfs/dbraw/zinc/19/25/33/570192533.db2.gz	IKLGOLQEMQADQP-UHFFFAOYSA-N	-1	0	471.022	6.442	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2Cl)c(C)c1	ZINC000408545756	570193100	/nfs/dbraw/zinc/19/31/00/570193100.db2.gz	NYHUAFWIIPLCGR-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000408546052	570193174	/nfs/dbraw/zinc/19/31/74/570193174.db2.gz	PVDOKRIMNJYCQX-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)cc1C	ZINC000408546122	570193210	/nfs/dbraw/zinc/19/32/10/570193210.db2.gz	CIQWQLMUHVJGRV-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000408546076	570193244	/nfs/dbraw/zinc/19/32/44/570193244.db2.gz	QGYIGOYQJYZVAY-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408546123	570193294	/nfs/dbraw/zinc/19/32/94/570193294.db2.gz	QUQXDXGZXXTKLN-UHFFFAOYSA-N	-1	0	495.453	5.457	40	0		JKABRM
COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000408546821	570193530	/nfs/dbraw/zinc/19/35/30/570193530.db2.gz	WHDIGXFRPGOLKA-UHFFFAOYSA-N	-1	0	486.977	5.105	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c1	ZINC000408546765	570193541	/nfs/dbraw/zinc/19/35/41/570193541.db2.gz	VHHBAGNIAIOMCJ-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCSCc2ccccc2Cl)cc1	ZINC000408547290	570193675	/nfs/dbraw/zinc/19/36/75/570193675.db2.gz	YKXUNKIPMWKTIZ-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2Cl)c1C	ZINC000408547283	570193710	/nfs/dbraw/zinc/19/37/10/570193710.db2.gz	YIAFGRPPNIEVEL-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
COc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc(C(=O)[O-])c3)n2)cc1OC	ZINC000408547824	570193952	/nfs/dbraw/zinc/19/39/52/570193952.db2.gz	NLUOVVPMOCWVOL-UHFFFAOYSA-N	-1	0	450.438	5.170	40	0		JKABRM
COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)[O-])cc3)n2)cc1OC	ZINC000408547863	570193973	/nfs/dbraw/zinc/19/39/73/570193973.db2.gz	NYZZNMCNOINLRK-UHFFFAOYSA-N	-1	0	450.438	5.170	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2Cl)cc1	ZINC000408548128	570194103	/nfs/dbraw/zinc/19/41/03/570194103.db2.gz	POJLBJLFEVBEFL-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)c1	ZINC000408548468	570194170	/nfs/dbraw/zinc/19/41/70/570194170.db2.gz	SELROOQGCVBVSD-UHFFFAOYSA-N	-1	0	481.083	5.553	40	0		JKABRM
O=C(Nc1ccc(Br)cc1F)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408549062	570194439	/nfs/dbraw/zinc/19/44/39/570194439.db2.gz	WHJLSWVOMKKIHN-UHFFFAOYSA-N	-1	0	483.746	5.295	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)c1	ZINC000408549103	570194498	/nfs/dbraw/zinc/19/44/98/570194498.db2.gz	WZJSCOWDAIBZEW-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2Cl)c1C	ZINC000408549547	570194556	/nfs/dbraw/zinc/19/45/56/570194556.db2.gz	ZULTUUDKMDDNQR-UHFFFAOYSA-N	-1	0	467.349	5.802	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(=O)c1ccccc1C	ZINC000408555363	570196858	/nfs/dbraw/zinc/19/68/58/570196858.db2.gz	AOQLGKLXZIFZPS-UHFFFAOYSA-N	-1	0	488.565	5.849	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)NC1CCCCC1	ZINC000408557406	570198185	/nfs/dbraw/zinc/19/81/85/570198185.db2.gz	MNYAUHRTMUVHMT-UHFFFAOYSA-N	-1	0	464.587	5.651	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1	ZINC000408558980	570199451	/nfs/dbraw/zinc/19/94/51/570199451.db2.gz	UVBUQRVPIYDGLL-UHFFFAOYSA-N	-1	0	481.357	5.064	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(=O)c1ccccc1	ZINC000408560440	570200428	/nfs/dbraw/zinc/20/04/28/570200428.db2.gz	OZRPJQCNLJBZMM-UHFFFAOYSA-N	-1	0	488.565	5.931	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(=O)c1ccc(C)cc1	ZINC000408561422	570201060	/nfs/dbraw/zinc/20/10/60/570201060.db2.gz	SHMQUJDPCFRYNV-UHFFFAOYSA-N	-1	0	488.565	5.849	40	0		JKABRM
CC(=O)N(Cc1cc(Cl)ccc1OCc1ccccc1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408567850	570204163	/nfs/dbraw/zinc/20/41/63/570204163.db2.gz	SAAJACNWZMGLIS-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000409330976	570204185	/nfs/dbraw/zinc/20/41/85/570204185.db2.gz	NUAAMTDJZQMRBB-MFOYZWKCSA-N	-1	0	465.358	5.497	40	0		JKABRM
O=C([O-])c1cc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000408570111	570204577	/nfs/dbraw/zinc/20/45/77/570204577.db2.gz	ZBNJDYMFJXEFSL-UHFFFAOYSA-N	-1	0	485.367	5.375	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1)N1CCCC1	ZINC000408590709	570209058	/nfs/dbraw/zinc/20/90/58/570209058.db2.gz	KMMGAGHESCUKAL-UHFFFAOYSA-N	-1	0	471.966	5.561	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)NCC(C)C	ZINC000408592352	570209435	/nfs/dbraw/zinc/20/94/35/570209435.db2.gz	LEXBURKMWFAPDP-UHFFFAOYSA-N	-1	0	472.994	5.627	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@]1(C)O	ZINC000257808147	571860853	/nfs/dbraw/zinc/86/08/53/571860853.db2.gz	ZZTYPLSBNNGEIS-NDDIDYAISA-N	-1	0	472.710	6.204	40	0	endogenous,in-man	JKABRM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C	ZINC000252515735	291547770	/nfs/dbraw/zinc/54/77/70/291547770.db2.gz	NBGQZFQREPIKMG-KPYITSPWSA-N	-1	0	456.711	7.090	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@]1(C)O	ZINC000257473501	291547631	/nfs/dbraw/zinc/54/76/31/291547631.db2.gz	LJORXTIGOHMBOS-INDVRNQTSA-N	-1	0	486.693	5.383	40	0	biogenic,in-vitro	JKABRM
CC(=O)O[C@H]1CC(=O)[C@H](C)[C@@](C)(/C=C/C(C)=C/Cc2c([O-])c(Cl)c(C)c(C=O)c2O)[C@@H]1C	ZINC000049600281	291558198	/nfs/dbraw/zinc/55/81/98/291558198.db2.gz	ACSLMZYXJATICN-IRMIYARYSA-N	-1	0	462.970	5.100	40	0	biogenic,in-vitro	JKABRM
CC[C@@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c([C@@H](CC)OC(C)=O)cc(=O)oc12	ZINC000014718754	291583251	/nfs/dbraw/zinc/58/32/51/291583251.db2.gz	UTENTZJIWUVVPY-FTCHERSRSA-N	-1	0	498.616	6.682	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000003847555	194364350	/nfs/dbraw/zinc/36/43/50/194364350.db2.gz	MIJYXULNPSFWEK-BXXSUYNYSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
CC1(C)O[C@@](C)(C(O)(c2cccc3ccccc32)c2cccc3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000003845842	194364355	/nfs/dbraw/zinc/36/43/55/194364355.db2.gz	IQKVYIVECRLDDW-GGXMVOPNSA-N	-1	0	454.566	6.277	40	0		JKABRM
CC(=O)O[C@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]3[C@@H]2C(=O)C(=O)[O-])C(=O)C1	ZINC000003850220	194364633	/nfs/dbraw/zinc/36/46/33/194364633.db2.gz	FTPHYMQNLZPNKG-BBICZMJYSA-N	-1	0	490.681	5.852	40	0		JKABRM
CC/C(=C/C=C/[C@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@H](C)C(=O)[O-])CC[C@@H]1C	ZINC000004016151	194369852	/nfs/dbraw/zinc/36/98/52/194369852.db2.gz	HSZFOQSMGNAIJM-RBKVLVEGSA-N	-1	0	465.634	6.213	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccc4ccccc4c3)sc2c1	ZINC000059417550	195399667	/nfs/dbraw/zinc/39/96/67/195399667.db2.gz	HMMKFOYHWFGHCA-UHFFFAOYSA-N	-1	0	498.585	6.375	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1	ZINC000059417544	195399707	/nfs/dbraw/zinc/39/97/07/195399707.db2.gz	MVKOJZZNEUVMMA-UHFFFAOYSA-N	-1	0	489.405	6.846	40	0		JKABRM
O=C([O-])[C@@](F)(N(F)F)C(F)(F)c1ccccc1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000064220150	195434736	/nfs/dbraw/zinc/43/47/36/195434736.db2.gz	YTJJKNGRJYYMGQ-XMMPIXPASA-N	-1	0	477.385	5.569	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br	ZINC000408634803	195481933	/nfs/dbraw/zinc/48/19/33/195481933.db2.gz	UWMWDJMJXIQZMX-YBEGLDIGSA-N	-1	0	481.755	5.769	40	0		JKABRM
O=C([O-])c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3ccc(Cl)cc3)c3ccccc32)c1	ZINC000096270368	130004111	/nfs/dbraw/zinc/00/41/11/130004111.db2.gz	BPBOVHROVFJFAH-CYYJNZCTSA-N	-1	0	465.936	6.544	40	0	in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C(=O)C[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000096295971	130051204	/nfs/dbraw/zinc/05/12/04/130051204.db2.gz	BYWZDPHXZQSASO-RBHAHTKUSA-N	-1	0	486.693	5.385	40	0	biogenic,in-vitro	JKABRM
CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Br)s3)c2)cc1	ZINC000044847561	519022982	/nfs/dbraw/zinc/02/29/82/519022982.db2.gz	ZRRCDSDDEKBTKN-UHFFFAOYSA-N	-1	0	478.433	5.840	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@]1(C)C(=O)[O-]	ZINC000085978336	519757800	/nfs/dbraw/zinc/75/78/00/519757800.db2.gz	YJBVHJIKNLBFDX-WANGJZEUSA-N	-1	0	498.748	7.660	40	0	in-man	JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000022522447	521221151	/nfs/dbraw/zinc/22/11/51/521221151.db2.gz	RXRNWFUAGVJYPP-MRXNPFEDSA-N	-1	0	458.967	5.031	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000044902266	521255377	/nfs/dbraw/zinc/25/53/77/521255377.db2.gz	XNNSAIZKEJPCKG-KRWDZBQOSA-N	-1	0	472.994	5.339	40	0		JKABRM
CC[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1[N-]S(C)(=O)=O)c1ccccc1	ZINC000043169621	522520944	/nfs/dbraw/zinc/52/09/44/522520944.db2.gz	QYTBBBAHNIWFOD-NRFANRHFSA-N	-1	0	459.571	5.154	40	0	investigational	JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(OC)cc1	ZINC000030753606	522533857	/nfs/dbraw/zinc/53/38/57/522533857.db2.gz	UEWBIZHSDAFOEA-QFIPXVFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000020492701	522884551	/nfs/dbraw/zinc/88/45/51/522884551.db2.gz	DCGRMERAIABMGW-QHCPKHFHSA-N	-1	0	482.602	5.217	40	0		JKABRM
CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000044900169	522920429	/nfs/dbraw/zinc/92/04/29/522920429.db2.gz	BZKXWYIPGGVCQD-FQEVSTJZSA-N	-1	0	491.038	5.057	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1	ZINC000022522558	523844660	/nfs/dbraw/zinc/84/46/60/523844660.db2.gz	YYZGRJHOCGXQSG-LJQANCHMSA-N	-1	0	482.602	5.334	40	0		JKABRM
COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020468255	524023970	/nfs/dbraw/zinc/02/39/70/524023970.db2.gz	UOSUWXZXOBIBSY-OHQAAIJDSA-N	-1	0	455.576	5.185	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)c1	ZINC000022526595	524160262	/nfs/dbraw/zinc/16/02/62/524160262.db2.gz	JZXLFAIRQVDIAN-JOCHJYFZSA-N	-1	0	469.006	5.565	40	0		JKABRM
Cc1ccc(C)c([C@H]2C[C@H]([C@@H](C)c3ccccc3)Nc3c(C(=O)[O-])cc(Br)cc32)c1	ZINC000012447137	524212516	/nfs/dbraw/zinc/21/25/16/524212516.db2.gz	IMXDIIJFEQFWHF-XVWGUNQUSA-N	-1	0	464.403	6.884	40	0		JKABRM
Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000020456925	524379768	/nfs/dbraw/zinc/37/97/68/524379768.db2.gz	WQXVIEFDYWVLOE-UHFFFAOYSA-N	-1	0	456.995	5.338	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)c1	ZINC000044844965	524689240	/nfs/dbraw/zinc/68/92/40/524689240.db2.gz	VLKAIOZJHVZEKV-QHCPKHFHSA-N	-1	0	471.022	5.966	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2Cl)c1C	ZINC000044899813	524689954	/nfs/dbraw/zinc/68/99/54/524689954.db2.gz	KNDPAGDANCYISD-XMMPIXPASA-N	-1	0	485.049	6.275	40	0		JKABRM
COc1ccc(OC)c(N(CC(=O)Nc2cccc(Cl)c2Cl)c2n[n-]c(=S)s2)c1	ZINC000016769627	524841234	/nfs/dbraw/zinc/84/12/34/524841234.db2.gz	WRQKETZWMXSPME-UHFFFAOYSA-N	-1	0	471.391	5.301	40	0		JKABRM
COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000020481976	525143333	/nfs/dbraw/zinc/14/33/33/525143333.db2.gz	ITVXTXZFUIBKKA-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000044900750	525176036	/nfs/dbraw/zinc/17/60/36/525176036.db2.gz	OUIJGQXZTPBOHT-HSZRJFAPSA-N	-1	0	487.021	5.667	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)cc1C	ZINC000020450276	525296946	/nfs/dbraw/zinc/29/69/46/525296946.db2.gz	ZYGJTCNVJRTBKA-UHFFFAOYSA-N	-1	0	477.413	5.683	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)cc1C	ZINC000022516039	525297273	/nfs/dbraw/zinc/29/72/73/525297273.db2.gz	HGRLDLDZISVGFS-UHFFFAOYSA-N	-1	0	487.021	5.475	40	0		JKABRM
COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000044841036	525315147	/nfs/dbraw/zinc/31/51/47/525315147.db2.gz	HUSDIVBBYDEFOB-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000020452509	525315216	/nfs/dbraw/zinc/31/52/16/525315216.db2.gz	DJWWOTSKJFQKAI-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1	ZINC000044883385	525615241	/nfs/dbraw/zinc/61/52/41/525615241.db2.gz	ZCSORHNUMWWZNK-HHHXNRCGSA-N	-1	0	470.594	5.624	40	0		JKABRM
O=C([O-])c1cc(Cl)cc2c1N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]21	ZINC000033821669	526345677	/nfs/dbraw/zinc/34/56/77/526345677.db2.gz	RDFIXTNXKOUBJW-LXWQIJBXSA-N	-1	0	489.843	7.372	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(OCc2ccccc2Cl)cc1	ZINC000022519770	527256141	/nfs/dbraw/zinc/25/61/41/527256141.db2.gz	ZCHSAXRRFBQMRK-UHFFFAOYSA-N	-1	0	493.972	5.367	40	0		JKABRM
CCOc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21	ZINC000102915464	535518201	/nfs/dbraw/zinc/51/82/01/535518201.db2.gz	OJOOTGVNBJKFNB-LEAFIULHSA-N	-1	0	493.515	5.157	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1	ZINC000000979727	553890378	/nfs/dbraw/zinc/89/03/78/553890378.db2.gz	RATDFKZPOCESSB-UHFFFAOYSA-N	-1	0	481.357	5.064	40	0		JKABRM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)CCCc3ccc(Cl)cc3Cl)cc2)s1	ZINC000001098003	553906929	/nfs/dbraw/zinc/90/69/29/553906929.db2.gz	MYRLIHOAXBVPJJ-UHFFFAOYSA-N	-1	0	499.445	5.170	40	0		JKABRM
C[C@H](CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc21)c1c[nH]c2ccccc21)C(=O)[O-]	ZINC000001595489	553980160	/nfs/dbraw/zinc/98/01/60/553980160.db2.gz	LXXYVDIURVWJIU-GOSISDBHSA-N	-1	0	465.553	6.073	40	0		JKABRM
O=C([O-])[C@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@](O)(c2ccccc2)C1	ZINC000001675873	553982559	/nfs/dbraw/zinc/98/25/59/553982559.db2.gz	PFXBHAMNGFNJBY-BJKOFHAPSA-N	-1	0	450.332	5.060	40	0		JKABRM
CCOC(=O)C(C(=O)[O-])(C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1	ZINC000001709229	553984329	/nfs/dbraw/zinc/98/43/29/553984329.db2.gz	SULQJKVPDJTIQW-UHFFFAOYSA-N	-1	0	464.561	6.285	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	ZINC000001719580	553984619	/nfs/dbraw/zinc/98/46/19/553984619.db2.gz	OIMNBUIMEWNYHL-UHFFFAOYSA-N	-1	0	474.343	7.182	40	0		JKABRM
[O-]c1c(Cc2cc(Br)c3cccnc3c2O)cc(Br)c2cccnc12	ZINC000001717596	553984710	/nfs/dbraw/zinc/98/47/10/553984710.db2.gz	LNRJVTMGRULMQK-UHFFFAOYSA-N	-1	0	460.125	5.310	40	0		JKABRM
Cc1ccc(NC([S-])=NP(=O)(Oc2ccccc2)Oc2ccccc2)c(Br)c1	ZINC000001751624	553985810	/nfs/dbraw/zinc/98/58/10/553985810.db2.gz	RSOIGINKQYJLDQ-UHFFFAOYSA-N	-1	0	477.320	6.310	40	0		JKABRM
CC(C)(C)Sc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000002243986	554110565	/nfs/dbraw/zinc/11/05/65/554110565.db2.gz	SCXBPQCFWOUPMW-VWLOTQADSA-N	-1	0	475.610	6.112	40	0		JKABRM
O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C(F)(F)F	ZINC000002585891	554238201	/nfs/dbraw/zinc/23/82/01/554238201.db2.gz	WUSGYGWDKAFPBR-QFIPXVFZSA-N	-1	0	455.432	5.760	40	0		JKABRM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(COc4ccc(Cl)cc4)c3)cc2)no1	ZINC000002761041	554331485	/nfs/dbraw/zinc/33/14/85/554331485.db2.gz	LRQAVQKNGRCARC-UHFFFAOYSA-N	-1	0	497.960	5.269	40	0		JKABRM
O=C(Nc1cccc2ccccc21)c1cccc(OC(=S)[N-]c2cccc(Br)c2)c1	ZINC000003079493	554425377	/nfs/dbraw/zinc/42/53/77/554425377.db2.gz	RZZVWOVRBYGLMV-UHFFFAOYSA-N	-1	0	477.383	6.630	40	0		JKABRM
CC(C)(C)c1cc(C(C(=O)[O-])c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O	ZINC000004217528	554476357	/nfs/dbraw/zinc/47/63/57/554476357.db2.gz	YKROJXPZFTZLDK-UHFFFAOYSA-N	-1	0	468.678	7.504	40	0	in-man	JKABRM
C[C@@H]1C(=O)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000005664341	554492650	/nfs/dbraw/zinc/49/26/50/554492650.db2.gz	WHWHDGKOSUKYOV-RVTFQHCCSA-N	-1	0	456.711	7.522	40	0		JKABRM
C[C@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000005664339	554492655	/nfs/dbraw/zinc/49/26/55/554492655.db2.gz	WHWHDGKOSUKYOV-UBQCZFACSA-N	-1	0	456.711	7.522	40	0		JKABRM
C[C@H]1C(=O)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000005664343	554492656	/nfs/dbraw/zinc/49/26/56/554492656.db2.gz	WHWHDGKOSUKYOV-XSHGHPDPSA-N	-1	0	456.711	7.522	40	0		JKABRM
CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cccc(C(=O)[O-])c4)c23)C1	ZINC000006075285	554502327	/nfs/dbraw/zinc/50/23/27/554502327.db2.gz	BAQXSBDCYVGHAI-AWEZNQCLSA-N	-1	0	455.605	5.271	40	0		JKABRM
CC(C)(C)[C@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc5ccccc5c4)c4ccccc34)c2C1	ZINC000008765749	554666528	/nfs/dbraw/zinc/66/65/28/554666528.db2.gz	YBJZUFNWOQZLDP-NRFANRHFSA-N	-1	0	483.633	7.691	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1	ZINC000008810097	554689492	/nfs/dbraw/zinc/68/94/92/554689492.db2.gz	TWNHKIHLZSMADH-UHFFFAOYSA-N	-1	0	469.321	5.194	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1	ZINC000008810415	554690170	/nfs/dbraw/zinc/69/01/70/554690170.db2.gz	DELZZAGWBCZJCH-UHFFFAOYSA-N	-1	0	469.321	5.194	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F)c1ccccc1Cl	ZINC000008810464	554690412	/nfs/dbraw/zinc/69/04/12/554690412.db2.gz	UGTBJMNTBNXQRW-UHFFFAOYSA-N	-1	0	496.947	6.325	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1	ZINC000008810555	554690661	/nfs/dbraw/zinc/69/06/61/554690661.db2.gz	SKUOJVPCLLEMBS-UHFFFAOYSA-N	-1	0	483.348	5.584	40	0		JKABRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1	ZINC000008810552	554690674	/nfs/dbraw/zinc/69/06/74/554690674.db2.gz	FZUDXCIHTHKRME-UHFFFAOYSA-N	-1	0	469.321	5.194	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1	ZINC000008810562	554690907	/nfs/dbraw/zinc/69/09/07/554690907.db2.gz	NZSOSSMNKNQVGB-UHFFFAOYSA-N	-1	0	483.348	5.503	40	0		JKABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1cccc2c(Cl)cccc12	ZINC000008833147	554730030	/nfs/dbraw/zinc/73/00/30/554730030.db2.gz	CGKKXGDLKAEFJY-UHFFFAOYSA-N	-1	0	482.034	5.198	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000008833313	554730792	/nfs/dbraw/zinc/73/07/92/554730792.db2.gz	RJEZVXKNDHODSU-QPJJXVBHSA-N	-1	0	491.352	5.487	40	0		JKABRM
CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3C)c1ccccc21	ZINC000008870451	554765579	/nfs/dbraw/zinc/76/55/79/554765579.db2.gz	IRBXERAPPCCBOL-UHFFFAOYSA-N	-1	0	484.533	5.641	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000008952015	554835417	/nfs/dbraw/zinc/83/54/17/554835417.db2.gz	MDZKJHQSJHYOHJ-GNZWVAJDSA-N	-1	0	472.710	6.204	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000008952018	554835433	/nfs/dbraw/zinc/83/54/33/554835433.db2.gz	MDZKJHQSJHYOHJ-HUECKACPSA-N	-1	0	472.710	6.204	40	0	biogenic	JKABRM
C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000008952125	554835556	/nfs/dbraw/zinc/83/55/56/554835556.db2.gz	WCGUUGGRBIKTOS-QVYVXTSUSA-N	-1	0	456.711	7.090	40	0	biogenic	JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	ZINC000009064756	554883521	/nfs/dbraw/zinc/88/35/21/554883521.db2.gz	SWNMCBJKKKUKRD-JXMROGBWSA-N	-1	0	461.326	5.478	40	0		JKABRM
Cc1ccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1	ZINC000009076344	554887668	/nfs/dbraw/zinc/88/76/68/554887668.db2.gz	IHIZPTOMMUMKHH-PVTPYKNESA-N	-1	0	460.533	5.368	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl	ZINC000009142308	554935485	/nfs/dbraw/zinc/93/54/85/554935485.db2.gz	QBPFEBZRMUXHRI-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)o1	ZINC000009235690	555009787	/nfs/dbraw/zinc/00/97/87/555009787.db2.gz	KXASFDRUZPWWOG-RGVLZGJSSA-N	-1	0	496.928	5.282	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)cc1	ZINC000019934106	555551300	/nfs/dbraw/zinc/55/13/00/555551300.db2.gz	PRFHVTVCXMMABK-UHFFFAOYSA-N	-1	0	472.994	5.166	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1	ZINC000013669389	555559347	/nfs/dbraw/zinc/55/93/47/555559347.db2.gz	AHMNALXHSXGRKS-IBGZPJMESA-N	-1	0	450.604	5.584	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1	ZINC000013669388	555559448	/nfs/dbraw/zinc/55/94/48/555559448.db2.gz	AHMNALXHSXGRKS-LJQANCHMSA-N	-1	0	450.604	5.584	40	0		JKABRM
CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000013669659	555559547	/nfs/dbraw/zinc/55/95/47/555559547.db2.gz	QTXMZLIJBPEQEB-UHFFFAOYSA-N	-1	0	487.021	5.211	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1C	ZINC000013671836	555563496	/nfs/dbraw/zinc/56/34/96/555563496.db2.gz	XLOCPHCBOCAPLW-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2Cl)c1C	ZINC000013674048	555565441	/nfs/dbraw/zinc/56/54/41/555565441.db2.gz	HYVBLQBWQKGHPQ-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3cccc(C)c3)ccc2Cl)cc1	ZINC000013674777	555566082	/nfs/dbraw/zinc/56/60/82/555566082.db2.gz	OYLDSBYEGCDZPG-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)cc1C	ZINC000013676622	555567454	/nfs/dbraw/zinc/56/74/54/555567454.db2.gz	GHAMEKHXRQQESV-KRWDZBQOSA-N	-1	0	454.979	5.349	40	0		JKABRM
O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013678044	555569176	/nfs/dbraw/zinc/56/91/76/555569176.db2.gz	GEPUXXPKNVXWSO-UHFFFAOYSA-N	-1	0	492.666	6.269	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000009972408	555571658	/nfs/dbraw/zinc/57/16/58/555571658.db2.gz	FZPHFDIZKZVTSC-WIJRQFRKSA-N	-1	0	479.385	5.011	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1Cl	ZINC000020035280	555609903	/nfs/dbraw/zinc/60/99/03/555609903.db2.gz	GPCRKGLGSFBJRO-QFIPXVFZSA-N	-1	0	454.979	5.257	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)c1	ZINC000020037275	555611601	/nfs/dbraw/zinc/61/16/01/555611601.db2.gz	TVYJINFLISHNEM-QFIPXVFZSA-N	-1	0	454.979	5.257	40	0		JKABRM
COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000020042526	555614381	/nfs/dbraw/zinc/61/43/81/555614381.db2.gz	RHYSGOQCWLFOEE-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000020044206	555615351	/nfs/dbraw/zinc/61/53/51/555615351.db2.gz	QNKSIQISDANVIR-FQEVSTJZSA-N	-1	0	461.996	5.045	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000010110518	555620596	/nfs/dbraw/zinc/62/05/96/555620596.db2.gz	OVZNDXPMEBCTBT-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000010110514	555620620	/nfs/dbraw/zinc/62/06/20/555620620.db2.gz	DOGZJZUXBCWGFU-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)cc1	ZINC000010112009	555624325	/nfs/dbraw/zinc/62/43/25/555624325.db2.gz	KWYYORPKXYUAET-SFHVURJKSA-N	-1	0	485.049	6.238	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3F)ccc2Cl)cc1	ZINC000010112060	555624558	/nfs/dbraw/zinc/62/45/58/555624558.db2.gz	ZAXCEISGHVQDLB-UHFFFAOYSA-N	-1	0	493.025	5.252	40	0		JKABRM
CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1	ZINC000010112325	555625322	/nfs/dbraw/zinc/62/53/22/555625322.db2.gz	OGHYTWZWTVDBAE-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)c1	ZINC000010112469	555625780	/nfs/dbraw/zinc/62/57/80/555625780.db2.gz	LCINMGNIFWOPBG-QGZVFWFLSA-N	-1	0	454.979	5.349	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000020151072	555668000	/nfs/dbraw/zinc/66/80/00/555668000.db2.gz	IAOOBGIRHLORHO-SOFGYWHQSA-N	-1	0	465.811	5.978	40	0		JKABRM
COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl	ZINC000020153026	555671278	/nfs/dbraw/zinc/67/12/78/555671278.db2.gz	ZJBAIPYDGTVAIV-UHFFFAOYSA-N	-1	0	468.145	5.134	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1	ZINC000020167982	555678286	/nfs/dbraw/zinc/67/82/86/555678286.db2.gz	VDLQWSWYCJAKST-OVQGTLEDSA-N	-1	0	483.630	5.883	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2Cl)c(C)c1	ZINC000014153315	555709051	/nfs/dbraw/zinc/70/90/51/555709051.db2.gz	ZGHZMKYBGIOHDG-UHFFFAOYSA-N	-1	0	455.045	5.019	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccccc3)ccc2Cl)c1	ZINC000014153247	555709073	/nfs/dbraw/zinc/70/90/73/555709073.db2.gz	XHTLFRLSMMVGHR-UHFFFAOYSA-N	-1	0	475.035	5.280	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3)ccc2Cl)c1	ZINC000014153589	555709739	/nfs/dbraw/zinc/70/97/39/555709739.db2.gz	IGJGQXJVCZMKLH-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3cccc(C)c3)ccc2Cl)cc1	ZINC000014154082	555710993	/nfs/dbraw/zinc/71/09/93/555710993.db2.gz	VRBMDJNUCFALOI-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000014154515	555711861	/nfs/dbraw/zinc/71/18/61/555711861.db2.gz	RVYRIYYCTQCRQF-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)c1	ZINC000014154859	555712417	/nfs/dbraw/zinc/71/24/17/555712417.db2.gz	SZASNFPCQAODHB-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014154831	555712469	/nfs/dbraw/zinc/71/24/69/555712469.db2.gz	KFMBELNOLHHRPA-UHFFFAOYSA-N	-1	0	455.750	5.700	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014269457	555759230	/nfs/dbraw/zinc/75/92/30/555759230.db2.gz	XMXAEOLPAFMEBI-UHFFFAOYSA-N	-1	0	465.314	5.087	40	0		JKABRM
CCOc1cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc(OCC)c1OCC	ZINC000014270335	555762352	/nfs/dbraw/zinc/76/23/52/555762352.db2.gz	NPWJHYUYGFGVAB-UHFFFAOYSA-N	-1	0	473.378	5.022	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl	ZINC000014270376	555762646	/nfs/dbraw/zinc/76/26/46/555762646.db2.gz	VCEKFWYTCFILMZ-UHFFFAOYSA-N	-1	0	466.198	6.347	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000014274521	555777065	/nfs/dbraw/zinc/77/70/65/555777065.db2.gz	CLYHDIRYZDAJEZ-JXMROGBWSA-N	-1	0	491.352	5.487	40	0		JKABRM
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(=O)([O-])Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)C2	ZINC000022002069	555860966	/nfs/dbraw/zinc/86/09/66/555860966.db2.gz	GGQHNQQPLWRNHD-UHFFFAOYSA-N	-1	0	486.633	8.339	40	0		JKABRM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)ccc1Cl	ZINC000015188379	555883233	/nfs/dbraw/zinc/88/32/33/555883233.db2.gz	CHERTHIULYKQID-RXJAJXMTSA-N	-1	0	481.935	5.462	40	0		JKABRM
Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3[O-])o2)cc1Cl	ZINC000022738954	555948468	/nfs/dbraw/zinc/94/84/68/555948468.db2.gz	WCMZXSBGWSINPS-FNORWQNLSA-N	-1	0	481.788	6.447	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2O)C(=O)[C@H]13	ZINC000012659661	556100398	/nfs/dbraw/zinc/10/03/98/556100398.db2.gz	QHSKZVKGIKBLPT-MQGQEXDRSA-N	-1	0	491.628	5.407	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2O)C(=O)[C@H]13	ZINC000012659659	556100445	/nfs/dbraw/zinc/10/04/45/556100445.db2.gz	QHSKZVKGIKBLPT-PVYCEXIFSA-N	-1	0	491.628	5.407	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000016384840	556136935	/nfs/dbraw/zinc/13/69/35/556136935.db2.gz	SILSPSNBTRXTIQ-DUXPYHPUSA-N	-1	0	464.157	5.525	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000016384828	556136962	/nfs/dbraw/zinc/13/69/62/556136962.db2.gz	VDJDAMBPBHJPDU-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1	ZINC000016399065	556137150	/nfs/dbraw/zinc/13/71/50/556137150.db2.gz	YCGLAVSIXOJENI-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000016429513	556138886	/nfs/dbraw/zinc/13/88/86/556138886.db2.gz	NTVAPTRWBCFVHT-UHFFFAOYSA-N	-1	0	479.739	5.188	40	0		JKABRM
O=C([O-])CSc1c(-c2ccccc2)nc2ccc(Br)cc2c1-c1ccccc1	ZINC000016492438	556141208	/nfs/dbraw/zinc/14/12/08/556141208.db2.gz	LCDJULJYSSQMEY-UHFFFAOYSA-N	-1	0	450.357	6.508	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1sc2ccccc2c1Cl	ZINC000016525287	556142069	/nfs/dbraw/zinc/14/20/69/556142069.db2.gz	YDKWTBFQGRTLLC-UHFFFAOYSA-N	-1	0	459.763	5.687	40	0		JKABRM
COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cccc(-c2cn3cccc(C)c3n2)c1	ZINC000016780407	556159556	/nfs/dbraw/zinc/15/95/56/556159556.db2.gz	XDJSEILZOUNPOM-UHFFFAOYSA-N	-1	0	486.391	5.190	40	0		JKABRM
O=C([O-])[C@@H](CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NC(=O)OCc1ccccc1	ZINC000016931505	556180925	/nfs/dbraw/zinc/18/09/25/556180925.db2.gz	AYEHDVABVCGAKM-OAQYLSRUSA-N	-1	0	490.408	6.196	40	0		JKABRM
S=c1[n-]c2ccc(N3CN(c4ccc(Br)cc4)CSC3=S)cc2s1	ZINC000017125676	556220848	/nfs/dbraw/zinc/22/08/48/556220848.db2.gz	WZQDZVXOMLMMFX-UHFFFAOYSA-N	-1	0	454.465	5.981	40	0		JKABRM
CCn1c2ccccc2c2cc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)ccc21	ZINC000026114312	556245003	/nfs/dbraw/zinc/24/50/03/556245003.db2.gz	UKLFWYOPJZOIAM-UHFFFAOYSA-N	-1	0	475.595	5.929	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCCC1	ZINC000026115478	556245672	/nfs/dbraw/zinc/24/56/72/556245672.db2.gz	OUYORUSPCHLAPF-UHFFFAOYSA-N	-1	0	478.945	5.118	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCCC1	ZINC000026115370	556245727	/nfs/dbraw/zinc/24/57/27/556245727.db2.gz	GRGVKPIWAJUAQC-UHFFFAOYSA-N	-1	0	468.600	5.238	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCCCC1	ZINC000026116802	556246640	/nfs/dbraw/zinc/24/66/40/556246640.db2.gz	FKWNBKZFOZUVSA-UHFFFAOYSA-N	-1	0	492.972	5.508	40	0		JKABRM
Cc1c(C)c(NC(=O)c2ccc(Br)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786987	556263297	/nfs/dbraw/zinc/26/32/97/556263297.db2.gz	KPYAYRMLGZLJFK-UHFFFAOYSA-N	-1	0	494.794	5.510	40	0		JKABRM
O=[P@@]([O-])(O)[C@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000027987244	556310919	/nfs/dbraw/zinc/31/09/19/556310919.db2.gz	ZZJOMEARMHMSDN-QHCPKHFHSA-N	-1	0	453.866	5.159	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1	ZINC000030751248	556371195	/nfs/dbraw/zinc/37/11/95/556371195.db2.gz	FPRFTWJWRBKKPO-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1	ZINC000030755908	556373213	/nfs/dbraw/zinc/37/32/13/556373213.db2.gz	XCPQKFYTXNIIGT-QFIPXVFZSA-N	-1	0	456.995	5.658	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(OC)cc1	ZINC000030848648	556376503	/nfs/dbraw/zinc/37/65/03/556376503.db2.gz	LXIJEXDNHZQWGZ-OAQYLSRUSA-N	-1	0	472.994	5.339	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000030860054	556381596	/nfs/dbraw/zinc/38/15/96/556381596.db2.gz	ROJHXAQASPZUHQ-SFHVURJKSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000030863118	556382576	/nfs/dbraw/zinc/38/25/76/556382576.db2.gz	JVTVKNNKWAQUAH-DEOSSOPVSA-N	-1	0	482.602	5.217	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000031158164	556393110	/nfs/dbraw/zinc/39/31/10/556393110.db2.gz	RWNHLTKFBKYDOJ-LHFSSXJCSA-N	-1	0	488.709	5.177	40	0	endogenous,in-man	JKABRM
O=C([O-])CCCCCCCc1ccccc1OC(=O)CCCCCCCc1ccccc1O	ZINC000031165281	556393392	/nfs/dbraw/zinc/39/33/92/556393392.db2.gz	UZTIVCFCYPWFAA-UHFFFAOYSA-N	-1	0	454.607	6.849	40	0	biogenic,in-vitro	JKABRM
CCOC(=O)C1=C([O-])c2c(sc(C)c2-c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000031719783	556402368	/nfs/dbraw/zinc/40/23/68/556402368.db2.gz	GMGDELRQOPOUIJ-UHFFFAOYSA-N	-1	0	483.611	5.463	40	0		JKABRM
CCOc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1Br	ZINC000032116568	556424191	/nfs/dbraw/zinc/42/41/91/556424191.db2.gz	PLJVHYIFFSOFQV-UHFFFAOYSA-N	-1	0	493.977	5.331	40	0		JKABRM
Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1Cl	ZINC000032116362	556423319	/nfs/dbraw/zinc/42/33/19/556423319.db2.gz	KBLLYZMFFZTUGN-UHFFFAOYSA-N	-1	0	457.711	6.177	40	0		JKABRM
O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116358	556423333	/nfs/dbraw/zinc/42/33/33/556423333.db2.gz	DYCYKJMONYASEY-UHFFFAOYSA-N	-1	0	489.778	6.347	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000032116368	556423346	/nfs/dbraw/zinc/42/33/46/556423346.db2.gz	ISSFXNNFAAGEAI-UHFFFAOYSA-N	-1	0	471.532	6.083	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)C(Cl)(Cl)Cl	ZINC000032116503	556423785	/nfs/dbraw/zinc/42/37/85/556423785.db2.gz	LTLNMYLBSZXSQV-UHFFFAOYSA-N	-1	0	450.503	5.272	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc(COc2ccccc2)cc1	ZINC000032116497	556423798	/nfs/dbraw/zinc/42/37/98/556423798.db2.gz	ZKFQPPNFUHNIGI-UHFFFAOYSA-N	-1	0	477.152	5.749	40	0		JKABRM
COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116526	556423890	/nfs/dbraw/zinc/42/38/90/556423890.db2.gz	ZNEKITVGVJDCPS-UHFFFAOYSA-N	-1	0	498.358	5.098	40	0		JKABRM
Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1Cl	ZINC000032116486	556423897	/nfs/dbraw/zinc/42/38/97/556423897.db2.gz	NSNBNOJUDPFWRP-UHFFFAOYSA-N	-1	0	478.593	5.006	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(-c2ccccc2)cc1	ZINC000032116510	556423930	/nfs/dbraw/zinc/42/39/30/556423930.db2.gz	BHBMYJDYWNFCJN-UHFFFAOYSA-N	-1	0	485.337	6.882	40	0		JKABRM
Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116586	556424175	/nfs/dbraw/zinc/42/41/75/556424175.db2.gz	AVALCYTZAYDBJK-UHFFFAOYSA-N	-1	0	453.292	5.289	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccc(Br)c1	ZINC000032116576	556424212	/nfs/dbraw/zinc/42/42/12/556424212.db2.gz	NFBCROZKBIPGNP-UHFFFAOYSA-N	-1	0	488.135	5.978	40	0		JKABRM
O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116615	556424425	/nfs/dbraw/zinc/42/44/25/556424425.db2.gz	CQRWTPYTRQXPIF-UHFFFAOYSA-N	-1	0	473.710	5.634	40	0		JKABRM
CCCCCCOc1ccc(C(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1	ZINC000032116659	556424522	/nfs/dbraw/zinc/42/45/22/556424522.db2.gz	RDDDHYFZDSSOKI-UHFFFAOYSA-N	-1	0	471.189	6.129	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cccc2c(Br)cccc12	ZINC000032116748	556425084	/nfs/dbraw/zinc/42/50/84/556425084.db2.gz	SRSCEVVCWZAYKQ-UHFFFAOYSA-N	-1	0	499.984	6.085	40	0		JKABRM
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1sc2c(c1OCC(=O)Nc1ccccc1)CCCC2	ZINC000032121261	556426049	/nfs/dbraw/zinc/42/60/49/556426049.db2.gz	DCFVYJUZQMHFJL-MOSHPQCFSA-N	-1	0	490.585	5.073	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000038454010	560086145	/nfs/dbraw/zinc/08/61/45/560086145.db2.gz	MDZKJHQSJHYOHJ-CIFLVUEOSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000138155483	565199351	/nfs/dbraw/zinc/19/93/51/565199351.db2.gz	HFGSQOYIOKBQOW-LUQNLVPBSA-N	-1	0	472.710	6.060	40	0	biogenic,in-vitro	JKABRM
CC(C)(C)OC(=O)Nc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000008699169	569593661	/nfs/dbraw/zinc/59/36/61/569593661.db2.gz	WYLWBBYGCWMWES-XMMPIXPASA-N	-1	0	488.540	5.698	40	0		JKABRM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)ccc1Cl	ZINC000060188052	569608542	/nfs/dbraw/zinc/60/85/42/569608542.db2.gz	CHERTHIULYKQID-SSVHHLKVSA-N	-1	0	481.935	5.462	40	0		JKABRM
CC(C)[C@H](NC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000062715279	569614268	/nfs/dbraw/zinc/61/42/68/569614268.db2.gz	HCFZMLLFGDQIPE-NWMLYGLHSA-N	-1	0	488.422	5.564	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OCC)c1OCc1ccccc1	ZINC000033422418	569626084	/nfs/dbraw/zinc/62/60/84/569626084.db2.gz	TVCUMZSBOUQULK-HZHRSRAPSA-N	-1	0	486.524	5.488	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000033498368	569626926	/nfs/dbraw/zinc/62/69/26/569626926.db2.gz	UCWDBKPEKIGEBN-QNGOZBTKSA-N	-1	0	450.535	5.778	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2Cl)c(C)c1	ZINC000033547884	569627620	/nfs/dbraw/zinc/62/76/20/569627620.db2.gz	UWEHMGMTHMXQCA-UHFFFAOYSA-N	-1	0	493.810	5.772	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Br)c1	ZINC000033562314	569627904	/nfs/dbraw/zinc/62/79/04/569627904.db2.gz	ZHBLXBFJKFERFR-LICLKQGHSA-N	-1	0	499.292	5.263	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000033563710	569628096	/nfs/dbraw/zinc/62/80/96/569628096.db2.gz	YUVUBBDKXRWUIC-NHDPSOOVSA-N	-1	0	499.928	5.455	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(F)(F)F)c3)C(=O)[N-]C2=S)cc1	ZINC000033596388	569628441	/nfs/dbraw/zinc/62/84/41/569628441.db2.gz	KJZQHITVXIRLRK-XSFVSMFZSA-N	-1	0	469.488	5.730	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc2ccccc2c1	ZINC000033611894	569628770	/nfs/dbraw/zinc/62/87/70/569628770.db2.gz	QJHPHSXNQRHXLJ-BUVRLJJBSA-N	-1	0	496.519	5.913	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)cc3)C(=O)[N-]C2=S)cc1	ZINC000033618808	569628979	/nfs/dbraw/zinc/62/89/79/569628979.db2.gz	MCWIXDBRZDZIAC-HZHRSRAPSA-N	-1	0	460.530	5.639	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000033674814	569630553	/nfs/dbraw/zinc/63/05/53/569630553.db2.gz	IZRLIHMFPOOVTP-UUYOSTAYSA-N	-1	0	479.510	5.110	40	0		JKABRM
O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000033693006	569630952	/nfs/dbraw/zinc/63/09/52/569630952.db2.gz	DGTUYYSBOBSUTN-UHFFFAOYSA-N	-1	0	465.756	5.156	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)cc1C	ZINC000033720694	569631928	/nfs/dbraw/zinc/63/19/28/569631928.db2.gz	ISITXDPZDYHRSK-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1cccc(C)c1	ZINC000033728100	569632282	/nfs/dbraw/zinc/63/22/82/569632282.db2.gz	UKBSDEFDXASYJQ-OEAKJJBVSA-N	-1	0	486.524	5.406	40	0		JKABRM
CCOC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000033733129	569632659	/nfs/dbraw/zinc/63/26/59/569632659.db2.gz	VXEPOBHNRFJPTM-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
O=C(Nc1cccc(Br)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000033778319	569634522	/nfs/dbraw/zinc/63/45/22/569634522.db2.gz	XMWFJZDATQJJJD-UHFFFAOYSA-N	-1	0	465.756	5.156	40	0		JKABRM
O=C(COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(F)cc1	ZINC000033782055	569634616	/nfs/dbraw/zinc/63/46/16/569634616.db2.gz	AMJRGVURTFGLSB-BKUYFWCQSA-N	-1	0	493.878	5.003	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)c(C)c1	ZINC000033826471	569635762	/nfs/dbraw/zinc/63/57/62/569635762.db2.gz	FRBZYJVNICRYRH-UHFFFAOYSA-N	-1	0	464.974	6.163	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl	ZINC000034702028	569649151	/nfs/dbraw/zinc/64/91/51/569649151.db2.gz	XTWCNMSBPJSBFL-UHFFFAOYSA-N	-1	0	459.763	5.687	40	0		JKABRM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)c1	ZINC000034706124	569649562	/nfs/dbraw/zinc/64/95/62/569649562.db2.gz	UZHMTVOXANMJHI-MFKUBSTISA-N	-1	0	497.551	5.444	40	0		JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000034718327	569652124	/nfs/dbraw/zinc/65/21/24/569652124.db2.gz	NUSYCSRGEOFWMS-HMMYKYKNSA-N	-1	0	452.507	5.170	40	0		JKABRM
O=C(Nc1ccccc1Br)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000034719434	569652346	/nfs/dbraw/zinc/65/23/46/569652346.db2.gz	LGBYSFPAGKMMFO-UHFFFAOYSA-N	-1	0	465.756	5.156	40	0		JKABRM
O=C(COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(F)cc1	ZINC000034761109	569657849	/nfs/dbraw/zinc/65/78/49/569657849.db2.gz	RGQFHBZEOMQBBV-UDWIEESQSA-N	-1	0	493.878	5.003	40	0		JKABRM
COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000034771857	569659152	/nfs/dbraw/zinc/65/91/52/569659152.db2.gz	RHVKIPXORZNRFY-UHFFFAOYSA-N	-1	0	474.966	5.027	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000034799592	569661096	/nfs/dbraw/zinc/66/10/96/569661096.db2.gz	RCSPSTNGXGGARN-VCHYOVAHSA-N	-1	0	471.296	5.668	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C(=O)[N-]C2=S)cc1	ZINC000034854761	569667392	/nfs/dbraw/zinc/66/73/92/569667392.db2.gz	BRCHRRZDDNRGSB-HZHRSRAPSA-N	-1	0	487.537	5.408	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)cc1	ZINC000034888612	569669048	/nfs/dbraw/zinc/66/90/48/569669048.db2.gz	JNXBRRZAXIWNNT-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000035045423	569674042	/nfs/dbraw/zinc/67/40/42/569674042.db2.gz	GKRJYPVBGJJUOF-VCHYOVAHSA-N	-1	0	499.292	5.263	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12	ZINC000035104255	569674857	/nfs/dbraw/zinc/67/48/57/569674857.db2.gz	PGZISIBYGAFPMH-MFKUBSTISA-N	-1	0	475.504	5.938	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccccc1F	ZINC000035132228	569675554	/nfs/dbraw/zinc/67/55/54/569675554.db2.gz	WMCPACFYCRLVJK-FYJGNVAPSA-N	-1	0	490.487	5.237	40	0		JKABRM
CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc1OC	ZINC000035145137	569675729	/nfs/dbraw/zinc/67/57/29/569675729.db2.gz	JKEZITYUKOYQFY-MHWRWJLKSA-N	-1	0	489.391	5.090	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000035147330	569675906	/nfs/dbraw/zinc/67/59/06/569675906.db2.gz	FHKDWBHFCRWWSY-QHCPKHFHSA-N	-1	0	488.341	5.596	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000035199245	569678057	/nfs/dbraw/zinc/67/80/57/569678057.db2.gz	XLVXDJFTCCGOKG-CPNJWEJPSA-N	-1	0	461.499	5.397	40	0		JKABRM
COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000035202246	569678246	/nfs/dbraw/zinc/67/82/46/569678246.db2.gz	BEWVCCBUFAHQRH-UHFFFAOYSA-N	-1	0	474.966	5.027	40	0		JKABRM
CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1C	ZINC000035201986	569678260	/nfs/dbraw/zinc/67/82/60/569678260.db2.gz	HUHOPAMAWYWWFY-YBFXNURJSA-N	-1	0	495.557	5.044	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	ZINC000035227289	569678605	/nfs/dbraw/zinc/67/86/05/569678605.db2.gz	FKBUKMFAHGHGRY-RGVLZGJSSA-N	-1	0	494.931	5.721	40	0		JKABRM
CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000035240140	569678709	/nfs/dbraw/zinc/67/87/09/569678709.db2.gz	SDAGCRFHIILHMB-OVCLIPMQSA-N	-1	0	493.741	5.407	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000035252935	569678839	/nfs/dbraw/zinc/67/88/39/569678839.db2.gz	IQAJHSHFXOFGKI-VGSSETLESA-N	-1	0	458.898	5.041	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000035387008	569686954	/nfs/dbraw/zinc/68/69/54/569686954.db2.gz	DKTFJBSZNCZGBV-VXLYETTFSA-N	-1	0	498.894	5.552	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc5ccccc5c4)cc3)C(=O)[N-]C2=S)cc1	ZINC000035405442	569691824	/nfs/dbraw/zinc/69/18/24/569691824.db2.gz	FMVXXTOTFAOJRV-OVVQPSECSA-N	-1	0	492.600	6.653	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@@H]4[C@H](C)[C@@H](C)CC[C@]4(C)CC[C@]23C)[C@]1(C)C(=O)[O-]	ZINC000085978339	569716868	/nfs/dbraw/zinc/71/68/68/569716868.db2.gz	YJBVHJIKNLBFDX-GPCINOHRSA-N	-1	0	498.748	7.660	40	0	in-man	JKABRM
Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])sc3c2CCCCC3)c1	ZINC000035897626	569723134	/nfs/dbraw/zinc/72/31/34/569723134.db2.gz	QAXFTQRBJCFMKX-XTCWOQMQSA-N	-1	0	464.587	5.039	40	0		JKABRM
Cc1sc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])c(C(=O)NCc2ccco2)c1-c1ccccc1	ZINC000035897887	569723372	/nfs/dbraw/zinc/72/33/72/569723372.db2.gz	RFJLOACBINKFCY-KSCDAYEDSA-N	-1	0	490.581	5.098	40	0		JKABRM
CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1	ZINC000095532187	569725477	/nfs/dbraw/zinc/72/54/77/569725477.db2.gz	NRBXCQNRRGOXDR-QHCPKHFHSA-N	-1	0	495.963	5.228	40	0		JKABRM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc2ccccc2c1)C(=O)[O-]	ZINC000095627599	569728395	/nfs/dbraw/zinc/72/83/95/569728395.db2.gz	OVNHOSZZFGJIPG-HHHXNRCGSA-N	-1	0	451.522	5.716	40	0		JKABRM
O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1OC(F)(F)F	ZINC000095748944	569728770	/nfs/dbraw/zinc/72/87/70/569728770.db2.gz	PRXOWODXWIBSPY-OAQYLSRUSA-N	-1	0	457.404	5.250	40	0		JKABRM
CC1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@](C)(C(=O)[O-])CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000095933353	569730708	/nfs/dbraw/zinc/73/07/08/569730708.db2.gz	HVLPFRAXQYBRJO-KQQXWZIHSA-N	-1	0	470.694	6.414	40	0		JKABRM
C[C@H]1[C@H](C(=O)[O-])C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000095933338	569730743	/nfs/dbraw/zinc/73/07/43/569730743.db2.gz	QGMNTKNSMLYTKS-IMAKZUSESA-N	-1	0	470.694	6.269	40	0		JKABRM
CCCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC	ZINC000096791723	569743066	/nfs/dbraw/zinc/74/30/66/569743066.db2.gz	RHKJBKFWHYYCKC-QKDODKLFSA-N	-1	0	486.568	5.315	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000100145074	569753805	/nfs/dbraw/zinc/75/38/05/569753805.db2.gz	JXSVIVRDWWRQRT-MWKHDLDSSA-N	-1	0	488.709	5.033	40	0		JKABRM
Cn1c2ccccc2c([O-])c(C(=O)C[C@@H](Nc2cccc3ccccc32)c2ccc3c(c2)OCO3)c1=O	ZINC000100362093	569758099	/nfs/dbraw/zinc/75/80/99/569758099.db2.gz	QZXRXLHJYSXYAG-HSZRJFAPSA-N	-1	0	492.531	5.552	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000100473646	569761842	/nfs/dbraw/zinc/76/18/42/569761842.db2.gz	JXSVIVRDWWRQRT-YCQRPKTNSA-N	-1	0	488.709	5.033	40	0	biogenic,in-vitro	JKABRM
Cc1cc2oc(=O)c(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2c2occ(-c3ccccc3)c21	ZINC000100784305	569769834	/nfs/dbraw/zinc/76/98/34/569769834.db2.gz	VLDWDGLLVZSXND-PUZFROQSSA-N	-1	0	487.552	5.373	40	0		JKABRM
Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)N(c3ccccc3)O[C@@H]2C1=O	ZINC000101059589	569780608	/nfs/dbraw/zinc/78/06/08/569780608.db2.gz	TUEBVZMUJOZKPU-FSSWDIPSSA-N	-1	0	453.325	5.353	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@@]23C)C1(C)C	ZINC000037246027	569781854	/nfs/dbraw/zinc/78/18/54/569781854.db2.gz	RIXNFYQZWDGQAE-MMIIQLFPSA-N	-1	0	498.748	7.804	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000101706185	569803018	/nfs/dbraw/zinc/80/30/18/569803018.db2.gz	MDZKJHQSJHYOHJ-DHDGIHNCSA-N	-1	0	472.710	6.204	40	0		JKABRM
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]24C=C(C(C)C)[C@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)cc1	ZINC000038555702	569805307	/nfs/dbraw/zinc/80/53/07/569805307.db2.gz	YAHGOSRWKWIBRM-MKDDCPFHSA-N	-1	0	489.656	6.010	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(CSc2ccccc2)cc1	ZINC000038752987	569806423	/nfs/dbraw/zinc/80/64/23/569806423.db2.gz	IKZYEHTVNKFCLO-UHFFFAOYSA-N	-1	0	475.595	5.427	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2Cl)c(C)c1	ZINC000038753531	569806574	/nfs/dbraw/zinc/80/65/74/569806574.db2.gz	UEBBZWPZGVJTDL-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000038755376	569806942	/nfs/dbraw/zinc/80/69/42/569806942.db2.gz	CSTDDERMGUVSMH-SFHVURJKSA-N	-1	0	487.021	5.647	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)cc1	ZINC000038756749	569807376	/nfs/dbraw/zinc/80/73/76/569807376.db2.gz	KZYNLRRRWIGBFP-UHFFFAOYSA-N	-1	0	463.386	5.375	40	0		JKABRM
CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@H]5CC[C@@]43C)[C@H]2C1	ZINC000102457004	569813263	/nfs/dbraw/zinc/81/32/63/569813263.db2.gz	BZXULBWGROURAF-GFHNCWISSA-N	-1	0	456.711	7.234	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])[C@H](C1)C1=CC[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)C[C@@H]2O	ZINC000102457065	569813271	/nfs/dbraw/zinc/81/32/71/569813271.db2.gz	YKOPWPOFWMYZJZ-XGKWYJDCSA-N	-1	0	472.710	6.204	40	0		JKABRM
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1	ZINC000102707258	569816644	/nfs/dbraw/zinc/81/66/44/569816644.db2.gz	MHLNKFGUIRISRN-SDHOMARFSA-N	-1	0	472.903	5.683	40	0		JKABRM
COc1ccc(C([O-])=C(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)cc1	ZINC000102946444	569829738	/nfs/dbraw/zinc/82/97/38/569829738.db2.gz	OAKAJDHFFQYYKP-NRFANRHFSA-N	-1	0	472.324	5.185	40	0		JKABRM
COc1ccc(Cl)cc1Nc1nc(-c2sc([N-]S(=O)(=O)c3ccccc3)nc2C)cs1	ZINC000040556478	569830290	/nfs/dbraw/zinc/83/02/90/569830290.db2.gz	RWRQQEIXIMZFQC-UHFFFAOYSA-N	-1	0	493.035	5.781	40	0		JKABRM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)cc1	ZINC000103014500	569831729	/nfs/dbraw/zinc/83/17/29/569831729.db2.gz	QTEXSGJHQLZBJL-LEAFIULHSA-N	-1	0	493.515	5.157	40	0		JKABRM
Cc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)cc1C	ZINC000103013142	569831754	/nfs/dbraw/zinc/83/17/54/569831754.db2.gz	RFGJFIQFIVPWEU-LBNVMWSVSA-N	-1	0	477.516	5.375	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(C(=O)[O-])ccc2OCC(C)C)nn1CCc1ccccc1	ZINC000103298817	569834386	/nfs/dbraw/zinc/83/43/86/569834386.db2.gz	VIQYBVKVQYFHGA-UHFFFAOYSA-N	-1	0	484.596	6.592	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000040752684	569834680	/nfs/dbraw/zinc/83/46/80/569834680.db2.gz	FMIMFCRXYXVFTA-RKYSZQOTSA-N	-1	0	454.695	7.442	40	0		JKABRM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)occ3-c1ccc(F)cc1	ZINC000103658487	569836858	/nfs/dbraw/zinc/83/68/58/569836858.db2.gz	MZOFHMDQTFOWGC-MAEOIBBWSA-N	-1	0	491.515	5.203	40	0		JKABRM
Cn1c2ccccc2c([O-])c(C(=O)C[C@@H](Nc2ccc3ccccc3c2)c2ccc3c(c2)OCO3)c1=O	ZINC000104827548	569846555	/nfs/dbraw/zinc/84/65/55/569846555.db2.gz	INKVDDSCLPPHAG-HSZRJFAPSA-N	-1	0	492.531	5.552	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1Cc1ccccc1	ZINC000106681870	569854534	/nfs/dbraw/zinc/85/45/34/569854534.db2.gz	PTUGBEGYACIIQN-ZSOIEALJSA-N	-1	0	469.154	5.154	40	0		JKABRM
Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C2=O)c1	ZINC000106705355	569854894	/nfs/dbraw/zinc/85/48/94/569854894.db2.gz	XQAIXDACFJHYGH-JAIQZWGSSA-N	-1	0	453.903	5.843	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1	ZINC000106735266	569855291	/nfs/dbraw/zinc/85/52/91/569855291.db2.gz	JGKHDGLGUVPVQS-GRSHGNNSSA-N	-1	0	457.866	5.674	40	0		JKABRM
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Br)cc(Cl)c3[O-])C2=O)cc1	ZINC000106781189	569855760	/nfs/dbraw/zinc/85/57/60/569855760.db2.gz	SCYQWAVMKRQDOJ-SXGWCWSVSA-N	-1	0	468.756	5.232	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	ZINC000107751175	569857269	/nfs/dbraw/zinc/85/72/69/569857269.db2.gz	PQMYZEFYXJCICU-UHFFFAOYSA-N	-1	0	458.539	5.840	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Cl)cc1C	ZINC000108020996	569858280	/nfs/dbraw/zinc/85/82/80/569858280.db2.gz	YQDOOVYKZGPFKQ-UHFFFAOYSA-N	-1	0	493.810	5.772	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)c1C	ZINC000108040472	569858435	/nfs/dbraw/zinc/85/84/35/569858435.db2.gz	VXSFVZGESYUCNI-UHFFFAOYSA-N	-1	0	464.974	6.163	40	0		JKABRM
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c(OC)c1	ZINC000108085113	569858560	/nfs/dbraw/zinc/85/85/60/569858560.db2.gz	WVDJWIBUTZYQQT-UHFFFAOYSA-N	-1	0	474.966	5.027	40	0		JKABRM
Cc1noc(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)c1NC(=O)O[C@@H](C)c1ccccc1Cl	ZINC000118552856	569862841	/nfs/dbraw/zinc/86/28/41/569862841.db2.gz	WWQTWEWAPUCDDZ-KRWDZBQOSA-N	-1	0	490.943	6.907	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C	ZINC000118915910	569863103	/nfs/dbraw/zinc/86/31/03/569863103.db2.gz	VUCXSJQWKDYYHQ-FDQGBCDJSA-N	-1	0	494.672	6.551	40	0		JKABRM
CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(C)=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@H]3[C@H]12	ZINC000118926484	569863777	/nfs/dbraw/zinc/86/37/77/569863777.db2.gz	FWTXKFKWESMCHS-TUGJFLJPSA-N	-1	0	476.654	5.620	40	0		JKABRM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000122074799	569864265	/nfs/dbraw/zinc/86/42/65/569864265.db2.gz	CBBTWAWCVXJVTL-FBVYSKEZSA-N	-1	0	468.744	7.296	40	0		JKABRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C	ZINC000123351432	569864356	/nfs/dbraw/zinc/86/43/56/569864356.db2.gz	UUJIBKBLRCGCFZ-TYGRWOFBSA-N	-1	0	496.688	6.343	40	0		JKABRM
CCc1cccc(C)c1NC(=O)[C@@H](Sc1ccc(NC(=O)/C=C(\C)C(=O)[O-])cc1)c1ccccc1	ZINC000211523785	569876171	/nfs/dbraw/zinc/87/61/71/569876171.db2.gz	RMPVZHCILIJPKV-GHZVVNKJSA-N	-1	0	488.609	5.999	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1)C(=O)[O-]	ZINC000211519528	569876190	/nfs/dbraw/zinc/87/61/90/569876190.db2.gz	ZOXFDZCMXWGAHW-NUOQETRUSA-N	-1	0	472.566	5.079	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(C)cc1	ZINC000216305349	569878226	/nfs/dbraw/zinc/87/82/26/569878226.db2.gz	PXFGQLCOTUGQPN-HSZRJFAPSA-N	-1	0	471.022	5.947	40	0		JKABRM
Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(=O)oc12	ZINC000217470945	569880084	/nfs/dbraw/zinc/88/00/84/569880084.db2.gz	FILICPQBOYAFHZ-QAQDUYKDSA-N	-1	0	467.562	5.003	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3OCc3ccc(C(=O)[O-])cc3)N21	ZINC000222716728	569889427	/nfs/dbraw/zinc/88/94/27/569889427.db2.gz	BAAYCKPHQVCBPA-VEXUSMLFSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)c(C)c1	ZINC000222771670	569890655	/nfs/dbraw/zinc/89/06/55/569890655.db2.gz	PGXWNUOVYHZELO-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2Cl)c1C	ZINC000222850244	569892657	/nfs/dbraw/zinc/89/26/57/569892657.db2.gz	UUWYZAWXNJSRAE-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2Cl)cc1C	ZINC000222850502	569892737	/nfs/dbraw/zinc/89/27/37/569892737.db2.gz	MWVUVSRUDXJOSM-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000222928345	569894651	/nfs/dbraw/zinc/89/46/51/569894651.db2.gz	ARLXMOBPHLIRFU-UHFFFAOYSA-N	-1	0	457.979	5.678	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc2c(c1)CCCC2	ZINC000223057005	569898019	/nfs/dbraw/zinc/89/80/19/569898019.db2.gz	WFKQJXWPCZRUEH-VWLOTQADSA-N	-1	0	497.060	6.209	40	0		JKABRM
Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000223145982	569901118	/nfs/dbraw/zinc/90/11/18/569901118.db2.gz	DMWZMYPTKLXGQK-UHFFFAOYSA-N	-1	0	485.418	5.330	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccc(OC)cc2)ccc1Cl	ZINC000223167347	569901867	/nfs/dbraw/zinc/90/18/67/569901867.db2.gz	QCALDRAAEZIPGZ-UHFFFAOYSA-N	-1	0	482.341	5.382	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c(C)c1	ZINC000223183504	569902544	/nfs/dbraw/zinc/90/25/44/569902544.db2.gz	OQRIADOUBWKSNK-SFHVURJKSA-N	-1	0	483.033	5.737	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1	ZINC000223202764	569903327	/nfs/dbraw/zinc/90/33/27/569903327.db2.gz	GCXNKPBULWTGHH-UHFFFAOYSA-N	-1	0	471.022	5.504	40	0		JKABRM
COc1cc(C)c([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C(C)C	ZINC000223327312	569907641	/nfs/dbraw/zinc/90/76/41/569907641.db2.gz	KALWIBGULGUJMS-KRWDZBQOSA-N	-1	0	472.632	5.480	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223364502	569908932	/nfs/dbraw/zinc/90/89/32/569908932.db2.gz	XFZQQBVINPOQJR-GOTSBHOMSA-N	-1	0	459.527	5.114	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223400346	569909916	/nfs/dbraw/zinc/90/99/16/569909916.db2.gz	CSCGTCWMGBOKOY-DNQXCXABSA-N	-1	0	455.539	5.213	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2Cl)c(C)c1	ZINC000223428516	569911075	/nfs/dbraw/zinc/91/10/75/569911075.db2.gz	IWAFDYQZKGVCBE-FQEVSTJZSA-N	-1	0	485.049	6.174	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2Cl)cc1C	ZINC000223428860	569911090	/nfs/dbraw/zinc/91/10/90/569911090.db2.gz	MJKQRFOTLIGQLZ-HXUWFJFHSA-N	-1	0	485.049	6.174	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223438441	569911435	/nfs/dbraw/zinc/91/14/35/569911435.db2.gz	VWFHNSHKHFINOQ-JWQCQUIFSA-N	-1	0	485.565	5.221	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223776090	569922962	/nfs/dbraw/zinc/92/29/62/569922962.db2.gz	RFTSVAPMUXAUKJ-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223776118	569922998	/nfs/dbraw/zinc/92/29/98/569922998.db2.gz	RFTSVAPMUXAUKJ-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000223829496	569924567	/nfs/dbraw/zinc/92/45/67/569924567.db2.gz	OUXPFKKWORJCPV-JWQCQUIFSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000223829737	569924596	/nfs/dbraw/zinc/92/45/96/569924596.db2.gz	UOCAIXFJFOCBDN-JWQCQUIFSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223836374	569924735	/nfs/dbraw/zinc/92/47/35/569924735.db2.gz	ASAKIFZLENFBMP-CLJLJLNGSA-N	-1	0	499.592	5.924	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223836258	569924749	/nfs/dbraw/zinc/92/47/49/569924749.db2.gz	ASAKIFZLENFBMP-FTJBHMTQSA-N	-1	0	499.592	5.924	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223912102	569927051	/nfs/dbraw/zinc/92/70/51/569927051.db2.gz	LKCOSUHMNGXGHX-DQEYMECFSA-N	-1	0	484.581	5.283	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2Cl)cc1C	ZINC000223922668	569927389	/nfs/dbraw/zinc/92/73/89/569927389.db2.gz	VOPUQPSOJFGBHW-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1Cl	ZINC000223957876	569928455	/nfs/dbraw/zinc/92/84/55/569928455.db2.gz	WHNYZIMZEQWQRY-UHFFFAOYSA-N	-1	0	476.985	5.953	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2Cl)cc1	ZINC000223961368	569928536	/nfs/dbraw/zinc/92/85/36/569928536.db2.gz	BRVCHTMPPRTJNC-UHFFFAOYSA-N	-1	0	490.968	6.601	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)c1C	ZINC000223962415	569928581	/nfs/dbraw/zinc/92/85/81/569928581.db2.gz	KDHQKXQBHVAVET-UHFFFAOYSA-N	-1	0	477.413	5.384	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)c(C)c1	ZINC000223964662	569928699	/nfs/dbraw/zinc/92/86/99/569928699.db2.gz	JXWPFAGWBRUIJA-UHFFFAOYSA-N	-1	0	477.413	5.384	40	0		JKABRM
CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000223965188	569928691	/nfs/dbraw/zinc/92/86/91/569928691.db2.gz	HCESWUBUWHBRDV-SFHVURJKSA-N	-1	0	451.032	5.704	40	0		JKABRM
Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1C	ZINC000223964077	569928703	/nfs/dbraw/zinc/92/87/03/569928703.db2.gz	YGGCRHMWFHOKQN-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(Cl)cc3)ccc2Cl)c(C)c1	ZINC000223964977	569928710	/nfs/dbraw/zinc/92/87/10/569928710.db2.gz	GFLQFWFQNICEDL-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000223967359	569928844	/nfs/dbraw/zinc/92/88/44/569928844.db2.gz	YHIKEHVLHZMQGS-GOSISDBHSA-N	-1	0	451.032	5.704	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)cc1C	ZINC000223969375	569928909	/nfs/dbraw/zinc/92/89/09/569928909.db2.gz	RFLSAPDVQONLPI-UHFFFAOYSA-N	-1	0	451.032	5.702	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223990920	569929711	/nfs/dbraw/zinc/92/97/11/569929711.db2.gz	AJZFPRABZFWCOI-RPBOFIJWSA-N	-1	0	498.564	5.175	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)ccc3C)ccc2Cl)c(C)c1	ZINC000224002150	569930061	/nfs/dbraw/zinc/93/00/61/569930061.db2.gz	GMZDAZDMTGZXDO-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224032296	569931271	/nfs/dbraw/zinc/93/12/71/569931271.db2.gz	VJIMLHURZUTLIW-DQEYMECFSA-N	-1	0	499.548	5.254	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224212782	569936723	/nfs/dbraw/zinc/93/67/23/569936723.db2.gz	DJLHFARJVZQMLK-ZEQRLZLVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224212826	569936724	/nfs/dbraw/zinc/93/67/24/569936724.db2.gz	DJLHFARJVZQMLK-RPWUZVMVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224212857	569936753	/nfs/dbraw/zinc/93/67/53/569936753.db2.gz	DJLHFARJVZQMLK-BJKOFHAPSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224217967	569936880	/nfs/dbraw/zinc/93/68/80/569936880.db2.gz	GEWWBWYNAHLSNE-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224245258	569937912	/nfs/dbraw/zinc/93/79/12/569937912.db2.gz	SHDSKKUVVGNJIB-DNQXCXABSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224248875	569938068	/nfs/dbraw/zinc/93/80/68/569938068.db2.gz	NGWNYCMAGBTNKI-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224248553	569938084	/nfs/dbraw/zinc/93/80/84/569938084.db2.gz	CMIYQARZTBQEPX-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1	ZINC000224251184	569938147	/nfs/dbraw/zinc/93/81/47/569938147.db2.gz	YCKGSOZFAGPQKZ-DNQXCXABSA-N	-1	0	489.984	6.179	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1NC(=O)C(C)C	ZINC000224252224	569938208	/nfs/dbraw/zinc/93/82/08/569938208.db2.gz	CCDAOOMVBKLTPG-UHFFFAOYSA-N	-1	0	491.034	6.250	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1C	ZINC000224278335	569938968	/nfs/dbraw/zinc/93/89/68/569938968.db2.gz	BYEGUTVEYCDRAN-LOSJGSFVSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1C	ZINC000224278152	569939023	/nfs/dbraw/zinc/93/90/23/569939023.db2.gz	ZPVXISSJWIRZNA-LOSJGSFVSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C	ZINC000224283377	569939272	/nfs/dbraw/zinc/93/92/72/569939272.db2.gz	KAHIQJZGDXUPBA-CLJLJLNGSA-N	-1	0	483.593	6.142	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224312831	569940112	/nfs/dbraw/zinc/94/01/12/569940112.db2.gz	OLBIBRLDKSIHQE-LOSJGSFVSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224316084	569940230	/nfs/dbraw/zinc/94/02/30/569940230.db2.gz	POQOJKCDHSRJKE-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224316037	569940232	/nfs/dbraw/zinc/94/02/32/569940232.db2.gz	POQOJKCDHSRJKE-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224316415	569940298	/nfs/dbraw/zinc/94/02/98/569940298.db2.gz	OLOOWYKSXSWFPW-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224345545	569941326	/nfs/dbraw/zinc/94/13/26/569941326.db2.gz	LEFTWBCPANNYRT-LOSJGSFVSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224348749	569941497	/nfs/dbraw/zinc/94/14/97/569941497.db2.gz	HUPPAGTXZJRJLS-LOSJGSFVSA-N	-1	0	469.566	5.779	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc3c(cc2OC)CCCC3)c1	ZINC000224353388	569941636	/nfs/dbraw/zinc/94/16/36/569941636.db2.gz	NYTORAZYMHXMMG-UHFFFAOYSA-N	-1	0	473.978	5.829	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224377704	569942517	/nfs/dbraw/zinc/94/25/17/569942517.db2.gz	ZGUPQENNLKQFSN-UIOOFZCWSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224380867	569942625	/nfs/dbraw/zinc/94/26/25/569942625.db2.gz	OSDZHBVUQXTWMS-CLJLJLNGSA-N	-1	0	483.593	6.340	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224381063	569942653	/nfs/dbraw/zinc/94/26/53/569942653.db2.gz	YUSYYNHXOYWRRI-CLJLJLNGSA-N	-1	0	483.593	6.340	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1	ZINC000224382997	569942663	/nfs/dbraw/zinc/94/26/63/569942663.db2.gz	RSGHBLDAJYSCDT-SVBPBHIXSA-N	-1	0	497.620	6.649	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224412665	569943814	/nfs/dbraw/zinc/94/38/14/569943814.db2.gz	AVRPPCPQRIWLAJ-DHIUTWEWSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1	ZINC000224446121	569944800	/nfs/dbraw/zinc/94/48/00/569944800.db2.gz	NGNVPECYBCFCFS-DHIUTWEWSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224448388	569944866	/nfs/dbraw/zinc/94/48/66/569944866.db2.gz	KLBKETSHDCTXKT-GOTSBHOMSA-N	-1	0	493.947	6.009	40	0		JKABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)s1	ZINC000224451889	569944926	/nfs/dbraw/zinc/94/49/26/569944926.db2.gz	BCBFUUHVWMEEHF-UHFFFAOYSA-N	-1	0	482.612	5.051	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224477258	569945658	/nfs/dbraw/zinc/94/56/58/569945658.db2.gz	VTKXTDVJTHNEFS-DHIUTWEWSA-N	-1	0	475.957	5.870	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000224537987	569947674	/nfs/dbraw/zinc/94/76/74/569947674.db2.gz	ODBDXMONYUKUHG-KRWDZBQOSA-N	-1	0	456.995	5.503	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224546262	569947923	/nfs/dbraw/zinc/94/79/23/569947923.db2.gz	LDJFSUGNUXKCOG-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224546333	569947934	/nfs/dbraw/zinc/94/79/34/569947934.db2.gz	DNURUGKQIQIHSJ-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224548268	569947969	/nfs/dbraw/zinc/94/79/69/569947969.db2.gz	UCKRKUQTVKLSGG-RPBOFIJWSA-N	-1	0	485.565	5.534	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000224582123	569949496	/nfs/dbraw/zinc/94/94/96/569949496.db2.gz	XFIOVRPBQVOVGY-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000224582174	569949501	/nfs/dbraw/zinc/94/95/01/569949501.db2.gz	XFIOVRPBQVOVGY-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(C)cc4)s3)ccc21	ZINC000224712103	569954487	/nfs/dbraw/zinc/95/44/87/569954487.db2.gz	COUWSFKJGVZVIJ-UHFFFAOYSA-N	-1	0	491.598	5.027	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)c1	ZINC000224869648	569961075	/nfs/dbraw/zinc/96/10/75/569961075.db2.gz	TUXXTEBTIQFSTL-UHFFFAOYSA-N	-1	0	498.910	5.909	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224878877	569961479	/nfs/dbraw/zinc/96/14/79/569961479.db2.gz	ZMJXCLFNFYNEBW-PKTZIBPZSA-N	-1	0	490.972	5.107	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224878697	569961507	/nfs/dbraw/zinc/96/15/07/569961507.db2.gz	OUPSKFBLJWJXTA-PKTZIBPZSA-N	-1	0	490.972	5.107	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1	ZINC000224882061	569961762	/nfs/dbraw/zinc/96/17/62/569961762.db2.gz	WVNQBPMNCOLHJC-GOTSBHOMSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)ccc1F	ZINC000224907971	569962831	/nfs/dbraw/zinc/96/28/31/569962831.db2.gz	REEFFPTYEVANOC-RPWUZVMVSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)ccc1F	ZINC000224907934	569962867	/nfs/dbraw/zinc/96/28/67/569962867.db2.gz	REEFFPTYEVANOC-ZEQRLZLVSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)ccc1F	ZINC000224908241	569962880	/nfs/dbraw/zinc/96/28/80/569962880.db2.gz	LQCHWFNDPBSFNV-DNQXCXABSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1F	ZINC000224910956	569963019	/nfs/dbraw/zinc/96/30/19/569963019.db2.gz	HDFMPWMLAILVIJ-BJKOFHAPSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc(C(=O)[O-])c2)cc1Cl	ZINC000408605332	569970718	/nfs/dbraw/zinc/97/07/18/569970718.db2.gz	GLEOJUFBHKQFIM-UHFFFAOYSA-N	-1	0	459.329	5.630	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)cc1	ZINC000408606574	569971273	/nfs/dbraw/zinc/97/12/73/569971273.db2.gz	KUYVKDPXEOTOBW-UHFFFAOYSA-N	-1	0	456.567	5.315	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1Cl	ZINC000408608535	569971878	/nfs/dbraw/zinc/97/18/78/569971878.db2.gz	NXNUMIVSYXSNAW-UHFFFAOYSA-N	-1	0	458.967	5.489	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000408609140	569972007	/nfs/dbraw/zinc/97/20/07/569972007.db2.gz	LUPHQSUWAOURFJ-UHFFFAOYSA-N	-1	0	490.781	6.391	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055813	569972267	/nfs/dbraw/zinc/97/22/67/569972267.db2.gz	BFYIUTCCDMPNEP-UIOOFZCWSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)c1	ZINC000408614079	569973643	/nfs/dbraw/zinc/97/36/43/569973643.db2.gz	YBZUGWVKSPCCQY-UHFFFAOYSA-N	-1	0	491.179	6.101	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1	ZINC000408614132	569973765	/nfs/dbraw/zinc/97/37/65/569973765.db2.gz	YRHZQSBQMQBZFZ-UHFFFAOYSA-N	-1	0	474.326	5.876	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2Cl)c1C	ZINC000408614760	569974237	/nfs/dbraw/zinc/97/42/37/569974237.db2.gz	HKNPTYSRRLNIOY-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)c(C)c1	ZINC000225111976	569975543	/nfs/dbraw/zinc/97/55/43/569975543.db2.gz	OQAMKFZWHTUIHH-JOCHJYFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)c1C	ZINC000408620089	569977572	/nfs/dbraw/zinc/97/75/72/569977572.db2.gz	MVNQLWCRULRCCO-UHFFFAOYSA-N	-1	0	473.038	5.456	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)oc2ccccc23)s1)c1ccccc1Cl	ZINC000225151562	569978332	/nfs/dbraw/zinc/97/83/32/569978332.db2.gz	FFVWGIOQZGUDOW-UHFFFAOYSA-N	-1	0	484.946	5.144	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2Cl)c1	ZINC000225169368	569979773	/nfs/dbraw/zinc/97/97/73/569979773.db2.gz	SGSBDSUWWOEHQY-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2Cl)cc1C	ZINC000408630429	569982193	/nfs/dbraw/zinc/98/21/93/569982193.db2.gz	UMRWOSPLBCVPLW-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])o1	ZINC000408630537	569982279	/nfs/dbraw/zinc/98/22/79/569982279.db2.gz	BFEMAHGMBRLUMS-NVMNQCDNSA-N	-1	0	481.357	5.744	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Br)c(Sc3ccccc3)o2)C(=O)[O-])n[nH]1	ZINC000408630540	569982366	/nfs/dbraw/zinc/98/23/66/569982366.db2.gz	BGQJSFNWNWLBGL-UVTDQMKNSA-N	-1	0	466.382	5.482	40	0		JKABRM
CCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n[nH]1	ZINC000408630486	569982372	/nfs/dbraw/zinc/98/23/72/569982372.db2.gz	AHMQFWRCYQLXRY-MFOYZWKCSA-N	-1	0	484.792	6.124	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C(=O)[O-])o1	ZINC000408630522	569982377	/nfs/dbraw/zinc/98/23/77/569982377.db2.gz	AYRFISOTWUUESB-WQRHYEAKSA-N	-1	0	491.363	5.200	40	0		JKABRM
CCn1c(S/C(=C\c2cc(C(C)C)c(OC)cc2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408630729	569982483	/nfs/dbraw/zinc/98/24/83/569982483.db2.gz	AQBGQHOSCLLBLK-BKUYFWCQSA-N	-1	0	472.010	6.277	40	0		JKABRM
CCCc1nc(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631118	569982728	/nfs/dbraw/zinc/98/27/28/569982728.db2.gz	FCIQYZATOMCLAA-BKUYFWCQSA-N	-1	0	466.994	5.940	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c(C)n(C)c3ccccc23)C(=O)[O-])o1	ZINC000408631182	569982847	/nfs/dbraw/zinc/98/28/47/569982847.db2.gz	CNKDPMBYRBDGOS-ODLFYWEKSA-N	-1	0	455.923	5.417	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631225	569982867	/nfs/dbraw/zinc/98/28/67/569982867.db2.gz	GKJNWXYOTNRUOH-NDENLUEZSA-N	-1	0	452.967	5.631	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])o1	ZINC000408631172	569982877	/nfs/dbraw/zinc/98/28/77/569982877.db2.gz	FREZAPWALQRZPZ-YVLHZVERSA-N	-1	0	495.782	5.845	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631372	569982935	/nfs/dbraw/zinc/98/29/35/569982935.db2.gz	ICGFJDNIGJCLJX-HAHDFKILSA-N	-1	0	475.570	5.716	40	0		JKABRM
CCn1c(S/C(=C\c2cc(C)n(-c3cccnc3)c2C)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631484	569982937	/nfs/dbraw/zinc/98/29/37/569982937.db2.gz	FDFZQPYNWPBGRK-BKUYFWCQSA-N	-1	0	479.993	5.639	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000408631423	569982938	/nfs/dbraw/zinc/98/29/38/569982938.db2.gz	IPWYZHKBXSTHEU-OCKHKDLRSA-N	-1	0	481.357	5.880	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)[O-])o1	ZINC000408631431	569983008	/nfs/dbraw/zinc/98/30/08/569983008.db2.gz	IUAPYENDYSIAGO-YVLHZVERSA-N	-1	0	451.331	5.736	40	0		JKABRM
Cc1nnc(S/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])o1	ZINC000408631412	569983009	/nfs/dbraw/zinc/98/30/09/569983009.db2.gz	IOIKWKVKJVKTAZ-MTJSOVHGSA-N	-1	0	452.919	5.981	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(I)c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408631701	569983236	/nfs/dbraw/zinc/98/32/36/569983236.db2.gz	AQDHKDAXKIOGGI-ZROIWOOFSA-N	-1	0	484.702	5.212	40	0		JKABRM
Cc1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)[O-])o1	ZINC000408631604	569983058	/nfs/dbraw/zinc/98/30/58/569983058.db2.gz	KRUXJVNTIYKUME-ZDLGFXPLSA-N	-1	0	461.337	5.246	40	0		JKABRM
CC(C)Oc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc12	ZINC000408631677	569983103	/nfs/dbraw/zinc/98/31/03/569983103.db2.gz	AHUFGBHJWSXRFX-BKUYFWCQSA-N	-1	0	466.946	6.548	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Br)s2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631545	569983112	/nfs/dbraw/zinc/98/31/12/569983112.db2.gz	FMBWGYOYNQLOBA-LCYFTJDESA-N	-1	0	470.801	5.660	40	0		JKABRM
CCn1c2ccccc2c2cc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])ccc21	ZINC000408631647	569983127	/nfs/dbraw/zinc/98/31/27/569983127.db2.gz	AETSEVIDXKJJNE-HMAPJEAMSA-N	-1	0	475.957	6.736	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1cccc2ccccc21)Sc1nc2ccccc2[nH]1	ZINC000408631721	569983193	/nfs/dbraw/zinc/98/31/93/569983193.db2.gz	BDIXFKOVPBJHPL-XYGWBWBKSA-N	-1	0	452.535	6.513	40	0		JKABRM
CCn1c(S/C(=C\c2c(OC(C)C)ccc3ccccc32)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631763	569983194	/nfs/dbraw/zinc/98/31/94/569983194.db2.gz	GFKYJIFNSFAXQF-HAHDFKILSA-N	-1	0	494.016	6.777	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408631682	569983216	/nfs/dbraw/zinc/98/32/16/569983216.db2.gz	AJJIGDUKYOFMBO-ZDLGFXPLSA-N	-1	0	492.771	6.910	40	0		JKABRM
CCn1c(S/C(=C\c2c(OC)ccc3ccccc32)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408631724	569983218	/nfs/dbraw/zinc/98/32/18/569983218.db2.gz	BFAOBMMJCGILHL-STZFKDTASA-N	-1	0	465.962	5.998	40	0		JKABRM
CCc1nnc(S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[O-])o1	ZINC000408631776	569983237	/nfs/dbraw/zinc/98/32/37/569983237.db2.gz	LHSCYQIMLGVLEK-GRSHGNNSSA-N	-1	0	474.369	6.160	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408631960	569983313	/nfs/dbraw/zinc/98/33/13/569983313.db2.gz	BSHVFFMANMPPJE-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631891	569983355	/nfs/dbraw/zinc/98/33/55/569983355.db2.gz	MWBUDMYUTXFFHG-MTJSOVHGSA-N	-1	0	453.564	5.098	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408632161	569983453	/nfs/dbraw/zinc/98/34/53/569983453.db2.gz	OGFYUHXNLKGSCM-YVLHZVERSA-N	-1	0	494.798	5.580	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])o1	ZINC000408632181	569983460	/nfs/dbraw/zinc/98/34/60/569983460.db2.gz	OLCMCXOGUZVIBX-YVLHZVERSA-N	-1	0	479.327	5.330	40	0		JKABRM
Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408632080	569983495	/nfs/dbraw/zinc/98/34/95/569983495.db2.gz	MTKBXEKDIVHGSG-JAIQZWGSSA-N	-1	0	484.375	5.670	40	0		JKABRM
Cc1nnc(S/C(=C\c2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])o1	ZINC000408632102	569983501	/nfs/dbraw/zinc/98/35/01/569983501.db2.gz	VQQZVBAICNZHPK-MFOYZWKCSA-N	-1	0	465.300	5.076	40	0		JKABRM
O=C([O-])C[C@H](NC(=S)Nc1ccc(Oc2ccccc2)nn1)c1ccc(Cl)cc1Cl	ZINC000225222246	569983510	/nfs/dbraw/zinc/98/35/10/569983510.db2.gz	JMFVYDOPMDPQFM-INIZCTEOSA-N	-1	0	463.346	5.078	40	0		JKABRM
O=C([O-])C[C@@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000225222744	569983544	/nfs/dbraw/zinc/98/35/44/569983544.db2.gz	UDVMUHROGIYGIJ-GOSISDBHSA-N	-1	0	461.971	5.528	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccccc1F)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632347	569983572	/nfs/dbraw/zinc/98/35/72/569983572.db2.gz	DPZCCKJYYPYSRS-BKUYFWCQSA-N	-1	0	482.920	6.326	40	0		JKABRM
COc1ccc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])cc1Br	ZINC000408632229	569983576	/nfs/dbraw/zinc/98/35/76/569983576.db2.gz	OZXSKKUCLHOJSK-PXNMLYILSA-N	-1	0	496.770	5.123	40	0		JKABRM
CSc1ccc([C@@H](CC(=O)[O-])NC(=S)Nc2c(C)cc(Br)cc2C)cc1	ZINC000225223935	569983648	/nfs/dbraw/zinc/98/36/48/569983648.db2.gz	ANJGSBHZYRZUEX-MRXNPFEDSA-N	-1	0	453.427	5.290	40	0		JKABRM
O=C([O-])C[C@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000225223070	569983687	/nfs/dbraw/zinc/98/36/87/569983687.db2.gz	FVWWLJVEAWXPBB-SFHVURJKSA-N	-1	0	478.426	6.042	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408632481	569983700	/nfs/dbraw/zinc/98/37/00/569983700.db2.gz	QMBUYDFMKAYHSD-YVLHZVERSA-N	-1	0	494.798	5.580	40	0		JKABRM
COC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cc1	ZINC000408632673	569983826	/nfs/dbraw/zinc/98/38/26/569983826.db2.gz	GSLNEKTZVRUWGB-UNOMPAQXSA-N	-1	0	481.917	5.390	40	0		JKABRM
Cc1nnc(S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])o1	ZINC000408632606	569983849	/nfs/dbraw/zinc/98/38/49/569983849.db2.gz	RVQOBNYWIGIEBC-UWVJOHFNSA-N	-1	0	460.342	5.906	40	0		JKABRM
O=C([O-])C(=Cc1ccccc1OCc1ccc(Cl)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632678	569983916	/nfs/dbraw/zinc/98/39/16/569983916.db2.gz	GUQYKSORPKSUJH-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632640	569983938	/nfs/dbraw/zinc/98/39/38/569983938.db2.gz	GGKFEBHLFMDKIH-ZDLGFXPLSA-N	-1	0	492.771	6.910	40	0		JKABRM
CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](CC(=O)[O-])c3cccc(Cl)c3)n2)cc1	ZINC000225227081	569984038	/nfs/dbraw/zinc/98/40/38/569984038.db2.gz	CWYYGNSTXDRYJN-LJQANCHMSA-N	-1	0	485.997	5.083	40	0		JKABRM
COc1c(Br)cc(Br)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-]	ZINC000408632944	569984217	/nfs/dbraw/zinc/98/42/17/569984217.db2.gz	HXHTVIVEJRXPRQ-AUWJEWJLSA-N	-1	0	484.169	5.314	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)[O-])o2)c1	ZINC000408633086	569984136	/nfs/dbraw/zinc/98/41/36/569984136.db2.gz	LJVQZGMTTCQXLB-FMCGGJTJSA-N	-1	0	490.537	5.551	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)[O-])o1	ZINC000408632911	569984171	/nfs/dbraw/zinc/98/41/71/569984171.db2.gz	VANFCMDBUHVQKO-WQRHYEAKSA-N	-1	0	475.364	5.500	40	0		JKABRM
CCOC(=O)Cn1c(C)c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc21	ZINC000408632928	569984193	/nfs/dbraw/zinc/98/41/93/569984193.db2.gz	HQZNBLAKTHAALK-NDENLUEZSA-N	-1	0	497.960	5.434	40	0		JKABRM
COc1ccc(/C=C(/Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1Cl	ZINC000408633081	569984195	/nfs/dbraw/zinc/98/41/95/569984195.db2.gz	LIZSMRQJHVSHCT-LZYBPNLTSA-N	-1	0	453.303	5.278	40	0		JKABRM
O=C([O-])C(=Cc1ccc(Sc2ccccc2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632937	569984196	/nfs/dbraw/zinc/98/41/96/569984196.db2.gz	HTWSGNFGGWRTPM-ATVHPVEESA-N	-1	0	455.948	6.087	40	0		JKABRM
CCCc1nc(SC(=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408633104	569984329	/nfs/dbraw/zinc/98/43/29/569984329.db2.gz	VWZZLJAHPLTZQI-BKUYFWCQSA-N	-1	0	466.994	5.940	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccccc2F)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633260	569984334	/nfs/dbraw/zinc/98/43/34/569984334.db2.gz	JLBULDGVICCOPA-BKUYFWCQSA-N	-1	0	482.920	6.326	40	0		JKABRM
CCC1(CC)C[C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1	ZINC000225230255	569984454	/nfs/dbraw/zinc/98/44/54/569984454.db2.gz	GYQQFVDDZGBWBZ-XMMPIXPASA-N	-1	0	478.614	5.608	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)s1)c1ccc(Cl)cc1Cl	ZINC000225230194	569984466	/nfs/dbraw/zinc/98/44/66/569984466.db2.gz	WBRMEERFQICBTN-UHFFFAOYSA-N	-1	0	498.200	5.205	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)[O-])o1	ZINC000408633477	569984549	/nfs/dbraw/zinc/98/45/49/569984549.db2.gz	NGUMWUINTLLPCZ-UNOMPAQXSA-N	-1	0	488.352	6.061	40	0		JKABRM
CCc1nc(SC(=Cc2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408633527	569984567	/nfs/dbraw/zinc/98/45/67/569984567.db2.gz	ZJIRWYKPXLLTNX-NDENLUEZSA-N	-1	0	452.967	5.550	40	0		JKABRM
CCc1nc(SC(=Cc2cc(Br)ccc2OCc2ccc(C)cc2)C(=O)[O-])n[nH]1	ZINC000408633545	569984571	/nfs/dbraw/zinc/98/45/71/569984571.db2.gz	ZWWASVKCBOSYFB-WQRHYEAKSA-N	-1	0	474.380	5.235	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])n[nH]1	ZINC000408633487	569984591	/nfs/dbraw/zinc/98/45/91/569984591.db2.gz	YZZGCFCKRACHSU-XKZIYDEJSA-N	-1	0	493.972	5.931	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408633558	569984617	/nfs/dbraw/zinc/98/46/17/569984617.db2.gz	KNJLQCCAGHGPHE-QRVIBDJDSA-N	-1	0	459.958	6.437	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(Br)cc2)C(=O)[O-])o1	ZINC000408633762	569984680	/nfs/dbraw/zinc/98/46/80/569984680.db2.gz	PAZSINFZCGYJJE-NVNXTCNLSA-N	-1	0	467.728	5.379	40	0		JKABRM
O=C([O-])C(=Cc1ccc(OCc2ccc(F)cc2)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408633609	569984691	/nfs/dbraw/zinc/98/46/91/569984691.db2.gz	KUYRFNZELDVFOA-BKUYFWCQSA-N	-1	0	481.936	6.061	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])ccc1OC(C)C	ZINC000408633761	569984713	/nfs/dbraw/zinc/98/47/13/569984713.db2.gz	PARYUTYMEWPHFG-STZFKDTASA-N	-1	0	488.009	6.022	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(Cl)c1OC	ZINC000408633638	569984720	/nfs/dbraw/zinc/98/47/20/569984720.db2.gz	LCPZHCRNFSEXMC-YBEGLDIGSA-N	-1	0	467.330	5.669	40	0		JKABRM
CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-]	ZINC000408633759	569984723	/nfs/dbraw/zinc/98/47/23/569984723.db2.gz	PAJNZPYGACNHMJ-MFOYZWKCSA-N	-1	0	467.330	5.669	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])ccc1OC(C)C	ZINC000408633827	569984775	/nfs/dbraw/zinc/98/47/75/569984775.db2.gz	MEZJLWWYCCTXQM-UNOMPAQXSA-N	-1	0	459.955	5.529	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(O)c(Br)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408633933	569984793	/nfs/dbraw/zinc/98/47/93/569984793.db2.gz	NSPSSDDJAMJOBV-YBEGLDIGSA-N	-1	0	480.771	5.304	40	0		JKABRM
COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(Br)c1OC	ZINC000408633860	569984803	/nfs/dbraw/zinc/98/48/03/569984803.db2.gz	MOVGNCJFIRPJNC-DHDCSXOGSA-N	-1	0	496.770	5.123	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408633830	569984808	/nfs/dbraw/zinc/98/48/08/569984808.db2.gz	MGARYGBTQPLABI-QRVIBDJDSA-N	-1	0	460.942	6.702	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])o1	ZINC000408633955	569984846	/nfs/dbraw/zinc/98/48/46/569984846.db2.gz	QIFMRTOKFAITDX-PXNMLYILSA-N	-1	0	483.329	5.287	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)[O-])o2)c1	ZINC000408634041	569984952	/nfs/dbraw/zinc/98/49/52/569984952.db2.gz	RHUUPXVXNMOJPT-MTJSOVHGSA-N	-1	0	498.944	6.193	40	0		JKABRM
COc1c(Br)cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br	ZINC000408634127	569985033	/nfs/dbraw/zinc/98/50/33/569985033.db2.gz	PLIXMHBETLJDNW-ZSOIEALJSA-N	-1	0	484.169	5.314	40	0		JKABRM
COc1ccc2ccccc2c1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)[O-]	ZINC000408634289	569985038	/nfs/dbraw/zinc/98/50/38/569985038.db2.gz	TXRHHUAXMIUKJR-NDENLUEZSA-N	-1	0	468.918	5.778	40	0		JKABRM
CCOC(=O)c1ccc(-c2ccc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)[O-])o2)cc1	ZINC000408634340	569985060	/nfs/dbraw/zinc/98/50/60/569985060.db2.gz	PWCQKRHQGZDWSR-MOSHPQCFSA-N	-1	0	496.928	6.045	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(O)c(Br)c2)C(=O)[O-])o1	ZINC000408634547	569985126	/nfs/dbraw/zinc/98/51/26/569985126.db2.gz	VZWLCUOIDZDQHQ-CHHVJCJISA-N	-1	0	483.727	5.085	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Br)cc1)Sc1nc2ccccc2[nH]1	ZINC000408634442	569985159	/nfs/dbraw/zinc/98/51/59/569985159.db2.gz	RGTZPLQXIYMIIF-BKUYFWCQSA-N	-1	0	481.371	6.122	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccccc3OCc3ccccc3)C(=O)[O-])n[nH]2)c1	ZINC000408634652	569985303	/nfs/dbraw/zinc/98/53/03/569985303.db2.gz	WBXUOOVRTZNWAX-UCQKPKSFSA-N	-1	0	489.553	5.286	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1Cl	ZINC000408634676	569985312	/nfs/dbraw/zinc/98/53/12/569985312.db2.gz	WJLIINRNOUVNRP-PDGQHHTCSA-N	-1	0	464.374	5.888	40	0		JKABRM
CCn1c(S/C(=C/c2cc(Cl)ccc2OC(C)C)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634900	569985400	/nfs/dbraw/zinc/98/54/00/569985400.db2.gz	XTDHGAIKDCMYRB-XDHOZWIPSA-N	-1	0	478.401	6.277	40	0		JKABRM
CCn1c(SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634866	569985421	/nfs/dbraw/zinc/98/54/21/569985421.db2.gz	XJTYYBHQQSQGJM-HMAPJEAMSA-N	-1	0	493.972	6.299	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc(Cl)c1OCc1ccccc1	ZINC000408635015	569985504	/nfs/dbraw/zinc/98/55/04/569985504.db2.gz	WMUGYIPYTNNSSW-BKUYFWCQSA-N	-1	0	467.930	6.287	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(Br)c1OC	ZINC000408635192	569985510	/nfs/dbraw/zinc/98/55/10/569985510.db2.gz	XXEPCMJDNBJEOP-DHDCSXOGSA-N	-1	0	497.754	5.388	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)ccc1OCc1ccccc1)Sc1nc2ccccc2o1	ZINC000408635032	569985516	/nfs/dbraw/zinc/98/55/16/569985516.db2.gz	WYDBMDUYCNCHAX-BKUYFWCQSA-N	-1	0	482.355	6.387	40	0		JKABRM
O=C([O-])/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408635337	569985618	/nfs/dbraw/zinc/98/56/18/569985618.db2.gz	ZNLVGQIAYVFQCK-QRVIBDJDSA-N	-1	0	487.512	5.778	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(OC)c(Br)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408635270	569985679	/nfs/dbraw/zinc/98/56/79/569985679.db2.gz	ZQPRSHAKSGBLKV-BOPFTXTBSA-N	-1	0	494.798	5.607	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)Sc1nc2ccccc2o1	ZINC000408635232	569985681	/nfs/dbraw/zinc/98/56/81/569985681.db2.gz	YMOWZBMUGGXHHA-MTJSOVHGSA-N	-1	0	472.349	6.931	40	0		JKABRM
CCn1c2ccccc2c2cc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])ccc21	ZINC000408635342	569985695	/nfs/dbraw/zinc/98/56/95/569985695.db2.gz	ZPDUTEAODFLQOX-HMAPJEAMSA-N	-1	0	474.973	6.471	40	0		JKABRM
Cc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])c(C)n1-c1cccnc1	ZINC000408635329	569985716	/nfs/dbraw/zinc/98/57/16/569985716.db2.gz	ZIEKKSQDXJRCLV-ODLFYWEKSA-N	-1	0	451.939	5.145	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000225352581	569992366	/nfs/dbraw/zinc/99/23/66/569992366.db2.gz	FARJJQSECGTHHJ-FTJBHMTQSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000225355406	569992549	/nfs/dbraw/zinc/99/25/49/569992549.db2.gz	FJAZNXKVSAHFQK-CLJLJLNGSA-N	-1	0	499.592	6.004	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000225355349	569992564	/nfs/dbraw/zinc/99/25/64/569992564.db2.gz	FJAZNXKVSAHFQK-FTJBHMTQSA-N	-1	0	499.592	6.004	40	0		JKABRM
COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc([N-]S(=O)(=O)c3cccs3)cc1)CC2=O	ZINC000225382648	569994151	/nfs/dbraw/zinc/99/41/51/569994151.db2.gz	DJRISQIUARIKPV-SFHVURJKSA-N	-1	0	494.594	5.075	40	0		JKABRM
CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000225565522	570006055	/nfs/dbraw/zinc/00/60/55/570006055.db2.gz	VCRCZOPHRUEPSX-GOSISDBHSA-N	-1	0	471.022	5.811	40	0		JKABRM
Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000408679946	570012003	/nfs/dbraw/zinc/01/20/03/570012003.db2.gz	XAUFZPDQOIOSHD-UHFFFAOYSA-N	-1	0	499.803	5.774	40	0		JKABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)s1	ZINC000225700972	570015961	/nfs/dbraw/zinc/01/59/61/570015961.db2.gz	UXYZVIKKZVNSKD-UHFFFAOYSA-N	-1	0	497.067	5.269	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2Cl)cc1	ZINC000225739631	570018809	/nfs/dbraw/zinc/01/88/09/570018809.db2.gz	MSDWMRUPXLGUEF-UHFFFAOYSA-N	-1	0	456.995	5.200	40	0		JKABRM
CCC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1OC	ZINC000408697078	570018983	/nfs/dbraw/zinc/01/89/83/570018983.db2.gz	HDNMKHSPYZUNPL-UHFFFAOYSA-N	-1	0	460.939	5.290	40	0		JKABRM
CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225746857	570019622	/nfs/dbraw/zinc/01/96/22/570019622.db2.gz	JZAKMLIMVRXRES-UHFFFAOYSA-N	-1	0	456.614	5.024	40	0		JKABRM
O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)ccc2n1Cc1ccccc1Cl	ZINC000225798843	570022186	/nfs/dbraw/zinc/02/21/86/570022186.db2.gz	WKPBXKXZVPVVEF-UHFFFAOYSA-N	-1	0	498.935	5.584	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(=O)C(C)C	ZINC000225876536	570026196	/nfs/dbraw/zinc/02/61/96/570026196.db2.gz	JFRMASHADXLQEQ-UHFFFAOYSA-N	-1	0	456.589	5.596	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(Br)c1	ZINC000408721397	570026847	/nfs/dbraw/zinc/02/68/47/570026847.db2.gz	GSJIRFHZTWFMDW-UEQSERJNSA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1c1cccc(Cl)c1	ZINC000408726340	570028111	/nfs/dbraw/zinc/02/81/11/570028111.db2.gz	LPDAJFCPOJGKNR-MLPAPPSSSA-N	-1	0	489.572	5.812	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1	ZINC000408749177	570033489	/nfs/dbraw/zinc/03/34/89/570033489.db2.gz	FDYCIIZLYDQTNL-UHFFFAOYSA-N	-1	0	454.960	6.193	40	0		JKABRM
Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408749530	570033560	/nfs/dbraw/zinc/03/35/60/570033560.db2.gz	HJSPOAVQVZAKTO-MSOLQXFVSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749371	570033575	/nfs/dbraw/zinc/03/35/75/570033575.db2.gz	GHJIDOXPUCTETH-UHFFFAOYSA-N	-1	0	491.594	5.594	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1C	ZINC000408749402	570033582	/nfs/dbraw/zinc/03/35/82/570033582.db2.gz	GOYTXEZIULPSID-MOPGFXCFSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1cc(C)c(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749385	570033584	/nfs/dbraw/zinc/03/35/84/570033584.db2.gz	GLSUMPOARUKEFR-RTBURBONSA-N	-1	0	468.644	6.343	40	0		JKABRM
Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408749533	570033689	/nfs/dbraw/zinc/03/36/89/570033689.db2.gz	HJSPOAVQVZAKTO-QZTJIDSGSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c1	ZINC000408750437	570033958	/nfs/dbraw/zinc/03/39/58/570033958.db2.gz	MZIXSJDLKIHBCJ-UHFFFAOYSA-N	-1	0	491.594	5.594	40	0		JKABRM
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c1	ZINC000408750480	570033962	/nfs/dbraw/zinc/03/39/62/570033962.db2.gz	NQVDBQDZCMBQSR-UHFFFAOYSA-N	-1	0	477.567	5.286	40	0		JKABRM
Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408750567	570034027	/nfs/dbraw/zinc/03/40/27/570034027.db2.gz	OVKKHYUYBZNLQQ-MOPGFXCFSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750628	570034037	/nfs/dbraw/zinc/03/40/37/570034037.db2.gz	PMWIATXDTLNXHU-ZWKOTPCHSA-N	-1	0	468.600	5.409	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)cc1C	ZINC000408750730	570034102	/nfs/dbraw/zinc/03/41/02/570034102.db2.gz	RAAOLQSUMAYQHB-UHFFFAOYSA-N	-1	0	491.594	5.594	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1	ZINC000408750794	570034119	/nfs/dbraw/zinc/03/41/19/570034119.db2.gz	RVDDUVPNQHWYTJ-IAGOWNOFSA-N	-1	0	454.573	5.101	40	0		JKABRM
COc1ccc(OC)c(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c1	ZINC000408750726	570034121	/nfs/dbraw/zinc/03/41/21/570034121.db2.gz	QYDXVWWXZXZOIR-UHFFFAOYSA-N	-1	0	480.567	5.556	40	0		JKABRM
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408751024	570034223	/nfs/dbraw/zinc/03/42/23/570034223.db2.gz	VMSBYLGZMOPGIM-ROUUACIJSA-N	-1	0	483.615	5.165	40	0		JKABRM
COc1ccc(OC)c(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408751142	570034284	/nfs/dbraw/zinc/03/42/84/570034284.db2.gz	WYYMNGAUEMUUNK-MSOLQXFVSA-N	-1	0	486.615	5.435	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000408751193	570034395	/nfs/dbraw/zinc/03/43/95/570034395.db2.gz	XNXFAYWNXQSGCF-SFTDATJTSA-N	-1	0	476.623	6.571	40	0		JKABRM
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408803094	570046453	/nfs/dbraw/zinc/04/64/53/570046453.db2.gz	LEUFGAZJWQZXCU-MLDXBRNASA-N	-1	0	451.568	5.204	40	0		JKABRM
O=C1[N-]C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)N1	ZINC000408817815	570051040	/nfs/dbraw/zinc/05/10/40/570051040.db2.gz	MDLSHLZEUGUROL-PXLXIMEGSA-N	-1	0	484.353	5.754	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C	ZINC000245190597	570054634	/nfs/dbraw/zinc/05/46/34/570054634.db2.gz	WCGUUGGRBIKTOS-LPIBTHSCSA-N	-1	0	456.711	7.090	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C	ZINC000245190596	570054694	/nfs/dbraw/zinc/05/46/94/570054694.db2.gz	WCGUUGGRBIKTOS-JWGYZLEYSA-N	-1	0	456.711	7.090	40	0		JKABRM
CC1(C)O[C@](C)([C@@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000245241227	570058449	/nfs/dbraw/zinc/05/84/49/570058449.db2.gz	ZEUOHNFKJGAXCN-YDHSSHFGSA-N	-1	0	467.400	5.603	40	0		JKABRM
O=C([O-])Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000408892035	570065865	/nfs/dbraw/zinc/06/58/65/570065865.db2.gz	XOERLUJFWBLRRR-UHFFFAOYSA-N	-1	0	471.365	7.280	40	0		JKABRM
CCOc1ccc(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])cc1	ZINC000408892476	570066080	/nfs/dbraw/zinc/06/60/80/570066080.db2.gz	ZUJWEYNULQFRSG-UHFFFAOYSA-N	-1	0	480.327	5.184	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1	ZINC000408920604	570076964	/nfs/dbraw/zinc/07/69/64/570076964.db2.gz	JZXJAMHJYXLFRB-UHFFFAOYSA-N	-1	0	491.034	5.330	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1	ZINC000408921663	570077334	/nfs/dbraw/zinc/07/73/34/570077334.db2.gz	BYKGSIVTWKRKCZ-GOSISDBHSA-N	-1	0	470.616	5.065	40	0		JKABRM
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(C(=O)[O-])[C@@H](O)CC[C@@]43C)[C@H]2C1	ZINC000248328631	570077571	/nfs/dbraw/zinc/07/75/71/570077571.db2.gz	BZXULBWGROURAF-IHEJBZAOSA-N	-1	0	456.711	7.234	40	0		JKABRM
Cc1ccc2c(Cl)c(C(=O)Nn3c(CCC(=O)[O-])ccc3-c3ccc(Cl)cc3)sc2c1	ZINC000408964107	570086827	/nfs/dbraw/zinc/08/68/27/570086827.db2.gz	OIYBDSJZRPVNGL-UHFFFAOYSA-N	-1	0	473.381	6.386	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408967214	570087850	/nfs/dbraw/zinc/08/78/50/570087850.db2.gz	QWRYSNJMSLSJDW-OYKKKHCWSA-N	-1	0	489.549	5.517	40	0		JKABRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	ZINC000408968927	570088396	/nfs/dbraw/zinc/08/83/96/570088396.db2.gz	CXQJOGLADMFRDW-UHFFFAOYSA-N	-1	0	473.381	6.386	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000408972270	570089047	/nfs/dbraw/zinc/08/90/47/570089047.db2.gz	QNENRNWITZNGRB-UHFFFAOYSA-N	-1	0	493.799	6.731	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccc(N2Cc3ccccc3C2)cc1	ZINC000408974042	570089343	/nfs/dbraw/zinc/08/93/43/570089343.db2.gz	WJDAKIWTRAUUQQ-UHFFFAOYSA-N	-1	0	469.516	5.216	40	0		JKABRM
O=c1[nH]c(-c2cc(Br)c([O-])c(Br)c2)nc2sc3c(c21)CCCCCC3	ZINC000408985303	570092113	/nfs/dbraw/zinc/09/21/13/570092113.db2.gz	ANWJKLZJKVNUJU-UHFFFAOYSA-N	-1	0	484.213	5.954	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	ZINC000408994593	570095104	/nfs/dbraw/zinc/09/51/04/570095104.db2.gz	GSBXBJIZSVDZMP-PDIWNELESA-N	-1	0	464.315	5.347	40	0		JKABRM
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]21	ZINC000408994436	570095172	/nfs/dbraw/zinc/09/51/72/570095172.db2.gz	HPFCNJAZHCAFKD-OIBXWCBGSA-N	-1	0	450.332	5.627	40	0		JKABRM
CO[C@H]1CC[C@H](N(C(=O)[C@H]2CC[C@H](C)CC2)c2cc(C3=CCCCC3)sc2C(=O)[O-])CC1	ZINC000253387909	570095413	/nfs/dbraw/zinc/09/54/13/570095413.db2.gz	LNYKGELUODVSNS-YSXIEMCBSA-N	-1	0	459.652	6.521	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccccc3Cl)cc1)[C@@H]1Cc3ccccc3[C@H]21	ZINC000409000922	570096322	/nfs/dbraw/zinc/09/63/22/570096322.db2.gz	NYONPUUOAQJZKU-BIYCFNCWSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@H]1Cc3ccccc3[C@H]21	ZINC000409000482	570096333	/nfs/dbraw/zinc/09/63/33/570096333.db2.gz	YVUFYWXZVYYNMM-VJGNERBWSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccccc3Cl)cc1)[C@H]1Cc3ccccc3[C@H]21	ZINC000409000927	570096354	/nfs/dbraw/zinc/09/63/54/570096354.db2.gz	NYONPUUOAQJZKU-KJYTXNCISA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1	ZINC000409006699	570098274	/nfs/dbraw/zinc/09/82/74/570098274.db2.gz	KQKUSGLYLXJMQZ-KQWNVCNZSA-N	-1	0	459.523	5.243	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C	ZINC000253498598	570100649	/nfs/dbraw/zinc/10/06/49/570100649.db2.gz	VUCXSJQWKDYYHQ-DKEJFSPESA-N	-1	0	494.672	6.551	40	0		JKABRM
C[C@@H](C(=O)OCCCCCC(=O)OCCCCCC(=O)[O-])c1ccc(C(=O)c2ccccc2)s1	ZINC000253605733	570104281	/nfs/dbraw/zinc/10/42/81/570104281.db2.gz	BFLSQJHRKHJBLT-LJQANCHMSA-N	-1	0	488.602	5.374	40	0		JKABRM
CCCc1ccc(OCC(=O)[O-])c([C@H]2C[C@@](C)(NC(C)=O)C[C@@H](c3cccc(Cl)c3)O2)c1	ZINC000257201568	570108204	/nfs/dbraw/zinc/10/82/04/570108204.db2.gz	AIEOVUCHVNLSBH-ARNLJNQMSA-N	-1	0	459.970	5.244	40	0		JKABRM
CC(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3)n2)c1	ZINC000257203488	570108989	/nfs/dbraw/zinc/10/89/89/570108989.db2.gz	AQHOMWBMHXBGIX-UHFFFAOYSA-N	-1	0	464.924	6.586	40	0		JKABRM
Cc1nc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(C(F)(F)F)c3)ccc2n1-c1ccccc1	ZINC000257204135	570109185	/nfs/dbraw/zinc/10/91/85/570109185.db2.gz	ATDSHIOEYZAPPA-UHFFFAOYSA-N	-1	0	467.447	5.080	40	0		JKABRM
COc1cccc(-c2cc(-c3ccc(C)cc3OCC(=O)[O-])nn2-c2cccc(Cl)c2)c1OC	ZINC000257205512	570109407	/nfs/dbraw/zinc/10/94/07/570109407.db2.gz	AZKYOECLFUGOPV-UHFFFAOYSA-N	-1	0	478.932	5.649	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257207434	570110147	/nfs/dbraw/zinc/11/01/47/570110147.db2.gz	BHSKXOUBCNSIAN-TUNNFDKTSA-N	-1	0	496.785	5.054	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3cccc(Cl)c3)ccc2O1	ZINC000257210218	570111084	/nfs/dbraw/zinc/11/10/84/570111084.db2.gz	BTRKNZMXLIMBTF-MUUNZHRXSA-N	-1	0	477.988	5.436	40	0		JKABRM
O=C([O-])COc1cc(F)ccc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257210911	570111289	/nfs/dbraw/zinc/11/12/89/570111289.db2.gz	BWQFRLAFQLCXDL-UHFFFAOYSA-N	-1	0	450.897	5.716	40	0		JKABRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)c1	ZINC000257210670	570111297	/nfs/dbraw/zinc/11/12/97/570111297.db2.gz	BVQQEVQUQGPPTJ-UHFFFAOYSA-N	-1	0	461.558	5.299	40	0		JKABRM
O=C([O-])c1cccc(Cl)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1Cl	ZINC000257215326	570112642	/nfs/dbraw/zinc/11/26/42/570112642.db2.gz	CPPPDNZAFLEMEC-UHFFFAOYSA-N	-1	0	497.378	5.823	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CC(=O)[O-])Cc4cccc(F)c4)ccc3O2)cc1	ZINC000257217796	570113442	/nfs/dbraw/zinc/11/34/42/570113442.db2.gz	DAQKQGHEJOWFNE-PMERELPUSA-N	-1	0	489.587	5.541	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CC(=O)[O-])Cc4cccc(F)c4)ccc3O2)cc1	ZINC000257217797	570113495	/nfs/dbraw/zinc/11/34/95/570113495.db2.gz	DAQKQGHEJOWFNE-SSEXGKCCSA-N	-1	0	489.587	5.541	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)N(CCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257219076	570113926	/nfs/dbraw/zinc/11/39/26/570113926.db2.gz	DFMZGPOEKTXKLL-JGCGQSQUSA-N	-1	0	499.651	5.835	40	0		JKABRM
COc1ccc(-c2nc(N3CCc4ccccc4[C@H]3c3cccc(OC)c3)ncc2C(=O)[O-])cc1	ZINC000257221759	570114633	/nfs/dbraw/zinc/11/46/33/570114633.db2.gz	DQKJPSOCMUAZTG-AREMUKBSSA-N	-1	0	467.525	5.011	40	0		JKABRM
CC(C)Oc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@@](C)(Cc2ccc(F)cc2)O3)cc1	ZINC000257225946	570115893	/nfs/dbraw/zinc/11/58/93/570115893.db2.gz	FINAAJXNFJABNV-GDLZYMKVSA-N	-1	0	491.559	5.276	40	0		JKABRM
COc1ccc([C@@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C(C)C)ccc3C)n2)c(OC)c1	ZINC000257231027	570117246	/nfs/dbraw/zinc/11/72/46/570117246.db2.gz	GEXHUZIGCPQXPE-DEOSSOPVSA-N	-1	0	491.588	5.544	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCc3ccccc3F)CC(=O)[O-])ccc2O1	ZINC000257231779	570117505	/nfs/dbraw/zinc/11/75/05/570117505.db2.gz	GIEVYXKNVLZWNH-HHHXNRCGSA-N	-1	0	499.941	5.324	40	0		JKABRM
CCCOc1cccc(-c2cc(-c3cc(C(=O)[O-])ccc3OCC(C)C)nn2CCc2ccccc2)c1	ZINC000257232380	570117695	/nfs/dbraw/zinc/11/76/95/570117695.db2.gz	GKQOWTLFWMNQII-UHFFFAOYSA-N	-1	0	498.623	6.982	40	0		JKABRM
O=C([O-])COc1cc(F)c(F)cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1	ZINC000257234057	570118339	/nfs/dbraw/zinc/11/83/39/570118339.db2.gz	GRXGTFISKMYEEX-UHFFFAOYSA-N	-1	0	454.860	5.660	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(F)c(F)cc3OCC(=O)[O-])nn2CCc2ccccc2)c1OC	ZINC000257237547	570119402	/nfs/dbraw/zinc/11/94/02/570119402.db2.gz	HHAHDNRUKOQKIC-UHFFFAOYSA-N	-1	0	494.494	5.219	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2c(C)cc(C(C)C)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257239363	570120085	/nfs/dbraw/zinc/12/00/85/570120085.db2.gz	HOYVIOMRORHUCR-UHFFFAOYSA-N	-1	0	498.623	6.754	40	0		JKABRM
O=C([O-])CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257239374	570120089	/nfs/dbraw/zinc/12/00/89/570120089.db2.gz	HOZJHYGRIWVOCU-UHFFFAOYSA-N	-1	0	488.415	5.894	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1COc1ccccc1Cl	ZINC000257240547	570120322	/nfs/dbraw/zinc/12/03/22/570120322.db2.gz	HUASAVVSAJDSDU-JOCHJYFZSA-N	-1	0	485.367	5.572	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1COc1ccccc1Cl	ZINC000257240548	570120380	/nfs/dbraw/zinc/12/03/80/570120380.db2.gz	HUASAVVSAJDSDU-QFIPXVFZSA-N	-1	0	485.367	5.572	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3)ccc2O1	ZINC000257244176	570121270	/nfs/dbraw/zinc/12/12/70/570121270.db2.gz	IKFBQVFCKPZSSK-SANMLTNESA-N	-1	0	467.924	5.142	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3)ccc2O1	ZINC000257244175	570121361	/nfs/dbraw/zinc/12/13/61/570121361.db2.gz	IKFBQVFCKPZSSK-AREMUKBSSA-N	-1	0	467.924	5.142	40	0		JKABRM
O=C([O-])c1sc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257244926	570121538	/nfs/dbraw/zinc/12/15/38/570121538.db2.gz	INJFYRVENAYKRT-HXUWFJFHSA-N	-1	0	488.968	5.162	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(Cl)c(C)cc3OCC(=O)[O-])nn2CC(C)C)c1OC	ZINC000257247477	570122387	/nfs/dbraw/zinc/12/23/87/570122387.db2.gz	IZEWPYUIZINWSI-UHFFFAOYSA-N	-1	0	458.942	5.316	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2S(=O)(=O)CCCc2ccccc2)nc1CCCc1ccccc1	ZINC000257248660	570122760	/nfs/dbraw/zinc/12/27/60/570122760.db2.gz	JERGQHWHQXMOEI-HHHXNRCGSA-N	-1	0	492.641	5.055	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCC(=O)[O-])Cc3ccc(Cl)cc3)ccc2O1	ZINC000257248491	570122761	/nfs/dbraw/zinc/12/27/61/570122761.db2.gz	JDWOSDLYWVKZFJ-LJAQVGFWSA-N	-1	0	492.015	5.712	40	0		JKABRM
COc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])[C@@H](C)c2ccccc2)c(OC)c1	ZINC000257251832	570123694	/nfs/dbraw/zinc/12/36/94/570123694.db2.gz	JSLMDFJYLBLYFU-FQEVSTJZSA-N	-1	0	491.584	5.694	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2cccc(Br)c2)nc1CCc1ccc(F)cc1	ZINC000257251917	570123714	/nfs/dbraw/zinc/12/37/14/570123714.db2.gz	JSVUXZWOYZPIJZ-OAQYLSRUSA-N	-1	0	470.342	5.203	40	0		JKABRM
O=C([O-])c1sc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1	ZINC000257254026	570124314	/nfs/dbraw/zinc/12/43/14/570124314.db2.gz	KBGXHILEHFYAJG-IBGZPJMESA-N	-1	0	491.396	5.481	40	0		JKABRM
O=C([O-])CN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1Oc1ccccc1	ZINC000257254438	570124533	/nfs/dbraw/zinc/12/45/33/570124533.db2.gz	KDBWQSINXIWHCL-UHFFFAOYSA-N	-1	0	460.313	5.278	40	0		JKABRM
O=C([O-])CCN(CCc1cccc(Cl)c1)C(=O)CCCn1c2ccccc2nc1C(F)(F)F	ZINC000257257698	570125539	/nfs/dbraw/zinc/12/55/39/570125539.db2.gz	KQTPSLNCOAYFGC-UHFFFAOYSA-N	-1	0	481.902	5.035	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(C[C@@H](O)CC)n1	ZINC000257258987	570126036	/nfs/dbraw/zinc/12/60/36/570126036.db2.gz	KWJJXVGWBOMSNS-FQEVSTJZSA-N	-1	0	466.578	5.193	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2ccc(C(C)(C)C)cc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257260972	570126588	/nfs/dbraw/zinc/12/65/88/570126588.db2.gz	LFHKLUDEBDYCHK-ZEVJAHDQSA-N	-1	0	473.997	5.589	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CC(=O)[O-])Cc4ccc(F)cc4)ccc3O2)cc1	ZINC000257261792	570126840	/nfs/dbraw/zinc/12/68/40/570126840.db2.gz	LIVVLFYZMJJJIH-PMERELPUSA-N	-1	0	489.587	5.541	40	0		JKABRM
C[C@]1(Cc2ccccc2)CCc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc2O1	ZINC000257262205	570127036	/nfs/dbraw/zinc/12/70/36/570127036.db2.gz	LKOVEAIDIRWDBN-XMMPIXPASA-N	-1	0	489.515	5.151	40	0		JKABRM
Cc1cc(OCc2nc(N3CCC[C@H]3c3cccc(F)c3)ncc2C(=O)[O-])cc(C)c1Cl	ZINC000257263384	570127440	/nfs/dbraw/zinc/12/74/40/570127440.db2.gz	LPQUBHFWBWPFKO-NRFANRHFSA-N	-1	0	455.917	5.505	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccccc3)ccc2O1	ZINC000257264761	570127750	/nfs/dbraw/zinc/12/77/50/570127750.db2.gz	LVXRZAMZGLVMPC-HHHXNRCGSA-N	-1	0	481.951	5.071	40	0		JKABRM
COc1ccccc1[C@@H]1CCCN1c1ncc(C(=O)[O-])c(CCCc2cn(C)c3ccccc23)n1	ZINC000257264567	570127795	/nfs/dbraw/zinc/12/77/95/570127795.db2.gz	LVAPQRTVDOLBRW-VWLOTQADSA-N	-1	0	470.573	5.192	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)c(F)c1)O2	ZINC000257264756	570127808	/nfs/dbraw/zinc/12/78/08/570127808.db2.gz	LVXGYAWKQKKVME-NDEPHWFRSA-N	-1	0	495.978	5.493	40	0		JKABRM
O=C([O-])COc1cc(F)c(F)cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257267474	570128733	/nfs/dbraw/zinc/12/87/33/570128733.db2.gz	MHLPDGNAQKDASP-UHFFFAOYSA-N	-1	0	452.432	5.341	40	0		JKABRM
COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409103502	570129226	/nfs/dbraw/zinc/12/92/26/570129226.db2.gz	WUOYAUGIPOXDCK-MTJSOVHGSA-N	-1	0	467.930	5.711	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1	ZINC000409103691	570129345	/nfs/dbraw/zinc/12/93/45/570129345.db2.gz	BFIGKVRGYBPNLP-RGVLZGJSSA-N	-1	0	483.307	5.368	40	0		JKABRM
Cc1cc(OCCCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc(C)c1Cl	ZINC000257270165	570129678	/nfs/dbraw/zinc/12/96/78/570129678.db2.gz	MTANEONEJMPOJF-UHFFFAOYSA-N	-1	0	455.957	6.991	40	0		JKABRM
CC(C)Cn1nc(-c2cc(OCc3ccccc3)ccc2OCC(=O)[O-])cc1-c1ccc(F)cc1	ZINC000257271884	570130143	/nfs/dbraw/zinc/13/01/43/570130143.db2.gz	NAEVYDJTJPKRGW-UHFFFAOYSA-N	-1	0	474.532	6.055	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257273558	570130785	/nfs/dbraw/zinc/13/07/85/570130785.db2.gz	NHCWLOSTSWDUAT-MHZLTWQESA-N	-1	0	481.951	5.185	40	0		JKABRM
Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409111941	570132444	/nfs/dbraw/zinc/13/24/44/570132444.db2.gz	APGKTVGCSVAOMJ-UHFFFAOYSA-N	-1	0	460.755	6.300	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@@](C)(Cc2ccc(C(C)C)cc2)O3)cc1	ZINC000257282714	570133565	/nfs/dbraw/zinc/13/35/65/570133565.db2.gz	OUYDGJYJLOTNTO-SSEXGKCCSA-N	-1	0	471.597	5.782	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(=O)[O-])ccc2OCC(C)C)O[C@H](c2cccc(Cl)c2)C1	ZINC000257287185	570134770	/nfs/dbraw/zinc/13/47/70/570134770.db2.gz	POWFRZBEWGYXHT-ARNLJNQMSA-N	-1	0	459.970	5.561	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(Br)c2)c(OCc2cccc(Cl)c2)c1	ZINC000257287077	570134797	/nfs/dbraw/zinc/13/47/97/570134797.db2.gz	POJRJOKARKNURT-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3ccc(OC(C)C)cc3)c(-c3ccccc3)c2c1	ZINC000257288215	570135134	/nfs/dbraw/zinc/13/51/34/570135134.db2.gz	PTJMZDKXZWDZGV-UHFFFAOYSA-N	-1	0	456.542	5.658	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3Cl)ccc2O1	ZINC000257288643	570135155	/nfs/dbraw/zinc/13/51/55/570135155.db2.gz	PVBFLYHTZKHVIQ-AREMUKBSSA-N	-1	0	467.924	5.142	40	0		JKABRM
CCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCc1ccc(C(=O)[O-])cc1	ZINC000409120321	570135577	/nfs/dbraw/zinc/13/55/77/570135577.db2.gz	WHWLWCKLRUCUJI-ODLFYWEKSA-N	-1	0	494.341	5.618	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)CCc2ccc3c(c2)C[C@](C)(Cc2ccc(C(C)C)cc2)O3)cc1	ZINC000257290211	570135587	/nfs/dbraw/zinc/13/55/87/570135587.db2.gz	QCASVOHMWKVZDR-YTTGMZPUSA-N	-1	0	499.651	6.101	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C)c(OCc2ccc(Cl)cc2)c1	ZINC000257291599	570135989	/nfs/dbraw/zinc/13/59/89/570135989.db2.gz	QHTWSPDVBMGOMV-UHFFFAOYSA-N	-1	0	464.370	5.308	40	0		JKABRM
C[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1c(Cl)cccc1C(=O)[O-]	ZINC000257292847	570136448	/nfs/dbraw/zinc/13/64/48/570136448.db2.gz	QNELRZUQHJCXJB-MRXNPFEDSA-N	-1	0	458.341	5.860	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257293635	570136560	/nfs/dbraw/zinc/13/65/60/570136560.db2.gz	QQLYPVJAVASNIA-LJAQVGFWSA-N	-1	0	492.015	5.365	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc2O1	ZINC000257294152	570136684	/nfs/dbraw/zinc/13/66/84/570136684.db2.gz	QSTUJYNPQSMBEY-NDEPHWFRSA-N	-1	0	495.978	5.461	40	0		JKABRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccc(F)c1Oc1ccc(Cl)cc1	ZINC000257295284	570137001	/nfs/dbraw/zinc/13/70/01/570137001.db2.gz	QXRNMNHBXIGLHO-UHFFFAOYSA-N	-1	0	473.831	5.409	40	0		JKABRM
COc1cccc(CN(CCc2c[nH]c3ccccc23)C(=O)COc2c(Cl)cccc2C(=O)[O-])c1	ZINC000257296510	570137317	/nfs/dbraw/zinc/13/73/17/570137317.db2.gz	RDEAMTAZAIPKOC-UHFFFAOYSA-N	-1	0	492.959	5.178	40	0		JKABRM
O=C([O-])Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21	ZINC000409125167	570137560	/nfs/dbraw/zinc/13/75/60/570137560.db2.gz	CKJJYTCUEZNIPD-WSVATBPTSA-N	-1	0	461.326	5.269	40	0		JKABRM
CCCCn1nc(-c2cc(CC(=O)[O-])ccc2OCCC)cc1-c1cccc(OC)c1OC	ZINC000257297070	570137599	/nfs/dbraw/zinc/13/75/99/570137599.db2.gz	RFQYGPFFWSDZQY-UHFFFAOYSA-N	-1	0	452.551	5.450	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257299680	570138397	/nfs/dbraw/zinc/13/83/97/570138397.db2.gz	RRBGCCMAJICWOM-YTTGMZPUSA-N	-1	0	499.651	5.835	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CCc3cccc(F)c3)CC(=O)[O-])ccc2O1	ZINC000257300464	570138583	/nfs/dbraw/zinc/13/85/83/570138583.db2.gz	RUJQOERHCGDVDA-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)cc(Cl)c2[O-])C(=O)N1CCCc1ccccc1	ZINC000409127701	570138824	/nfs/dbraw/zinc/13/88/24/570138824.db2.gz	QYXFWPOIFFXSIY-YBEGLDIGSA-N	-1	0	452.757	5.477	40	0		JKABRM
CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]3C[C@H]1C(C)(C)O2	ZINC000257302844	570139262	/nfs/dbraw/zinc/13/92/62/570139262.db2.gz	SERQSHJVHAZKQS-NMNFXAFOSA-N	-1	0	457.611	5.093	40	0		JKABRM
Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)[O-])c(COc2ccc3c(c2)CCCC3)n1	ZINC000257303860	570139501	/nfs/dbraw/zinc/13/95/01/570139501.db2.gz	SJBBZYJUSVQNHH-UHFFFAOYSA-N	-1	0	475.589	5.555	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257304126	570139593	/nfs/dbraw/zinc/13/95/93/570139593.db2.gz	SKEMDSRUJOVZOE-UHFFFAOYSA-N	-1	0	472.560	6.494	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409129874	570139667	/nfs/dbraw/zinc/13/96/67/570139667.db2.gz	HMRZVEKQIAGYBG-OEAKJJBVSA-N	-1	0	481.570	5.589	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000409131156	570140125	/nfs/dbraw/zinc/14/01/25/570140125.db2.gz	NKLCBLNUCFRLLW-RQZCQDPDSA-N	-1	0	482.341	5.092	40	0		JKABRM
Cc1cc(OCCCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)[O-])cc(C)c1Cl	ZINC000257306137	570140118	/nfs/dbraw/zinc/14/01/18/570140118.db2.gz	STBSBWNNRJJMRJ-UHFFFAOYSA-N	-1	0	469.984	7.066	40	0		JKABRM
Cc1cc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)cc1Cl	ZINC000257307072	570140444	/nfs/dbraw/zinc/14/04/44/570140444.db2.gz	SXCDUMZGBHIBGT-UHFFFAOYSA-N	-1	0	487.770	6.938	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)cc2)c1	ZINC000409132254	570140651	/nfs/dbraw/zinc/14/06/51/570140651.db2.gz	NPLHZHOJSDGOMA-JJIBRWJFSA-N	-1	0	473.550	5.633	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc2ccccc2c1	ZINC000409132905	570140825	/nfs/dbraw/zinc/14/08/25/570140825.db2.gz	KWOBKFISLUDIAC-CIAFOILYSA-N	-1	0	497.956	5.592	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O	ZINC000409134793	570141778	/nfs/dbraw/zinc/14/17/78/570141778.db2.gz	QDAIZYBMTXCMDS-CNHKJKLMSA-N	-1	0	461.326	5.117	40	0		JKABRM
CCCOc1cccc(-c2cc(-c3ccc(C(=O)[O-])cc3OCCC)nn2CCc2ccccc2)c1	ZINC000257311441	570141854	/nfs/dbraw/zinc/14/18/54/570141854.db2.gz	UJLVLUDJKHKSDD-UHFFFAOYSA-N	-1	0	484.596	6.736	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2)cc1	ZINC000409135023	570141963	/nfs/dbraw/zinc/14/19/63/570141963.db2.gz	PKBGHAYNMBSNSH-HYARGMPZSA-N	-1	0	451.544	5.580	40	0		JKABRM
Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3c(F)cccc3Cl)c(-c3ccccc3)c2c1	ZINC000257313455	570142550	/nfs/dbraw/zinc/14/25/50/570142550.db2.gz	USNCPIYCWGBVIN-UHFFFAOYSA-N	-1	0	450.897	5.663	40	0		JKABRM
CC1(C)Oc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(F)cc3)cc2[C@@H]2O[C@H](c3ccccc3)CC[C@H]21	ZINC000257313525	570142611	/nfs/dbraw/zinc/14/26/11/570142611.db2.gz	USZQFSPYPCAVMZ-CUYJMHBOSA-N	-1	0	495.572	5.324	40	0		JKABRM
COc1ccc(CN(C(=O)COc2c(Cl)cccc2C(=O)[O-])[C@H](C)c2ccccc2)cc1OC	ZINC000257314534	570142817	/nfs/dbraw/zinc/14/28/17/570142817.db2.gz	UXKLKNXFHYDRBJ-QGZVFWFLSA-N	-1	0	483.948	5.224	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CC(=O)[O-])Cc4ccccc4Cl)ccc3O2)cc1	ZINC000257314259	570142857	/nfs/dbraw/zinc/14/28/57/570142857.db2.gz	UWBKMWSNKAMSTK-LJAQVGFWSA-N	-1	0	492.015	6.127	40	0		JKABRM
CC(C)c1ccc(OCCNc2ncc(C(=O)[O-])c(COc3ccc4c(c3)CCCC4)n2)cc1	ZINC000257314762	570142929	/nfs/dbraw/zinc/14/29/29/570142929.db2.gz	UYIPCIUCFWEHOK-UHFFFAOYSA-N	-1	0	461.562	5.247	40	0		JKABRM
CC(C)COc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1	ZINC000257315223	570143089	/nfs/dbraw/zinc/14/30/89/570143089.db2.gz	VAKWNQQOJHAVOE-UHFFFAOYSA-N	-1	0	460.961	6.652	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2	ZINC000257316022	570143325	/nfs/dbraw/zinc/14/33/25/570143325.db2.gz	VDUDNENLPCZQTH-HKBQPEDESA-N	-1	0	485.624	5.824	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2	ZINC000257316023	570143412	/nfs/dbraw/zinc/14/34/12/570143412.db2.gz	VDUDNENLPCZQTH-WJOKGBTCSA-N	-1	0	485.624	5.824	40	0		JKABRM
CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)c4ccccc4-c4ccccc4C(=O)[O-])C[C@@H]3C[C@@H]21	ZINC000257316871	570143606	/nfs/dbraw/zinc/14/36/06/570143606.db2.gz	VHJCPNFILXEVTP-YORPTFRRSA-N	-1	0	497.591	5.831	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OCCC)c2)n(CCc2ccccc2)n1	ZINC000257320586	570144690	/nfs/dbraw/zinc/14/46/90/570144690.db2.gz	VXLPMNNASAADBQ-UHFFFAOYSA-N	-1	0	498.623	7.126	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(OCc2ccc(Cl)cc2)c1	ZINC000257321924	570145113	/nfs/dbraw/zinc/14/51/13/570145113.db2.gz	WDWDYTBGISVENJ-UHFFFAOYSA-N	-1	0	483.895	5.365	40	0		JKABRM
Cc1cc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)cc1Cl	ZINC000257322761	570145304	/nfs/dbraw/zinc/14/53/04/570145304.db2.gz	WHHVWHHORUPNPW-UHFFFAOYSA-N	-1	0	467.352	6.344	40	0		JKABRM
O=C([O-])c1cnc(N2CCCCC[C@H]2c2ccccc2Br)nc1CCc1cccc(F)c1	ZINC000257322964	570145422	/nfs/dbraw/zinc/14/54/22/570145422.db2.gz	WIGPZOWHIBHCNT-QHCPKHFHSA-N	-1	0	498.396	5.983	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@](C)(Cc2ccc(C(C)C)cc2)O3)cc1	ZINC000257324914	570145916	/nfs/dbraw/zinc/14/59/16/570145916.db2.gz	WQTAUMSMDUDJLR-HKBQPEDESA-N	-1	0	485.624	5.711	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(C)(C)C)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257326108	570146323	/nfs/dbraw/zinc/14/63/23/570146323.db2.gz	WVVZTFMKDQFSMI-PPJWLVRDSA-N	-1	0	473.997	5.589	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3ccccc3)ccc2O1	ZINC000257327162	570146638	/nfs/dbraw/zinc/14/66/38/570146638.db2.gz	XAGKHZWJCGOFNV-MUUNZHRXSA-N	-1	0	477.988	5.436	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257329911	570147500	/nfs/dbraw/zinc/14/75/00/570147500.db2.gz	XLZJDMQNLFLEPJ-UHFFFAOYSA-N	-1	0	472.560	6.405	40	0		JKABRM
COc1ccc(OC)c([C@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)c1	ZINC000257330800	570147849	/nfs/dbraw/zinc/14/78/49/570147849.db2.gz	XQDBDJKBKUYZEH-JOCHJYFZSA-N	-1	0	497.979	5.383	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CC)n1	ZINC000257333540	570148559	/nfs/dbraw/zinc/14/85/59/570148559.db2.gz	YBZBSMGJDRWTCV-FQEVSTJZSA-N	-1	0	456.970	5.447	40	0		JKABRM
CN(CCCc1nc(N2CCCC[C@H]2CCc2ccccc2)ncc1C(=O)[O-])c1ccccc1	ZINC000257337716	570149715	/nfs/dbraw/zinc/14/97/15/570149715.db2.gz	YUBXFARCWRNAOF-DEOSSOPVSA-N	-1	0	458.606	5.236	40	0		JKABRM
COc1ccc(-c2cc(-c3cccc(OC)c3OC)n(-c3cccc(Cl)c3)n2)c(OCC(=O)[O-])c1	ZINC000257338115	570149808	/nfs/dbraw/zinc/14/98/08/570149808.db2.gz	YVXUJLZUIHLLRZ-UHFFFAOYSA-N	-1	0	494.931	5.349	40	0		JKABRM
C[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000257339597	570150293	/nfs/dbraw/zinc/15/02/93/570150293.db2.gz	ZCKRGCHLVWJCAE-MRXNPFEDSA-N	-1	0	458.341	5.860	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2cccc(Cl)c2)O1	ZINC000257342931	570151246	/nfs/dbraw/zinc/15/12/46/570151246.db2.gz	ZQRGINATXUCDJN-ARNLJNQMSA-N	-1	0	459.970	5.244	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc2c1O[C@](C)(Cc1ccc(Cl)c(F)c1)C2	ZINC000257343523	570151386	/nfs/dbraw/zinc/15/13/86/570151386.db2.gz	ZTIVWPNXAAGLJN-HHHXNRCGSA-N	-1	0	497.950	5.151	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000257394917	570154018	/nfs/dbraw/zinc/15/40/18/570154018.db2.gz	CGPBVNAIDFBRJG-KWUMBTEXSA-N	-1	0	456.711	7.400	40	0	endogenous,in-man	JKABRM
O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1cccc(Br)c1	ZINC000409169949	570154635	/nfs/dbraw/zinc/15/46/35/570154635.db2.gz	RWRXUQSRRMDVGW-AUWJEWJLSA-N	-1	0	459.148	5.698	40	0		JKABRM
CN([C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	ZINC000260679665	570154709	/nfs/dbraw/zinc/15/47/09/570154709.db2.gz	VHTRHQXKNAWSJR-HXUWFJFHSA-N	-1	0	480.369	5.102	40	0		JKABRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1O	ZINC000409178538	570158059	/nfs/dbraw/zinc/15/80/59/570158059.db2.gz	KVWYEGPFELHESU-IUXPMGMMSA-N	-1	0	481.357	5.081	40	0		JKABRM
Cc1nnc(SC(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])[nH]1	ZINC000409188025	570160965	/nfs/dbraw/zinc/16/09/65/570160965.db2.gz	FFDJRDZKAORSKA-VGOFMYFVSA-N	-1	0	485.157	5.116	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409190193	570161781	/nfs/dbraw/zinc/16/17/81/570161781.db2.gz	MKBZXNIDDXGRNU-LPYMAVHISA-N	-1	0	495.940	5.867	40	0		JKABRM
Cc1nnc(SC(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])[nH]1	ZINC000409195856	570163481	/nfs/dbraw/zinc/16/34/81/570163481.db2.gz	WKFHVYKFFFGRHK-UWVJOHFNSA-N	-1	0	459.358	5.641	40	0		JKABRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1Cl	ZINC000409209951	570169149	/nfs/dbraw/zinc/16/91/49/570169149.db2.gz	IRPQLHUIMSECJZ-JAIQZWGSSA-N	-1	0	496.928	5.282	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409212938	570170800	/nfs/dbraw/zinc/17/08/00/570170800.db2.gz	SJZPVGRWCOBWBO-WSDLNYQXSA-N	-1	0	495.940	5.867	40	0		JKABRM
O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1ccc(F)c(Cl)c1	ZINC000409227358	570176331	/nfs/dbraw/zinc/17/63/31/570176331.db2.gz	XYYZHMNRIVNMIZ-RZNTYIFUSA-N	-1	0	475.712	5.167	40	0		JKABRM
CCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000409236510	570180030	/nfs/dbraw/zinc/18/00/30/570180030.db2.gz	SNPBZMSNAQMJMS-WOJGMQOQSA-N	-1	0	461.923	5.072	40	0		JKABRM
Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc(C(=O)[O-])c4)c(Cl)c3)C2=O)c1	ZINC000409237635	570180558	/nfs/dbraw/zinc/18/05/58/570180558.db2.gz	ASCBZJNKOQCVCP-LPYMAVHISA-N	-1	0	476.916	5.019	40	0		JKABRM
CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000409242996	570182758	/nfs/dbraw/zinc/18/27/58/570182758.db2.gz	UCQNRSOHAKROKE-LICLKQGHSA-N	-1	0	466.342	5.717	40	0		JKABRM
COc1cc(COc2c(Br)cc(C(=O)[O-])cc2OC)ccc1OCc1ccccc1	ZINC000408540390	570191354	/nfs/dbraw/zinc/19/13/54/570191354.db2.gz	REDXNAMHBSFJCN-UHFFFAOYSA-N	-1	0	473.319	5.323	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2Cl)c1	ZINC000408543545	570192085	/nfs/dbraw/zinc/19/20/85/570192085.db2.gz	FDSVOLYEBXWJDK-UHFFFAOYSA-N	-1	0	455.045	5.019	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000408543479	570192106	/nfs/dbraw/zinc/19/21/06/570192106.db2.gz	DSEFWKKOGZYPDE-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1	ZINC000408544051	570192213	/nfs/dbraw/zinc/19/22/13/570192213.db2.gz	GTIXFKCYUPWKPU-UHFFFAOYSA-N	-1	0	456.951	5.213	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)c(C)c1	ZINC000408544695	570192564	/nfs/dbraw/zinc/19/25/64/570192564.db2.gz	IPVDNFDIBAGRBU-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)c1	ZINC000408544693	570192574	/nfs/dbraw/zinc/19/25/74/570192574.db2.gz	IOXJVMXQMWIESY-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c1	ZINC000408544669	570192580	/nfs/dbraw/zinc/19/25/80/570192580.db2.gz	IKAFCAFNXUNWFP-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000408545255	570192805	/nfs/dbraw/zinc/19/28/05/570192805.db2.gz	JTFCWSSIQUEQKB-UHFFFAOYSA-N	-1	0	458.967	5.327	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1	ZINC000408545332	570192842	/nfs/dbraw/zinc/19/28/42/570192842.db2.gz	KJIVSQRVXFKJSC-UHFFFAOYSA-N	-1	0	456.995	5.826	40	0		JKABRM
COc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000408545627	570192961	/nfs/dbraw/zinc/19/29/61/570192961.db2.gz	LTOONZXGKMFNAQ-UHFFFAOYSA-N	-1	0	479.385	5.672	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)c(C)c1	ZINC000408545768	570193131	/nfs/dbraw/zinc/19/31/31/570193131.db2.gz	ABNYRLRIFOOZGF-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1Cl	ZINC000408546183	570193251	/nfs/dbraw/zinc/19/32/51/570193251.db2.gz	CPVORMMNGLBWCH-UHFFFAOYSA-N	-1	0	479.385	5.672	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)cc1	ZINC000408546575	570193327	/nfs/dbraw/zinc/19/33/27/570193327.db2.gz	FKROPCGEZACHEV-UHFFFAOYSA-N	-1	0	483.804	5.686	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCSCc2cccc(Cl)c2)cc1	ZINC000408546574	570193378	/nfs/dbraw/zinc/19/33/78/570193378.db2.gz	UNJUQJZNLSBYCJ-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000408546831	570193554	/nfs/dbraw/zinc/19/35/54/570193554.db2.gz	GRPQUOCEOXPINH-UHFFFAOYSA-N	-1	0	461.008	5.732	40	0		JKABRM
Cc1ccccc1CSCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000408547296	570193658	/nfs/dbraw/zinc/19/36/58/570193658.db2.gz	YNYYPXNFSISMFD-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)c(C)c2)cc1	ZINC000408547340	570193690	/nfs/dbraw/zinc/19/36/90/570193690.db2.gz	IODHVDSKFFPCJR-UHFFFAOYSA-N	-1	0	459.365	5.119	40	0		JKABRM
COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000408547694	570193847	/nfs/dbraw/zinc/19/38/47/570193847.db2.gz	LLMPPYYLIHDHAN-UHFFFAOYSA-N	-1	0	486.977	5.105	40	0		JKABRM
COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000408547746	570193910	/nfs/dbraw/zinc/19/39/10/570193910.db2.gz	MGKBECVYYIPLCQ-UHFFFAOYSA-N	-1	0	458.967	5.327	40	0		JKABRM
Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1Cl	ZINC000408547810	570193917	/nfs/dbraw/zinc/19/39/17/570193917.db2.gz	NFJRCRDXEOFLJU-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)cc1C	ZINC000408548156	570194079	/nfs/dbraw/zinc/19/40/79/570194079.db2.gz	PXWCOYOPSNRPMC-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	ZINC000408548449	570194225	/nfs/dbraw/zinc/19/42/25/570194225.db2.gz	RVFHQSRIOFNXCJ-UHFFFAOYSA-N	-1	0	472.566	5.627	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2Cl)c1	ZINC000408549376	570194605	/nfs/dbraw/zinc/19/46/05/570194605.db2.gz	YNXKINMCRVAHLZ-UHFFFAOYSA-N	-1	0	455.045	5.019	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)c1	ZINC000408549523	570194657	/nfs/dbraw/zinc/19/46/57/570194657.db2.gz	ZKDJKERTVZLIRM-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1NC(=O)c1cccc(Cl)c1	ZINC000408556602	570197569	/nfs/dbraw/zinc/19/75/69/570197569.db2.gz	DRJXTCHHFLOLDS-UHFFFAOYSA-N	-1	0	495.384	5.454	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1ccccc1F	ZINC000408559996	570200160	/nfs/dbraw/zinc/20/01/60/570200160.db2.gz	NYYIHJSISGPBQP-UHFFFAOYSA-N	-1	0	482.455	5.296	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408560878	570200706	/nfs/dbraw/zinc/20/07/06/570200706.db2.gz	QNJFKGXVYATHTE-UHFFFAOYSA-N	-1	0	474.966	5.109	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1ccc(C)cc1	ZINC000408561646	570201164	/nfs/dbraw/zinc/20/11/64/570201164.db2.gz	UOBFHQAXXIMRJZ-UHFFFAOYSA-N	-1	0	464.465	5.076	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408562066	570201499	/nfs/dbraw/zinc/20/14/99/570201499.db2.gz	XOFAOXMOMSLMKM-UHFFFAOYSA-N	-1	0	498.910	5.811	40	0		JKABRM
CC(=O)N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408566151	570203542	/nfs/dbraw/zinc/20/35/42/570203542.db2.gz	NETOVQITYSZAOM-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
CC(=O)N(Cc1ccccc1OCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408566133	570203649	/nfs/dbraw/zinc/20/36/49/570203649.db2.gz	MYJMZURLHRGEMA-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1	ZINC000408586118	570208120	/nfs/dbraw/zinc/20/81/20/570208120.db2.gz	AIUGMHUTTSVGPN-UHFFFAOYSA-N	-1	0	473.982	5.807	40	0		JKABRM
CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000038852739	574414425	/nfs/dbraw/zinc/41/44/25/574414425.db2.gz	FIWGZIBLJWZUEA-YLOOAIDXSA-N	-1	0	498.748	8.115	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000253589435	291536071	/nfs/dbraw/zinc/53/60/71/291536071.db2.gz	FIWGZIBLJWZUEA-RQEAKQQESA-N	-1	0	498.748	8.115	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2[C@@]1(C)O	ZINC000248342576	291547296	/nfs/dbraw/zinc/54/72/96/291547296.db2.gz	YLHQFGOOMKJFLP-HAJLGEAOSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@@H](O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000253390032	291547305	/nfs/dbraw/zinc/54/73/05/291547305.db2.gz	JPGOJQJBPLCRQP-PEUOOYPNSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000008624045	291600416	/nfs/dbraw/zinc/60/04/16/291600416.db2.gz	VERLJHRTWSOIEL-UYAOXDASSA-N	-1	0	489.538	5.461	40	0	biogenic,in-vitro	JKABRM
CC1(C)O[C@](C)(C(O)(c2cccc3ccccc32)c2cccc3ccccc32)CC[C@@H]1C(=O)[O-]	ZINC000003845840	194364314	/nfs/dbraw/zinc/36/43/14/194364314.db2.gz	IQKVYIVECRLDDW-UHSQPCAPSA-N	-1	0	454.566	6.277	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000012868514	195162430	/nfs/dbraw/zinc/16/24/30/195162430.db2.gz	MDZKJHQSJHYOHJ-HFYZCPLSSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vivo	JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000059417540	195399688	/nfs/dbraw/zinc/39/96/88/195399688.db2.gz	LQBSREBWRYQMDC-UHFFFAOYSA-N	-1	0	499.411	6.302	40	0		JKABRM
O=C([O-])c1cc(Cl)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(Cl)c1	ZINC000059843126	195412835	/nfs/dbraw/zinc/41/28/35/195412835.db2.gz	HURXSKLYCQSKKC-UHFFFAOYSA-N	-1	0	453.734	5.625	40	0		JKABRM
CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1OCC(=O)[O-]	ZINC000106715522	195459884	/nfs/dbraw/zinc/45/98/84/195459884.db2.gz	JWSUYBDRFOBVLS-MFOYZWKCSA-N	-1	0	482.341	5.092	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1	ZINC000224878658	195473448	/nfs/dbraw/zinc/47/34/48/195473448.db2.gz	OUPSKFBLJWJXTA-DHIUTWEWSA-N	-1	0	490.972	5.107	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634334	195480053	/nfs/dbraw/zinc/48/00/53/195480053.db2.gz	PVEPCODCLDJBJE-MOSHPQCFSA-N	-1	0	486.380	6.750	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc(Cl)c3Cl)C(=O)[O-])o2)c1	ZINC000408634287	195480056	/nfs/dbraw/zinc/48/00/56/195480056.db2.gz	TXNPDMZBQHJMEX-NVNXTCNLSA-N	-1	0	453.303	5.278	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1	ZINC000408635350	195484423	/nfs/dbraw/zinc/48/44/23/195484423.db2.gz	ZRXSXQXNJCBMJW-OYKKKHCWSA-N	-1	0	474.969	7.010	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)c(I)o1)Sc1nc2ccccc2o1	ZINC000408635357	195484512	/nfs/dbraw/zinc/48/45/12/195484512.db2.gz	ZUWQXRBQYOROSK-WDZFZDKYSA-N	-1	0	492.088	5.006	40	0		JKABRM
C[C@H]1[C@H](C(=O)[O-])C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000095933337	129940308	/nfs/dbraw/zinc/94/03/08/129940308.db2.gz	QGMNTKNSMLYTKS-ICBHFZINSA-N	-1	0	470.694	6.269	40	0		JKABRM
O=C(Nc1cccc(Cl)c1)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21	ZINC000102968378	130433178	/nfs/dbraw/zinc/43/31/78/130433178.db2.gz	WWCNKUDKBYRCCD-OZXSUGGESA-N	-1	0	483.907	5.412	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000031158041	520412528	/nfs/dbraw/zinc/41/25/28/520412528.db2.gz	RWNHLTKFBKYDOJ-PIMPREGSSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000020460709	521221221	/nfs/dbraw/zinc/22/12/21/521221221.db2.gz	IRJWFCQGKYUPQI-GOSISDBHSA-N	-1	0	487.021	5.647	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000020456343	521256037	/nfs/dbraw/zinc/25/60/37/521256037.db2.gz	BFNUXKXVLVKVTI-KRWDZBQOSA-N	-1	0	472.994	5.339	40	0		JKABRM
CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020168159	521372135	/nfs/dbraw/zinc/37/21/35/521372135.db2.gz	XEFTURXBGVCKDL-XTCWOQMQSA-N	-1	0	463.555	5.430	40	0		JKABRM
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1	ZINC000020293969	521770427	/nfs/dbraw/zinc/77/04/27/521770427.db2.gz	RCNNOBSFNMPDLB-LPWQTFTOSA-N	-1	0	469.603	5.493	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000022510222	521778931	/nfs/dbraw/zinc/77/89/31/521778931.db2.gz	ZAYINCNGZFXFBC-UHFFFAOYSA-N	-1	0	475.035	6.122	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(C)cc1	ZINC000020457217	522784578	/nfs/dbraw/zinc/78/45/78/522784578.db2.gz	SPBDFDHKCAEJNN-JOCHJYFZSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC)cc1	ZINC000020457293	522786221	/nfs/dbraw/zinc/78/62/21/522786221.db2.gz	DITACWUKRNPIHL-OAQYLSRUSA-N	-1	0	458.967	5.031	40	0		JKABRM
CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000044885599	522918652	/nfs/dbraw/zinc/91/86/52/522918652.db2.gz	BRKNIJPBTZGYBW-KRWDZBQOSA-N	-1	0	468.025	5.107	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)c1	ZINC000022526599	524160802	/nfs/dbraw/zinc/16/08/02/524160802.db2.gz	JZXLFAIRQVDIAN-QFIPXVFZSA-N	-1	0	469.006	5.565	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000022531145	524161810	/nfs/dbraw/zinc/16/18/10/524161810.db2.gz	SPIOOVLAPQICDC-UHFFFAOYSA-N	-1	0	477.413	5.683	40	0		JKABRM
COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000020459488	524435732	/nfs/dbraw/zinc/43/57/32/524435732.db2.gz	XGQUELFEXRRCGK-UHFFFAOYSA-N	-1	0	472.994	5.038	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)c1C	ZINC000044899812	524689319	/nfs/dbraw/zinc/68/93/19/524689319.db2.gz	KNDPAGDANCYISD-DEOSSOPVSA-N	-1	0	485.049	6.275	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000020487059	524690329	/nfs/dbraw/zinc/69/03/29/524690329.db2.gz	KNBLKAHIVPZBPZ-UHFFFAOYSA-N	-1	0	463.386	5.375	40	0		JKABRM
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000022708881	524754072	/nfs/dbraw/zinc/75/40/72/524754072.db2.gz	MEQKVXZWXDEHLB-YSGRDPCXSA-N	-1	0	472.994	5.373	40	0		JKABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2n[n-]c(=S)s2)c1	ZINC000016768842	524841076	/nfs/dbraw/zinc/84/10/76/524841076.db2.gz	KMRKRVRJGPHOTB-UHFFFAOYSA-N	-1	0	471.391	5.301	40	0		JKABRM
C[C@H]1C[C@H](C)CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)C1	ZINC000022852534	524887967	/nfs/dbraw/zinc/88/79/67/524887967.db2.gz	AZUBLUCUVBKMRJ-LXIYXOSZSA-N	-1	0	477.417	6.131	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(Cl)c1Cl	ZINC000020483393	525087461	/nfs/dbraw/zinc/08/74/61/525087461.db2.gz	NUPNYYILYMZDST-UHFFFAOYSA-N	-1	0	492.424	6.331	40	0		JKABRM
COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000044841041	525143065	/nfs/dbraw/zinc/14/30/65/525143065.db2.gz	HUSDIVBBYDEFOB-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)c(C)c1	ZINC000020490607	525294944	/nfs/dbraw/zinc/29/49/44/525294944.db2.gz	UOGHNXSDZOQGQZ-MRXNPFEDSA-N	-1	0	460.958	5.388	40	0		JKABRM
Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1	ZINC000020494011	525372617	/nfs/dbraw/zinc/37/26/17/525372617.db2.gz	SYAZGDUXGIPQMC-DEOSSOPVSA-N	-1	0	462.596	5.377	40	0		JKABRM
Cc1ccccc1[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000020458445	525372663	/nfs/dbraw/zinc/37/26/63/525372663.db2.gz	FGIUTMPSFWRLGU-SANMLTNESA-N	-1	0	456.567	5.315	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000020451359	525715180	/nfs/dbraw/zinc/71/51/80/525715180.db2.gz	FBKCAQDXZAQMGI-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(C)c1	ZINC000044880200	525909761	/nfs/dbraw/zinc/90/97/61/525909761.db2.gz	YWXJEXYKPDOPDY-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000022524973	527021999	/nfs/dbraw/zinc/02/19/99/527021999.db2.gz	VAESZQOXDXTGEK-UHFFFAOYSA-N	-1	0	482.414	5.061	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(CN2CCCc3ccccc32)cc1	ZINC000020462697	527255174	/nfs/dbraw/zinc/25/51/74/527255174.db2.gz	QXNHSQIMRFQBQD-UHFFFAOYSA-N	-1	0	498.608	5.088	40	0		JKABRM
O=C([O-])c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3ccc(F)cc32)c1	ZINC000000922174	553855857	/nfs/dbraw/zinc/85/58/57/553855857.db2.gz	QOKUVHNXTSLISH-UHFFFAOYSA-N	-1	0	451.454	5.004	40	0		JKABRM
CCOc1cc(NC(=O)CC(C)C)c(OCC)cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000001324475	553941743	/nfs/dbraw/zinc/94/17/43/553941743.db2.gz	NBHTYQMLQLPBEZ-UHFFFAOYSA-N	-1	0	499.427	5.032	40	0		JKABRM
O=C([O-])[C@@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1	ZINC000001675876	553982510	/nfs/dbraw/zinc/98/25/10/553982510.db2.gz	PFXBHAMNGFNJBY-RPWUZVMVSA-N	-1	0	450.332	5.060	40	0		JKABRM
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1	ZINC000003197024	554429613	/nfs/dbraw/zinc/42/96/13/554429613.db2.gz	OBCVFEFXVBQEGC-UHFFFAOYSA-N	-1	0	483.178	6.841	40	0		JKABRM
COc1ccc([C@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(OCC(=O)[O-])c1	ZINC000003626606	554466987	/nfs/dbraw/zinc/46/69/87/554466987.db2.gz	FMMVRJFIUGGRRO-LBNVMWSVSA-N	-1	0	466.574	5.847	40	0		JKABRM
CC1(C)O[C@@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@H]1C(=O)[O-]	ZINC000003845887	554471227	/nfs/dbraw/zinc/47/12/27/554471227.db2.gz	ZEUOHNFKJGAXCN-YCRNBWNJSA-N	-1	0	467.400	5.603	40	0		JKABRM
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C	ZINC000004536314	554477900	/nfs/dbraw/zinc/47/79/00/554477900.db2.gz	WLNARFZDISHUGS-ZYWKKTGGSA-N	-1	0	486.737	7.804	40	0		JKABRM
O=C1O[C@@](c2ccccc2)(c2cc(Br)c([O-])c(Br)c2)c2ccccc21	ZINC000004692305	554478999	/nfs/dbraw/zinc/47/89/99/554478999.db2.gz	VPEHKIYQFVOKIE-FQEVSTJZSA-N	-1	0	460.121	5.380	40	0		JKABRM
C[C@@H]1C(=O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000005664336	554492629	/nfs/dbraw/zinc/49/26/29/554492629.db2.gz	WHWHDGKOSUKYOV-JJFJUTGNSA-N	-1	0	456.711	7.522	40	0		JKABRM
CC(=O)[C@@]1(C)CC[C@@H]2[C@@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@]2(C)[C@@H]1CCC(=O)[O-]	ZINC000005742641	554493843	/nfs/dbraw/zinc/49/38/43/554493843.db2.gz	XPQHBSJTCFLKRX-UNWYWBRGSA-N	-1	0	458.727	7.912	40	0		JKABRM
CC(C)(C)[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000005957649	554499090	/nfs/dbraw/zinc/49/90/90/554499090.db2.gz	IKTVSAXCEBKIPT-DIIVSRTPSA-N	-1	0	470.569	5.699	40	0		JKABRM
CCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)cc2Cl	ZINC000008765710	554666464	/nfs/dbraw/zinc/66/64/64/554666464.db2.gz	LRQUEXPEGIZCRJ-UHFFFAOYSA-N	-1	0	462.738	5.679	40	0		JKABRM
CC(C)(C)[C@@H]1CCc2oc3c(cc([N-]S(=O)(=O)c4ccc5ccccc5c4)c4ccccc34)c2C1	ZINC000008765748	554666513	/nfs/dbraw/zinc/66/65/13/554666513.db2.gz	YBJZUFNWOQZLDP-OAQYLSRUSA-N	-1	0	483.633	7.691	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c(OC)c1	ZINC000008810557	554690788	/nfs/dbraw/zinc/69/07/88/554690788.db2.gz	LSPFFUPYLLCVST-UHFFFAOYSA-N	-1	0	499.347	5.203	40	0		JKABRM
CC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccc(C(=O)[O-])c4)c4ccccc34)c2C1	ZINC000008834335	554732016	/nfs/dbraw/zinc/73/20/16/554732016.db2.gz	XWMSKPRDFBVKCW-QGZVFWFLSA-N	-1	0	477.582	6.236	40	0		JKABRM
CCN1c2ccc(S(=O)(=O)[N-]c3cc4c(oc(C)c4C(C)=O)c4ccccc34)c3cccc(c23)C1=O	ZINC000008870441	554765418	/nfs/dbraw/zinc/76/54/18/554765418.db2.gz	OEEMYIZSVSJSRA-UHFFFAOYSA-N	-1	0	498.560	6.031	40	0		JKABRM
CCN1c2ccc(S(=O)(=O)[N-]c3cc4c5c(oc4c4ccccc34)CCCC5)c3cccc(c23)C1=O	ZINC000008870442	554765588	/nfs/dbraw/zinc/76/55/88/554765588.db2.gz	JUKSDDYTDPENMC-UHFFFAOYSA-N	-1	0	496.588	6.399	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000008952016	554835358	/nfs/dbraw/zinc/83/53/58/554835358.db2.gz	MDZKJHQSJHYOHJ-SXISEVPCSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vivo	JKABRM
Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]24C=C(C(C)C)[C@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)c1	ZINC000009033575	554867647	/nfs/dbraw/zinc/86/76/47/554867647.db2.gz	MRRXYEYSIFOGFP-XNNROGHKSA-N	-1	0	489.656	6.010	40	0		JKABRM
O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccccc1	ZINC000009076127	554887372	/nfs/dbraw/zinc/88/73/72/554887372.db2.gz	NGKKCMHSBRWVPL-HFASVGIHSA-N	-1	0	480.951	5.713	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Cl	ZINC000009142306	554935288	/nfs/dbraw/zinc/93/52/88/554935288.db2.gz	APOFHSGTQFNMHQ-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2C(=O)[O-])[C@@H]3c2ccc(OC)cc2)cc1	ZINC000013145789	555343589	/nfs/dbraw/zinc/34/35/89/555343589.db2.gz	SRLCPUQDDJJIHT-QULJYJBOSA-N	-1	0	496.563	5.839	40	0		JKABRM
O=P([N-]C(=S)Nc1ccc(Br)cn1)(Oc1ccccc1)Oc1ccccc1	ZINC000013283265	555371136	/nfs/dbraw/zinc/37/11/36/555371136.db2.gz	NMUKSAMIJOLYMM-UHFFFAOYSA-N	-1	0	464.281	5.397	40	0		JKABRM
O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3O)c([O-])c(Cc3ccccc3O)c(O)c21	ZINC000013451339	555400920	/nfs/dbraw/zinc/40/09/20/555400920.db2.gz	WBZSDBHJYZORRP-VWLOTQADSA-N	-1	0	468.505	5.397	40	0	biogenic,in-vitro	JKABRM
CC/C(=C\C=C\[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@H]1C	ZINC000009779025	555498123	/nfs/dbraw/zinc/49/81/23/555498123.db2.gz	HSZFOQSMGNAIJM-ZXBMYISFSA-N	-1	0	465.634	6.213	40	0		JKABRM
Cc1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)[O-])s2)cc1Cl	ZINC000019894586	555532958	/nfs/dbraw/zinc/53/29/58/555532958.db2.gz	JXAFJSJWUFVEKW-UHFFFAOYSA-N	-1	0	450.947	6.935	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1N1CCCC1=O	ZINC000019933985	555551212	/nfs/dbraw/zinc/55/12/12/555551212.db2.gz	NGLSHFYQKPMDRF-UHFFFAOYSA-N	-1	0	456.951	5.368	40	0		JKABRM
CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000013672329	555563820	/nfs/dbraw/zinc/56/38/20/555563820.db2.gz	OLQDILWMRQTNRA-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)c(C)c1	ZINC000013672229	555563966	/nfs/dbraw/zinc/56/39/66/555563966.db2.gz	DMTZMLWKJZEUSE-KRWDZBQOSA-N	-1	0	454.979	5.349	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)cc1C	ZINC000013676620	555567521	/nfs/dbraw/zinc/56/75/21/555567521.db2.gz	GHAMEKHXRQQESV-QGZVFWFLSA-N	-1	0	454.979	5.349	40	0		JKABRM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccccc1	ZINC000009972586	555572330	/nfs/dbraw/zinc/57/23/30/555572330.db2.gz	NPMOOBNEFHATLA-XQNSMLJCSA-N	-1	0	486.593	5.058	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000009973155	555573744	/nfs/dbraw/zinc/57/37/44/555573744.db2.gz	GSPSXRKQXAXBHR-RGZVIEDOSA-N	-1	0	479.385	5.011	40	0		JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000020035612	555610124	/nfs/dbraw/zinc/61/01/24/555610124.db2.gz	KDJUQNIWWXDCOD-QGZVFWFLSA-N	-1	0	472.994	5.339	40	0		JKABRM
COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1	ZINC000020036302	555610532	/nfs/dbraw/zinc/61/05/32/555610532.db2.gz	PTSHQYOTAZRUSH-UHFFFAOYSA-N	-1	0	472.994	5.038	40	0		JKABRM
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000020041552	555613962	/nfs/dbraw/zinc/61/39/62/555613962.db2.gz	KQFURWPMFNPMFY-UHFFFAOYSA-N	-1	0	488.443	5.123	40	0		JKABRM
Cc1ccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000010110516	555620580	/nfs/dbraw/zinc/62/05/80/555620580.db2.gz	OYLHHZMIUOGRCU-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1	ZINC000020061010	555623818	/nfs/dbraw/zinc/62/38/18/555623818.db2.gz	DWOIHTWIBOPGNN-UHFFFAOYSA-N	-1	0	491.034	5.330	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1	ZINC000010112007	555624284	/nfs/dbraw/zinc/62/42/84/555624284.db2.gz	ZQEFMITUFDHJCK-SFHVURJKSA-N	-1	0	485.049	6.238	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1	ZINC000010112008	555624289	/nfs/dbraw/zinc/62/42/89/555624289.db2.gz	ZQEFMITUFDHJCK-GOSISDBHSA-N	-1	0	485.049	6.238	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)c1	ZINC000010112468	555625628	/nfs/dbraw/zinc/62/56/28/555625628.db2.gz	LCINMGNIFWOPBG-KRWDZBQOSA-N	-1	0	454.979	5.349	40	0		JKABRM
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(C)c1	ZINC000010112360	555625745	/nfs/dbraw/zinc/62/57/45/555625745.db2.gz	RAOIEIXIOIZYOF-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c(C)c1	ZINC000010112359	555625771	/nfs/dbraw/zinc/62/57/71/555625771.db2.gz	UJRXDWZALHGIIF-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c(OC)c1	ZINC000020104087	555635956	/nfs/dbraw/zinc/63/59/56/555635956.db2.gz	JGDAAPRBZWJTLH-GOSISDBHSA-N	-1	0	498.601	5.034	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)cc2)c(OC)c1	ZINC000020104089	555636241	/nfs/dbraw/zinc/63/62/41/555636241.db2.gz	JGDAAPRBZWJTLH-SFHVURJKSA-N	-1	0	498.601	5.034	40	0		JKABRM
CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000020107910	555642233	/nfs/dbraw/zinc/64/22/33/555642233.db2.gz	IFXFVKRBLAYVOK-JOCHJYFZSA-N	-1	0	488.993	5.254	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)c1	ZINC000020110864	555647182	/nfs/dbraw/zinc/64/71/82/555647182.db2.gz	JFOWILPLTSCDSR-UHFFFAOYSA-N	-1	0	498.004	5.137	40	0		JKABRM
COc1c(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc2ccccc2c1Br	ZINC000020139221	555662387	/nfs/dbraw/zinc/66/23/87/555662387.db2.gz	NPGYGUXJKPEKPP-UHFFFAOYSA-N	-1	0	469.118	5.868	40	0		JKABRM
COc1c(Br)cc(Br)cc1C(=O)Nc1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000020141272	555663229	/nfs/dbraw/zinc/66/32/29/555663229.db2.gz	NMZQCLQAAYVVPR-UHFFFAOYSA-N	-1	0	497.954	5.478	40	0		JKABRM
O=C([O-])c1cc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(Cl)cc1Cl	ZINC000020143665	555664158	/nfs/dbraw/zinc/66/41/58/555664158.db2.gz	KGFIIIVANPCCSI-UHFFFAOYSA-N	-1	0	454.265	5.717	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000020145419	555664398	/nfs/dbraw/zinc/66/43/98/555664398.db2.gz	PXAYNQAYLOSMKT-QPJJXVBHSA-N	-1	0	450.249	5.751	40	0		JKABRM
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)[O-])c(Cl)cc3Cl)o2)cc1Cl	ZINC000020145463	555664711	/nfs/dbraw/zinc/66/47/11/555664711.db2.gz	UYAGLZSRDNVQTA-FNORWQNLSA-N	-1	0	450.705	6.565	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(-c3nc4ccccc4s3)c2)cc1	ZINC000020157850	555676520	/nfs/dbraw/zinc/67/65/20/555676520.db2.gz	VOBXNJRARKECBK-UHFFFAOYSA-N	-1	0	460.555	5.977	40	0		JKABRM
CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020168158	555678637	/nfs/dbraw/zinc/67/86/37/555678637.db2.gz	BALQHTAUOZEFSF-LPWQTFTOSA-N	-1	0	469.603	5.575	40	0		JKABRM
O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O	ZINC000014132452	555700043	/nfs/dbraw/zinc/70/00/43/555700043.db2.gz	XDIWYVQYDYJECJ-RGVLZGJSSA-N	-1	0	498.354	5.302	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1	ZINC000014153001	555708774	/nfs/dbraw/zinc/70/87/74/555708774.db2.gz	ZBZHJGUIUOZMQC-UHFFFAOYSA-N	-1	0	469.379	5.616	40	0		JKABRM
COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1C	ZINC000014153364	555709444	/nfs/dbraw/zinc/70/94/44/555709444.db2.gz	UMHIQXFTGLAJAK-UHFFFAOYSA-N	-1	0	486.977	5.105	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSc3ccc(C)cc3)ccc2Cl)cc1	ZINC000014153731	555710055	/nfs/dbraw/zinc/71/00/55/555710055.db2.gz	OTTULJDVRFTUSS-UHFFFAOYSA-N	-1	0	475.035	5.280	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccccc3C)ccc2Cl)c1	ZINC000014153794	555710277	/nfs/dbraw/zinc/71/02/77/555710277.db2.gz	CJLCZBZCVMWHNR-UHFFFAOYSA-N	-1	0	489.062	5.421	40	0		JKABRM
Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1	ZINC000014154054	555710678	/nfs/dbraw/zinc/71/06/78/555710678.db2.gz	CWURLLMBYPCFTI-UHFFFAOYSA-N	-1	0	456.995	5.935	40	0		JKABRM
COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1	ZINC000014153952	555710756	/nfs/dbraw/zinc/71/07/56/555710756.db2.gz	MNMMWMQAPZHUPA-UHFFFAOYSA-N	-1	0	493.368	5.142	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c(C)c1	ZINC000014154206	555711257	/nfs/dbraw/zinc/71/12/57/555711257.db2.gz	GGJVVDSGDXIXQU-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)c1	ZINC000014154409	555711514	/nfs/dbraw/zinc/71/15/14/555711514.db2.gz	WGXXBWYTQBFDSG-UHFFFAOYSA-N	-1	0	483.804	5.686	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3F)ccc2Cl)c(C)c1	ZINC000014154471	555711585	/nfs/dbraw/zinc/71/15/85/555711585.db2.gz	WSZLHKIKGMIKQP-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1Cl	ZINC000014154730	555712279	/nfs/dbraw/zinc/71/22/79/555712279.db2.gz	MNEGZTLHUUJVOC-UHFFFAOYSA-N	-1	0	479.385	5.672	40	0		JKABRM
COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1C	ZINC000014155143	555712998	/nfs/dbraw/zinc/71/29/98/555712998.db2.gz	CMVZSNUIZPARFM-UHFFFAOYSA-N	-1	0	486.977	5.105	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2Cl)c1C	ZINC000014155097	555713063	/nfs/dbraw/zinc/71/30/63/555713063.db2.gz	SLDGWBOHZUOOMU-UHFFFAOYSA-N	-1	0	497.831	5.994	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3F)ccc2Cl)cc1	ZINC000014155226	555713160	/nfs/dbraw/zinc/71/31/60/555713160.db2.gz	CGBAJFJQJHRAJO-UHFFFAOYSA-N	-1	0	497.773	5.603	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c1	ZINC000014155266	555713388	/nfs/dbraw/zinc/71/33/88/555713388.db2.gz	ZHWFODYUJVZSFN-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3-c3ccccc3)ccc2Cl)c(C)c1	ZINC000014155465	555713714	/nfs/dbraw/zinc/71/37/14/555713714.db2.gz	AYWYOFONRUACMF-UHFFFAOYSA-N	-1	0	491.012	6.677	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1cc(Br)ccc1Cl	ZINC000014270327	555762257	/nfs/dbraw/zinc/76/22/57/555762257.db2.gz	MHRFONVUWRHLFB-UHFFFAOYSA-N	-1	0	454.560	5.242	40	0		JKABRM
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)C)cc1	ZINC000020293975	555762632	/nfs/dbraw/zinc/76/26/32/555762632.db2.gz	CTEHAJJGIQWSPZ-UMGGQSCQSA-N	-1	0	455.576	5.319	40	0		JKABRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014274588	555777345	/nfs/dbraw/zinc/77/73/45/555777345.db2.gz	NNZOZRQWLQVOPP-RMKNXTFCSA-N	-1	0	475.353	5.786	40	0		JKABRM
CCN(CC)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000014356484	555795997	/nfs/dbraw/zinc/79/59/97/555795997.db2.gz	MJQAJGZBMKPXHA-XUVXKRRUSA-N	-1	0	485.650	5.107	40	0		JKABRM
O=C([O-])c1ccccc1N(CCC1=CCCCC1)S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2	ZINC000011691661	555800714	/nfs/dbraw/zinc/80/07/14/555800714.db2.gz	PPLQLHBQWIENOE-UHFFFAOYSA-N	-1	0	476.554	5.190	40	0		JKABRM
O=C([O-])/C=C\c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1	ZINC000011726196	555805887	/nfs/dbraw/zinc/80/58/87/555805887.db2.gz	ZJLFOOWTDISDIO-BENRWUELSA-N	-1	0	460.382	6.400	40	0		JKABRM
CC(C)OC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020549784	555806715	/nfs/dbraw/zinc/80/67/15/555806715.db2.gz	LPIIKOGITYMZCS-WAGURGNTSA-N	-1	0	477.582	5.819	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000014980267	555841774	/nfs/dbraw/zinc/84/17/74/555841774.db2.gz	MDZKJHQSJHYOHJ-WWDUYRIUSA-N	-1	0	472.710	6.204	40	0	biogenic	JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C	ZINC000021146803	555850085	/nfs/dbraw/zinc/85/00/85/555850085.db2.gz	WCGUUGGRBIKTOS-VNUYBUQPSA-N	-1	0	456.711	7.090	40	0	biogenic	JKABRM
CCCCOc1ccc2nc([N-][C@@](NC(=O)CCCC)(C(=O)OCC)C(F)(F)F)sc2c1	ZINC000015276999	555892551	/nfs/dbraw/zinc/89/25/51/555892551.db2.gz	HAVGMSGQNGLWNJ-FQEVSTJZSA-N	-1	0	475.533	5.015	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	ZINC000022705999	555943268	/nfs/dbraw/zinc/94/32/68/555943268.db2.gz	XEWDVXMXFBPQST-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]13	ZINC000012661561	556101392	/nfs/dbraw/zinc/10/13/92/556101392.db2.gz	XFIWQQAILDPLJC-RBSGYFCJSA-N	-1	0	475.629	5.702	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)S2)cc1	ZINC000016161911	556127391	/nfs/dbraw/zinc/12/73/91/556127391.db2.gz	BMEHEZPNBDGZJR-MTCPJELPSA-N	-1	0	454.935	5.460	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)S2)cc1	ZINC000016161913	556127424	/nfs/dbraw/zinc/12/74/24/556127424.db2.gz	BMEHEZPNBDGZJR-SNXNUMJZSA-N	-1	0	454.935	5.460	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cccc2c(Br)cccc12	ZINC000016431530	556139192	/nfs/dbraw/zinc/13/91/92/556139192.db2.gz	RGLBZOROYUWHBI-UHFFFAOYSA-N	-1	0	498.185	5.734	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12	ZINC000016431537	556139206	/nfs/dbraw/zinc/13/92/06/556139206.db2.gz	GEOXLFJBSIHONR-UHFFFAOYSA-N	-1	0	463.740	5.081	40	0		JKABRM
CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])cc1	ZINC000016638271	556149441	/nfs/dbraw/zinc/14/94/41/556149441.db2.gz	PTOPDXXCIHEGNG-UHFFFAOYSA-N	-1	0	479.396	5.233	40	0		JKABRM
O=C([O-])[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCc1ccccc1	ZINC000016931429	556180897	/nfs/dbraw/zinc/18/08/97/556180897.db2.gz	AXGBGCZDGIBZPI-HHHXNRCGSA-N	-1	0	497.616	6.091	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)N1CCCC1	ZINC000026115248	556245659	/nfs/dbraw/zinc/24/56/59/556245659.db2.gz	KNHHLLCXURMYOO-UHFFFAOYSA-N	-1	0	484.668	5.597	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCCCC1	ZINC000026116713	556246591	/nfs/dbraw/zinc/24/65/91/556246591.db2.gz	RPPFNXLGSDTFMC-UHFFFAOYSA-N	-1	0	482.627	5.628	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1C(=O)N1CCC(C)CC1	ZINC000026118633	556247854	/nfs/dbraw/zinc/24/78/54/556247854.db2.gz	DSZFUIJOFHCTQL-UHFFFAOYSA-N	-1	0	472.554	5.100	40	0		JKABRM
O=C([O-])CS[C@](c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1cccc2ccccc21	ZINC000017287968	556251164	/nfs/dbraw/zinc/25/11/64/556251164.db2.gz	CCMBSYFPRLLDJQ-WJOKGBTCSA-N	-1	0	460.598	7.617	40	0		JKABRM
CCOc1cc(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2N2CCCCC2)ccc1C(=O)[O-]	ZINC000027626180	556301297	/nfs/dbraw/zinc/30/12/97/556301297.db2.gz	MHMMEOVDUOZDJA-SANMLTNESA-N	-1	0	486.612	5.417	40	0	in-vitro	JKABRM
O=[P@@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000027987239	556310965	/nfs/dbraw/zinc/31/09/65/556310965.db2.gz	ZZJOMEARMHMSDN-HSZRJFAPSA-N	-1	0	453.866	5.159	40	0		JKABRM
O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)ccc21	ZINC000028206683	556317340	/nfs/dbraw/zinc/31/73/40/556317340.db2.gz	KDNWJLYKWNUNCF-UHFFFAOYSA-N	-1	0	486.618	5.842	40	0		JKABRM
CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000030750985	556370875	/nfs/dbraw/zinc/37/08/75/556370875.db2.gz	HQYXDPVURCUYTE-HSZRJFAPSA-N	-1	0	482.602	5.217	40	0		JKABRM
Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)cc2)cc1	ZINC000030758724	556374282	/nfs/dbraw/zinc/37/42/82/556374282.db2.gz	FBGKKBSMFTWKFR-UHFFFAOYSA-N	-1	0	489.622	5.735	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2Cl)cc1	ZINC000030848527	556376530	/nfs/dbraw/zinc/37/65/30/556376530.db2.gz	XHCROINNXJNBFB-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
CC1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])C[C@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000031538141	556398908	/nfs/dbraw/zinc/39/89/08/556398908.db2.gz	RUJQEBHXYLCSKV-UPUNVFHVSA-N	-1	0	470.694	6.413	40	0		JKABRM
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1Cl	ZINC000032116377	556423219	/nfs/dbraw/zinc/42/32/19/556423219.db2.gz	OKJNZSWSESNRKE-UHFFFAOYSA-N	-1	0	487.737	6.267	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc2ccccc2c1	ZINC000032116396	556423255	/nfs/dbraw/zinc/42/32/55/556423255.db2.gz	BEPJVTGREVVPLQ-UHFFFAOYSA-N	-1	0	459.299	6.368	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccc2ccccc21	ZINC000032116563	556424204	/nfs/dbraw/zinc/42/42/04/556424204.db2.gz	ZDYNERIVRNYWPD-UHFFFAOYSA-N	-1	0	459.299	6.368	40	0		JKABRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cccc2ccccc21	ZINC000032116641	556424485	/nfs/dbraw/zinc/42/44/85/556424485.db2.gz	UEXSNACAUWXXFM-UHFFFAOYSA-N	-1	0	480.181	5.197	40	0		JKABRM
Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1C	ZINC000032116614	556424494	/nfs/dbraw/zinc/42/44/94/556424494.db2.gz	MIKWTNCLKQDULH-UHFFFAOYSA-N	-1	0	496.386	5.707	40	0		JKABRM
Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c(Cl)c1	ZINC000032116640	556424549	/nfs/dbraw/zinc/42/45/49/556424549.db2.gz	XRRJVGBOMWKYJZ-UHFFFAOYSA-N	-1	0	457.711	6.177	40	0		JKABRM
COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116667	556424801	/nfs/dbraw/zinc/42/48/01/556424801.db2.gz	SOAOLBLQZYLXHC-UHFFFAOYSA-N	-1	0	498.358	5.098	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)C(c1ccccc1)c1ccccc1	ZINC000032116699	556424875	/nfs/dbraw/zinc/42/48/75/556424875.db2.gz	FCYINIZLDATDKS-UHFFFAOYSA-N	-1	0	461.153	5.688	40	0		JKABRM
CC(C)c1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1	ZINC000032116733	556425152	/nfs/dbraw/zinc/42/51/52/556425152.db2.gz	XTKZHSCIUJOXCH-UHFFFAOYSA-N	-1	0	472.202	5.167	40	0		JKABRM
C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C1=CC[C@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@@H](O)C[C@@H](O)[C@]21C)C(=O)[O-]	ZINC000514288254	560035332	/nfs/dbraw/zinc/03/53/32/560035332.db2.gz	YQXLCRFLNIXKQV-QJRFNWPSSA-N	-1	0	472.710	6.371	40	0	biogenic,in-vitro	JKABRM
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O	ZINC000245377360	560037004	/nfs/dbraw/zinc/03/70/04/560037004.db2.gz	JZFSMVXQUWRSIW-GNSVDKAYSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
CC1(C)[C@@H]2CC[C@@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O	ZINC000245377359	560037019	/nfs/dbraw/zinc/03/70/19/560037019.db2.gz	JZFSMVXQUWRSIW-DPJNYECVSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5[C@H](O)C[C@]43C)[C@@H]2[C@]1(C)O	ZINC000253390031	560039229	/nfs/dbraw/zinc/03/92/29/560039229.db2.gz	JPGOJQJBPLCRQP-OGYMCZJCSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000252515736	560040916	/nfs/dbraw/zinc/04/09/16/560040916.db2.gz	NBGQZFQREPIKMG-SKZLONOZSA-N	-1	0	456.711	7.090	40	0	biogenic,in-vitro	JKABRM
CC(C)=CCC/C(C)=C/Cc1c(O)ccc(-c2oc3cc([O-])cc(O)c3c(=O)c2CC=C(C)C)c1O	ZINC000070454679	560048158	/nfs/dbraw/zinc/04/81/58/560048158.db2.gz	GLWAWFMOTOFEGT-VXLYETTFSA-N	-1	0	490.596	7.026	40	0	biogenic,in-vitro	JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-]	ZINC000072320124	560077895	/nfs/dbraw/zinc/07/78/95/560077895.db2.gz	IAWGZKRQDHPFCZ-GBTDWRPASA-N	-1	0	498.748	7.804	40	0	biogenic,in-vitro	JKABRM
COC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(C3=CCCCC3)sc2C(=O)[O-])CC1	ZINC000052509439	563204761	/nfs/dbraw/zinc/20/47/61/563204761.db2.gz	LNYKGELUODVSNS-UHFFFAOYSA-N	-1	0	459.652	6.521	40	0		JKABRM
CC(C)(C)OC(=O)N[C@H](CSC(c1cccs1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000008628491	569592344	/nfs/dbraw/zinc/59/23/44/569592344.db2.gz	RXCZEEXWQDYEOW-HXUWFJFHSA-N	-1	0	469.628	5.751	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCCCCCCCCCCC[NH2+][C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000008660394	569592556	/nfs/dbraw/zinc/59/25/56/569592556.db2.gz	KKFVLVJTNDFPHI-JLLPCOHGSA-N	-1	0	480.690	5.128	40	0		JKABRM
O=C(COc1cccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1)Nc1ccc(F)cc1	ZINC000033364143	569625115	/nfs/dbraw/zinc/62/51/15/569625115.db2.gz	QSXWHUDVWHGMQT-CIAFOILYSA-N	-1	0	493.878	5.003	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000033382902	569625415	/nfs/dbraw/zinc/62/54/15/569625415.db2.gz	AXJRFDHWCKXFRH-DEDYPNTBSA-N	-1	0	450.947	6.142	40	0		JKABRM
CCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	ZINC000033508985	569627109	/nfs/dbraw/zinc/62/71/09/569627109.db2.gz	YNSUMNVOJPDJGO-CPNJWEJPSA-N	-1	0	488.943	6.344	40	0		JKABRM
C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1	ZINC000033566988	569628069	/nfs/dbraw/zinc/62/80/69/569628069.db2.gz	VRTPUFXFALYLGD-KOEQRZSOSA-N	-1	0	485.609	5.893	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(O[C@@H](C)CC)c(Br)c3)C(=O)[N-]C2=S)cc1	ZINC000033627883	569629096	/nfs/dbraw/zinc/62/90/96/569629096.db2.gz	PWGPUIJRGUMAQQ-QCUKBLKESA-N	-1	0	487.419	5.860	40	0		JKABRM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)ccc2OC(=O)c2ccco2)C1=O	ZINC000033668352	569630423	/nfs/dbraw/zinc/63/04/23/569630423.db2.gz	ARYVFGPARIKIBJ-VBKFSLOCSA-N	-1	0	495.285	5.076	40	0		JKABRM
CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OCC	ZINC000033696815	569630943	/nfs/dbraw/zinc/63/09/43/569630943.db2.gz	JNCQYXYNGXEDOG-MHWRWJLKSA-N	-1	0	491.313	5.282	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)c1	ZINC000033702349	569631031	/nfs/dbraw/zinc/63/10/31/569631031.db2.gz	AJUKOLWGKRCZCG-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C)cc4)cc3)C(=O)[N-]C2=S)cc1	ZINC000033709416	569631293	/nfs/dbraw/zinc/63/12/93/569631293.db2.gz	UDYVQGPFOLYWCJ-LFVJCYFKSA-N	-1	0	456.567	5.808	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)[N-]C2=S)cc1	ZINC000033715744	569631557	/nfs/dbraw/zinc/63/15/57/569631557.db2.gz	ZZXARJXAOQKPSX-KGENOOAVSA-N	-1	0	478.017	6.290	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)cc1C	ZINC000033742057	569633222	/nfs/dbraw/zinc/63/32/22/569633222.db2.gz	FQIRLJXCUBSZJN-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1cccc(C)c1	ZINC000033759492	569633852	/nfs/dbraw/zinc/63/38/52/569633852.db2.gz	DHRCMLRHOPEMPL-RCCKNPSSSA-N	-1	0	484.508	5.428	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(C)c1	ZINC000033776543	569634243	/nfs/dbraw/zinc/63/42/43/569634243.db2.gz	FQSSYLXJIQQLBV-RGVLZGJSSA-N	-1	0	494.931	5.721	40	0		JKABRM
Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4C)C3=O)c2)cc1C	ZINC000033792671	569635224	/nfs/dbraw/zinc/63/52/24/569635224.db2.gz	MMMMIOAQAFIXEG-BUVRLJJBSA-N	-1	0	497.551	5.444	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000033854398	569636422	/nfs/dbraw/zinc/63/64/22/569636422.db2.gz	WZCWEEMWBNOYDQ-LDADJPATSA-N	-1	0	481.917	5.742	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000033881981	569636924	/nfs/dbraw/zinc/63/69/24/569636924.db2.gz	GRHWSQSNSTYASY-HMAPJEAMSA-N	-1	0	474.542	5.236	40	0		JKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)[O-]	ZINC000064859619	569639222	/nfs/dbraw/zinc/63/92/22/569639222.db2.gz	TZKUXMFOWSEBLN-KUBAVDMBSA-N	-1	0	496.820	11.230	40	0	in-vitro	JKABRM
CCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC	ZINC000034689971	569645745	/nfs/dbraw/zinc/64/57/45/569645745.db2.gz	IUCRIRYBXSLRJT-CPNJWEJPSA-N	-1	0	470.953	6.123	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000034721101	569652436	/nfs/dbraw/zinc/65/24/36/569652436.db2.gz	SZECOOHQRQLOMV-GDNBJRDFSA-N	-1	0	463.317	5.688	40	0		JKABRM
O=C(Oc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1	ZINC000034766609	569658548	/nfs/dbraw/zinc/65/85/48/569658548.db2.gz	BVDCGIQNIUOKRW-RGEXLXHISA-N	-1	0	491.297	5.175	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC	ZINC000034834376	569664785	/nfs/dbraw/zinc/66/47/85/569664785.db2.gz	XPIFOXXMEUXZST-LGMDPLHJSA-N	-1	0	456.926	5.733	40	0		JKABRM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C2=O)c1	ZINC000034839155	569666707	/nfs/dbraw/zinc/66/67/07/569666707.db2.gz	MOHZUZLXQDMMHI-YFEUJDIGSA-N	-1	0	472.925	5.431	40	0		JKABRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@H](C)CC)c(OC)c3)C2=O)cc1	ZINC000034839332	569666805	/nfs/dbraw/zinc/66/68/05/569666805.db2.gz	IDKCGQIELURGMT-XWAFYUISSA-N	-1	0	472.925	5.431	40	0		JKABRM
CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OCC	ZINC000034857170	569667560	/nfs/dbraw/zinc/66/75/60/569667560.db2.gz	NGLNJHDAEMUNIJ-WJDWOHSUSA-N	-1	0	489.391	5.308	40	0		JKABRM
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000035147329	569676065	/nfs/dbraw/zinc/67/60/65/569676065.db2.gz	FHKDWBHFCRWWSY-HSZRJFAPSA-N	-1	0	488.341	5.596	40	0		JKABRM
CCCCCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000035253628	569678799	/nfs/dbraw/zinc/67/87/99/569678799.db2.gz	NOMIISVIZJZOST-QNGOZBTKSA-N	-1	0	454.954	6.423	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1OC	ZINC000035252939	569678804	/nfs/dbraw/zinc/67/88/04/569678804.db2.gz	IQAJHSHFXOFGKI-VZWMTCDZSA-N	-1	0	458.898	5.041	40	0		JKABRM
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3-c3ccccc3C(=O)[O-])cc2C)cc1	ZINC000035315275	569680550	/nfs/dbraw/zinc/68/05/50/569680550.db2.gz	MKNPMYNXBUOGHJ-UHFFFAOYSA-N	-1	0	464.521	6.173	40	0		JKABRM
CCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OCC	ZINC000035352237	569681843	/nfs/dbraw/zinc/68/18/43/569681843.db2.gz	AUXOJKRTKSSCJW-RGEXLXHISA-N	-1	0	470.953	6.205	40	0		JKABRM
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]24C=C(C(C)C)[C@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@@H]2CC4)cc1	ZINC000035361856	569682301	/nfs/dbraw/zinc/68/23/01/569682301.db2.gz	YAHGOSRWKWIBRM-XNNROGHKSA-N	-1	0	489.656	6.010	40	0		JKABRM
O=C([O-])C1(Cc2cccc(Nc3nccs3)n2)CCC(Oc2cccc(Cl)c2F)CC1	ZINC000073069245	569704256	/nfs/dbraw/zinc/70/42/56/569704256.db2.gz	LCVIRAZGMYMNNT-UHFFFAOYSA-N	-1	0	461.946	5.709	40	0	in-man	JKABRM
C[C@@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000076945332	569704647	/nfs/dbraw/zinc/70/46/47/569704647.db2.gz	JXSVIVRDWWRQRT-AEBGSKBKSA-N	-1	0	488.709	5.033	40	0	in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000035570625	569704896	/nfs/dbraw/zinc/70/48/96/569704896.db2.gz	KAVKWHJDPYCYQA-PWGQJFPFSA-N	-1	0	479.705	7.575	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@H]2CC=C2[C@@H]4[C@H](C)[C@H](C)CC[C@@]4(C)CC[C@]23C)[C@]1(C)C(=O)[O-]	ZINC000085978342	569716838	/nfs/dbraw/zinc/71/68/38/569716838.db2.gz	YJBVHJIKNLBFDX-HAUZXYJOSA-N	-1	0	498.748	7.660	40	0	in-man	JKABRM
CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000095483665	569725189	/nfs/dbraw/zinc/72/51/89/569725189.db2.gz	KGTCDSBYSHPIRU-SGNDLWITSA-N	-1	0	460.961	5.689	40	0		JKABRM
CCOc1ccc2nc(Cl)c([C@H]3CC(c4cccc(OC)c4)=NN3C(=O)CCCC(=O)[O-])cc2c1	ZINC000095532188	569725487	/nfs/dbraw/zinc/72/54/87/569725487.db2.gz	NRBXCQNRRGOXDR-HSZRJFAPSA-N	-1	0	495.963	5.228	40	0		JKABRM
CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(C(=O)[O-])CC[C@]3(CO)CC[C@]21C	ZINC000095933352	569730706	/nfs/dbraw/zinc/73/07/06/569730706.db2.gz	HVLPFRAXQYBRJO-NYUYHRHFSA-N	-1	0	470.694	6.414	40	0		JKABRM
CN(CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])C(=O)OC(C)(C)C	ZINC000095950106	569731497	/nfs/dbraw/zinc/73/14/97/569731497.db2.gz	JHMSFOFHTAYQLS-HSZRJFAPSA-N	-1	0	482.577	5.016	40	0		JKABRM
CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCC(=O)[O-])[C@H]3c2ccc(OCC)cc2)cc1	ZINC000096401726	569740427	/nfs/dbraw/zinc/74/04/27/569740427.db2.gz	XQWUBUDZIHUSKO-VGCHZVNRSA-N	-1	0	476.573	5.472	40	0		JKABRM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000098044259	569749809	/nfs/dbraw/zinc/74/98/09/569749809.db2.gz	JMBKBGOKNZZJQA-HSZRJFAPSA-N	-1	0	482.577	5.016	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000100473642	569761834	/nfs/dbraw/zinc/76/18/34/569761834.db2.gz	JXSVIVRDWWRQRT-OYCVDOHKSA-N	-1	0	488.709	5.033	40	0	biogenic,in-vitro	JKABRM
O=C(C(=C([O-])c1cccs1)[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1)C(F)(F)F	ZINC000100538429	569764049	/nfs/dbraw/zinc/76/40/49/569764049.db2.gz	DSGZHIFRJJOMHW-YADHBBJMSA-N	-1	0	471.475	6.824	40	0		JKABRM
C[C@@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H]1C(=O)c1ccccc1	ZINC000100637248	569765925	/nfs/dbraw/zinc/76/59/25/569765925.db2.gz	DOMKDVRQFVLOLZ-QRXMYIDTSA-N	-1	0	491.381	5.255	40	0		JKABRM
O=C(N/C=C/c1cc(Cl)cc(Cl)c1)[C@H](c1csc2ccc(Cl)cc21)[P@](=O)([O-])O	ZINC000036377891	569773715	/nfs/dbraw/zinc/77/37/15/569773715.db2.gz	AAWWTPVQFZNTEM-IDOMTICXSA-N	-1	0	476.705	5.867	40	0		JKABRM
COc1cccc([C@H]2[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1	ZINC000100949242	569777536	/nfs/dbraw/zinc/77/75/36/569777536.db2.gz	JAKSDEKBLIRJKK-FSSWDIPSSA-N	-1	0	469.324	5.053	40	0		JKABRM
CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@@H]3C2=O)cc1	ZINC000101078128	569781755	/nfs/dbraw/zinc/78/17/55/569781755.db2.gz	AHVAHEGIIFNXEB-DSITVLBTSA-N	-1	0	476.960	5.570	40	0		JKABRM
Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000102728031	569817992	/nfs/dbraw/zinc/81/79/92/569817992.db2.gz	UQKHXXIFTXJVDW-FDFHNCONSA-N	-1	0	453.325	5.353	40	0		JKABRM
Cc1ccc(C)c(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)c1	ZINC000102941061	569829621	/nfs/dbraw/zinc/82/96/21/569829621.db2.gz	KDVUAQJLFSKMCS-LBNVMWSVSA-N	-1	0	477.516	5.375	40	0		JKABRM
Cc1ccc(C)c(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)c1	ZINC000102941059	569829632	/nfs/dbraw/zinc/82/96/32/569829632.db2.gz	KDVUAQJLFSKMCS-NAKRPHOHSA-N	-1	0	477.516	5.375	40	0		JKABRM
CC(=O)c1cccc(Nc2nc(-c3sc([N-]S(=O)(=O)c4ccccc4)nc3C)cs2)c1	ZINC000040556495	569830244	/nfs/dbraw/zinc/83/02/44/569830244.db2.gz	STLJANLNALCLCI-UHFFFAOYSA-N	-1	0	470.601	5.322	40	0		JKABRM
Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1-c1csc(NC(=O)c2ccccc2)n1	ZINC000040556519	569830268	/nfs/dbraw/zinc/83/02/68/569830268.db2.gz	KXJILDMPXSORJP-UHFFFAOYSA-N	-1	0	491.019	5.282	40	0		JKABRM
O=C(Nc1cccc(Cl)c1)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21	ZINC000102968381	569830296	/nfs/dbraw/zinc/83/02/96/569830296.db2.gz	WWCNKUDKBYRCCD-JYFHCDHNSA-N	-1	0	483.907	5.412	40	0		JKABRM
Cc1nc(Nc2ccccc2Cl)sc1C([O-])=CC(=O)C(=O)Nc1c(Cl)cccc1Cl	ZINC000102977589	569830376	/nfs/dbraw/zinc/83/03/76/569830376.db2.gz	FOEIRCFSFRBNNM-UHFFFAOYSA-N	-1	0	482.776	5.936	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(C(=O)[O-])ccc2OCC)nn1CCc1ccccc1	ZINC000103298810	569834389	/nfs/dbraw/zinc/83/43/89/569834389.db2.gz	JIIPCZHWVCBCKP-UHFFFAOYSA-N	-1	0	456.542	5.955	40	0		JKABRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(Cc2ccccc2)n1	ZINC000103298766	569834391	/nfs/dbraw/zinc/83/43/91/569834391.db2.gz	BFWCVJRNAIOAQV-UHFFFAOYSA-N	-1	0	458.514	5.380	40	0		JKABRM
COc1ccc(CCC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1	ZINC000103298783	569834480	/nfs/dbraw/zinc/83/44/80/569834480.db2.gz	QMSZOHSMJJODCE-UHFFFAOYSA-N	-1	0	486.568	5.503	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)/C(=C/c1ccccc1)c1ccccc1	ZINC000040867370	569834771	/nfs/dbraw/zinc/83/47/71/569834771.db2.gz	AIFDYMOJFWZMLR-LYBHJNIJSA-N	-1	0	455.539	5.062	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000045789087	569840119	/nfs/dbraw/zinc/84/01/19/569840119.db2.gz	MDZKJHQSJHYOHJ-KLKKWPENSA-N	-1	0	472.710	6.204	40	0	in-vitro	JKABRM
O=C([O-])c1cc(-c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)nc2ccc(Br)cc21	ZINC000104827245	569846557	/nfs/dbraw/zinc/84/65/57/569846557.db2.gz	SXNUJILKPSCKAW-CALCHBBNSA-N	-1	0	479.330	5.042	40	0		JKABRM
Cn1c(=O)c(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000104827678	569846575	/nfs/dbraw/zinc/84/65/75/569846575.db2.gz	SQZWVPPABKBCTR-HXUWFJFHSA-N	-1	0	467.352	5.977	40	0		JKABRM
Cn1c(=O)c(C(=O)C[C@H](c2ccco2)N(c2ccccc2)c2ccccc2)c([O-])c2ccccc21	ZINC000104827712	569846586	/nfs/dbraw/zinc/84/65/86/569846586.db2.gz	AFIBCUXGJXQIQU-XMMPIXPASA-N	-1	0	464.521	5.990	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@H]13	ZINC000105366192	569852916	/nfs/dbraw/zinc/85/29/16/569852916.db2.gz	FYZFYVOGEUZQNZ-UFKBGXFVSA-N	-1	0	491.628	5.407	40	0		JKABRM
O=C([O-])CCC(=O)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1	ZINC000105592162	569853217	/nfs/dbraw/zinc/85/32/17/569853217.db2.gz	LLZZKDDEAGYORC-WTNMVAAHSA-N	-1	0	457.357	5.981	40	0		JKABRM
Cc1cccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c1	ZINC000106111300	569853732	/nfs/dbraw/zinc/85/37/32/569853732.db2.gz	QSRDFGPHAWQYOA-FMCGGJTJSA-N	-1	0	472.522	5.526	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)cc(Br)c2[O-])C(=O)N1Cc1ccccc1	ZINC000106681986	569854523	/nfs/dbraw/zinc/85/45/23/569854523.db2.gz	TYBVCHFQTFHBHU-AUWJEWJLSA-N	-1	0	469.154	5.154	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)o1	ZINC000106718310	569855053	/nfs/dbraw/zinc/85/50/53/569855053.db2.gz	IUMQHRDORJUGAZ-OYKKKHCWSA-N	-1	0	469.518	6.343	40	0		JKABRM
O=C1S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000106725099	569855174	/nfs/dbraw/zinc/85/51/74/569855174.db2.gz	ANLBZXMXPFNHCY-AUWJEWJLSA-N	-1	0	459.148	5.698	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1	ZINC000106734548	569855304	/nfs/dbraw/zinc/85/53/04/569855304.db2.gz	JOEUNVBKIGHKMQ-JMIUGGIZSA-N	-1	0	471.893	5.982	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1	ZINC000106737663	569855315	/nfs/dbraw/zinc/85/53/15/569855315.db2.gz	SRBMFIWJEKCHSB-ZBKNUEDVSA-N	-1	0	483.885	5.263	40	0		JKABRM
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000107555385	569856515	/nfs/dbraw/zinc/85/65/15/569856515.db2.gz	ZHJGQNAWQKFMNS-JAIQZWGSSA-N	-1	0	452.919	5.687	40	0		JKABRM
COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1OC	ZINC000107659458	569856930	/nfs/dbraw/zinc/85/69/30/569856930.db2.gz	FJCBKTZVRJAULG-UHFFFAOYSA-N	-1	0	474.966	5.027	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000107898858	569857844	/nfs/dbraw/zinc/85/78/44/569857844.db2.gz	HFCBUKUKYIMJTP-UHFFFAOYSA-N	-1	0	455.344	5.042	40	0		JKABRM
Cc1sc(-c2ccc(C(F)(F)F)c(F)c2)nc1CSc1ccc(OCC(=O)[O-])c(C)c1	ZINC000108646655	569859584	/nfs/dbraw/zinc/85/95/84/569859584.db2.gz	MDFXZJNBOYYSLS-UHFFFAOYSA-N	-1	0	471.497	6.341	40	0		JKABRM
Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C	ZINC000108989461	569860214	/nfs/dbraw/zinc/86/02/14/569860214.db2.gz	WBNSYNRXLAXSOZ-UHFFFAOYSA-N	-1	0	478.492	5.141	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)CC[C@@H]12	ZINC000118926488	569863749	/nfs/dbraw/zinc/86/37/49/569863749.db2.gz	FWTXKFKWESMCHS-OPIMEYCVSA-N	-1	0	476.654	5.620	40	0		JKABRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](c5c([O-])[nH]c(=O)[nH]c5=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118928976	569863876	/nfs/dbraw/zinc/86/38/76/569863876.db2.gz	OAAAZVHOXPGMEK-HDXQKZCMSA-N	-1	0	496.736	6.626	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C	ZINC000123351223	569864367	/nfs/dbraw/zinc/86/43/67/569864367.db2.gz	UUJIBKBLRCGCFZ-OELUIJPVSA-N	-1	0	496.688	6.343	40	0		JKABRM
O=C([O-])c1ccc(COc2c(Cl)cc(/C=c3\sc4nc5ccccc5n4c3=O)cc2Cl)cc1	ZINC000139608794	569867320	/nfs/dbraw/zinc/86/73/20/569867320.db2.gz	YMHFUFKITNKJFH-JAIQZWGSSA-N	-1	0	497.359	5.041	40	0		JKABRM
CC(=O)c1ccc(NC(=O)[C@H](Sc2ccc(NC(=O)C=C(C)C(=O)[O-])cc2)c2ccccc2)cc1	ZINC000211512563	569876170	/nfs/dbraw/zinc/87/61/70/569876170.db2.gz	WHWMSQZBESMOFH-YFDWJFFGSA-N	-1	0	488.565	5.331	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1)C(=O)[O-]	ZINC000211519459	569876206	/nfs/dbraw/zinc/87/62/06/569876206.db2.gz	ZOXFDZCMXWGAHW-ZAGXWJKOSA-N	-1	0	472.566	5.079	40	0		JKABRM
O=C1S/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)N1Cc1ccc(Cl)cc1	ZINC000214149233	569876384	/nfs/dbraw/zinc/87/63/84/569876384.db2.gz	BVYTZTJIARLDMC-MKMNVTDBSA-N	-1	0	459.148	5.698	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000214705945	569876943	/nfs/dbraw/zinc/87/69/43/569876943.db2.gz	NKUUVRINLRQZCD-GIJQJNRQSA-N	-1	0	482.341	5.092	40	0		JKABRM
Cc1ccc([C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c2ccccc2)cc1	ZINC000216255127	569878008	/nfs/dbraw/zinc/87/80/08/569878008.db2.gz	ORLBIDFUGLPOEV-XMMPIXPASA-N	-1	0	462.596	5.377	40	0		JKABRM
O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000216262336	569878099	/nfs/dbraw/zinc/87/80/99/569878099.db2.gz	AMHJILMSRYIWRW-UHFFFAOYSA-N	-1	0	482.414	5.061	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000216386156	569878622	/nfs/dbraw/zinc/87/86/22/569878622.db2.gz	KVIQUYHSPSQZLZ-UHFFFAOYSA-N	-1	0	475.035	6.122	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1)c1ccccc1	ZINC000216403259	569878689	/nfs/dbraw/zinc/87/86/89/569878689.db2.gz	RXADMUVWDCKBLU-OAQYLSRUSA-N	-1	0	456.995	5.639	40	0		JKABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SCc3ccccc3)cc2)n1	ZINC000216492819	569879118	/nfs/dbraw/zinc/87/91/18/569879118.db2.gz	QTBGAOROCQOWRS-UHFFFAOYSA-N	-1	0	490.610	5.130	40	0		JKABRM
COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c2ccccc12	ZINC000222594884	569886602	/nfs/dbraw/zinc/88/66/02/569886602.db2.gz	DDMYYGFNCQQHSN-UHFFFAOYSA-N	-1	0	496.972	5.187	40	0		JKABRM
COC(=O)c1cn(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c2ccccc12	ZINC000222594969	569886620	/nfs/dbraw/zinc/88/66/20/569886620.db2.gz	GYANNDZBMHERRI-UHFFFAOYSA-N	-1	0	496.972	5.187	40	0		JKABRM
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)N21	ZINC000222715732	569889396	/nfs/dbraw/zinc/88/93/96/569889396.db2.gz	QDKADQGGDWOSRE-SZFUDVHCSA-N	-1	0	453.951	5.673	40	0		JKABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SCc1ccc(Cl)cc1	ZINC000222759215	569890446	/nfs/dbraw/zinc/89/04/46/569890446.db2.gz	LVROWCDXPCVSGQ-UHFFFAOYSA-N	-1	0	454.400	6.095	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)c1C	ZINC000222771581	569890652	/nfs/dbraw/zinc/89/06/52/569890652.db2.gz	HDYPCTXONKGFQU-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
O=C(NCc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000222771248	569890659	/nfs/dbraw/zinc/89/06/59/569890659.db2.gz	AJNAKYAEQBSNLH-UHFFFAOYSA-N	-1	0	450.947	5.224	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2Cl)c(C)c1	ZINC000222850333	569892637	/nfs/dbraw/zinc/89/26/37/569892637.db2.gz	VLNGQJDAPJPTIP-UHFFFAOYSA-N	-1	0	479.001	5.841	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c(C)c1	ZINC000222934729	569894881	/nfs/dbraw/zinc/89/48/81/569894881.db2.gz	OAGHNQJBOAUGNZ-LJQANCHMSA-N	-1	0	497.060	6.127	40	0		JKABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)s2)c1	ZINC000222986851	569896265	/nfs/dbraw/zinc/89/62/65/569896265.db2.gz	WMHIPDIBQJGWPN-UHFFFAOYSA-N	-1	0	482.612	5.051	40	0		JKABRM
COc1ccc(C(=O)N2CCc3ccc([N-]S(=O)(=O)c4cc(Cl)ccc4Cl)cc32)cc1	ZINC000222991277	569896425	/nfs/dbraw/zinc/89/64/25/569896425.db2.gz	YGYZDECGJSAIKR-UHFFFAOYSA-N	-1	0	477.369	5.006	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCCC2	ZINC000223056694	569897971	/nfs/dbraw/zinc/89/79/71/569897971.db2.gz	CEHFIGUHRBBQFL-DEOSSOPVSA-N	-1	0	483.033	5.901	40	0		JKABRM
COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(cc1OC)CCCC2	ZINC000223059989	569898125	/nfs/dbraw/zinc/89/81/25/569898125.db2.gz	YTIXRJOHAUAWFX-UHFFFAOYSA-N	-1	0	473.978	5.829	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)c1C	ZINC000223173943	569902023	/nfs/dbraw/zinc/90/20/23/569902023.db2.gz	KYUHTVWRNVPPHE-UHFFFAOYSA-N	-1	0	467.056	5.163	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c1C	ZINC000223183417	569902524	/nfs/dbraw/zinc/90/25/24/569902524.db2.gz	HLDZSOADLBCHQP-GOSISDBHSA-N	-1	0	483.033	5.737	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c1	ZINC000223183700	569902528	/nfs/dbraw/zinc/90/25/28/569902528.db2.gz	HNCOAULLBFFKIK-GOSISDBHSA-N	-1	0	483.033	5.737	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1Cl	ZINC000223182905	569902530	/nfs/dbraw/zinc/90/25/30/569902530.db2.gz	DDXOGOGVJMHTCS-KRWDZBQOSA-N	-1	0	469.006	5.429	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnc(SCc3ccccc3)s2)cc1	ZINC000223188023	569902711	/nfs/dbraw/zinc/90/27/11/569902711.db2.gz	QWJXSEVRXIBCLW-UHFFFAOYSA-N	-1	0	496.639	5.192	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2Cl)c(C)c1	ZINC000223255652	569905082	/nfs/dbraw/zinc/90/50/82/569905082.db2.gz	GQYSZKRSBVPUOE-UHFFFAOYSA-N	-1	0	497.067	5.362	40	0		JKABRM
COc1cc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C(C)C	ZINC000223327254	569907618	/nfs/dbraw/zinc/90/76/18/569907618.db2.gz	KALWIBGULGUJMS-QGZVFWFLSA-N	-1	0	472.632	5.480	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1	ZINC000223364865	569908906	/nfs/dbraw/zinc/90/89/06/569908906.db2.gz	XEMLLRTUVGQCEN-VXKWHMMOSA-N	-1	0	479.945	5.459	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223364434	569908909	/nfs/dbraw/zinc/90/89/09/569908909.db2.gz	XFZQQBVINPOQJR-PKTZIBPZSA-N	-1	0	459.527	5.114	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2Cl)c(C)c1	ZINC000223396725	569909799	/nfs/dbraw/zinc/90/97/99/569909799.db2.gz	IZQBQADHITVBQU-UHFFFAOYSA-N	-1	0	471.022	5.509	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223400277	569909906	/nfs/dbraw/zinc/90/99/06/569909906.db2.gz	FLSAJSUZLPPHLF-ZEQRLZLVSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223402983	569910046	/nfs/dbraw/zinc/91/00/46/569910046.db2.gz	CMXOGAFNGJOHIS-ZEQRLZLVSA-N	-1	0	489.984	5.866	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1	ZINC000223515858	569914282	/nfs/dbraw/zinc/91/42/82/569914282.db2.gz	MTVBWSQMEQYTGE-GOTSBHOMSA-N	-1	0	490.972	5.261	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2Cl)cc1C	ZINC000223516631	569914299	/nfs/dbraw/zinc/91/42/99/569914299.db2.gz	BYBZRELEBXYLCP-UHFFFAOYSA-N	-1	0	471.022	5.509	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc4ccccc43)ccc2Cl)c1	ZINC000223529386	569914717	/nfs/dbraw/zinc/91/47/17/569914717.db2.gz	BGESILBZUNZYJR-UHFFFAOYSA-N	-1	0	495.000	5.411	40	0		JKABRM
CCCCc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	ZINC000223563078	569916184	/nfs/dbraw/zinc/91/61/84/569916184.db2.gz	YZPZYMWCELMXGK-UHFFFAOYSA-N	-1	0	485.418	5.241	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1	ZINC000223646740	569918856	/nfs/dbraw/zinc/91/88/56/569918856.db2.gz	LUMZIEXNOPPSHK-UHFFFAOYSA-N	-1	0	454.331	5.604	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223775850	569922934	/nfs/dbraw/zinc/92/29/34/569922934.db2.gz	OFABNWCACUCIRW-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223778061	569923035	/nfs/dbraw/zinc/92/30/35/569923035.db2.gz	GULOVNWKMDEABQ-DQEYMECFSA-N	-1	0	485.565	5.534	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)c1	ZINC000223793951	569923569	/nfs/dbraw/zinc/92/35/69/569923569.db2.gz	QZCCHLFVAGHJKE-UHFFFAOYSA-N	-1	0	482.911	5.398	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223833545	569924653	/nfs/dbraw/zinc/92/46/53/569924653.db2.gz	YYAQWICJVHWVIM-RPBOFIJWSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223836210	569924739	/nfs/dbraw/zinc/92/47/39/569924739.db2.gz	ASAKIFZLENFBMP-UIOOFZCWSA-N	-1	0	499.592	5.924	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223876629	569925950	/nfs/dbraw/zinc/92/59/50/569925950.db2.gz	KKAFOMIFDYDCKJ-PKTZIBPZSA-N	-1	0	491.956	5.576	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223912008	569927008	/nfs/dbraw/zinc/92/70/08/569927008.db2.gz	ODGZSJALSZDASS-JWQCQUIFSA-N	-1	0	484.581	5.283	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223912476	569927019	/nfs/dbraw/zinc/92/70/19/569927019.db2.gz	MZKFKHFGFWBNKJ-LOSJGSFVSA-N	-1	0	484.581	5.283	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223911956	569927056	/nfs/dbraw/zinc/92/70/56/569927056.db2.gz	ODGZSJALSZDASS-LOSJGSFVSA-N	-1	0	484.581	5.283	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1Cl	ZINC000223957045	569928414	/nfs/dbraw/zinc/92/84/14/569928414.db2.gz	SJEMOGNFBCITOB-UHFFFAOYSA-N	-1	0	490.968	6.601	40	0		JKABRM
CCCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000223962187	569928549	/nfs/dbraw/zinc/92/85/49/569928549.db2.gz	OZHOXEAYLGGYKS-UHFFFAOYSA-N	-1	0	487.021	5.211	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2Cl)cc1	ZINC000223961778	569928555	/nfs/dbraw/zinc/92/85/55/569928555.db2.gz	GSUKGRLEXVXRHR-UHFFFAOYSA-N	-1	0	492.000	5.687	40	0		JKABRM
COCc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1	ZINC000223966473	569928785	/nfs/dbraw/zinc/92/87/85/569928785.db2.gz	GCESLMPTAJJMFR-UHFFFAOYSA-N	-1	0	458.967	5.156	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2Cl)c1	ZINC000223968546	569928880	/nfs/dbraw/zinc/92/88/80/569928880.db2.gz	HZHPPJGAMJNMFD-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Cl)cc1C	ZINC000223970046	569928940	/nfs/dbraw/zinc/92/89/40/569928940.db2.gz	QASFGAAEPSMAGG-SFHVURJKSA-N	-1	0	456.995	5.291	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cc(C)cc(C)c3)ccc2Cl)c1	ZINC000224074130	569932484	/nfs/dbraw/zinc/93/24/84/569932484.db2.gz	ZKSSXQKWBKNOQI-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000224125087	569934001	/nfs/dbraw/zinc/93/40/01/569934001.db2.gz	OXNJTKFWJMVCQB-UHFFFAOYSA-N	-1	0	476.436	5.726	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(Cl)c3)ccc2Cl)c1	ZINC000224140796	569934296	/nfs/dbraw/zinc/93/42/96/569934296.db2.gz	NPYNRZQUHQEPPL-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2OC)ccc1Cl	ZINC000224183281	569935609	/nfs/dbraw/zinc/93/56/09/569935609.db2.gz	POBYYJUSDOQZJO-UHFFFAOYSA-N	-1	0	482.341	5.382	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1	ZINC000224184248	569935648	/nfs/dbraw/zinc/93/56/48/569935648.db2.gz	HVZWYEXLLYCFFJ-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1	ZINC000224184630	569935655	/nfs/dbraw/zinc/93/56/55/569935655.db2.gz	WJBBJIIDIOJIMS-PKTZIBPZSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224212651	569936710	/nfs/dbraw/zinc/93/67/10/569936710.db2.gz	CBWYSLQJWOFFEY-RPWUZVMVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224216107	569936819	/nfs/dbraw/zinc/93/68/19/569936819.db2.gz	JWWWJBOKVBSKBW-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224218047	569936919	/nfs/dbraw/zinc/93/69/19/569936919.db2.gz	GEWWBWYNAHLSNE-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1	ZINC000224218365	569936948	/nfs/dbraw/zinc/93/69/48/569936948.db2.gz	JEIHYDOGWZTWSN-ZEQRLZLVSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224245043	569937913	/nfs/dbraw/zinc/93/79/13/569937913.db2.gz	POXGRFWVULQABA-DNQXCXABSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224245104	569937938	/nfs/dbraw/zinc/93/79/38/569937938.db2.gz	SHDSKKUVVGNJIB-ZEQRLZLVSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224248769	569938059	/nfs/dbraw/zinc/93/80/59/569938059.db2.gz	LYMHQEJCYPRXSG-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1	ZINC000224251035	569938109	/nfs/dbraw/zinc/93/81/09/569938109.db2.gz	YCKGSOZFAGPQKZ-ZEQRLZLVSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1	ZINC000224251125	569938134	/nfs/dbraw/zinc/93/81/34/569938134.db2.gz	YCKGSOZFAGPQKZ-BJKOFHAPSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1C	ZINC000224278382	569938977	/nfs/dbraw/zinc/93/89/77/569938977.db2.gz	BYEGUTVEYCDRAN-JWQCQUIFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1C	ZINC000224278200	569939007	/nfs/dbraw/zinc/93/90/07/569939007.db2.gz	ZPVXISSJWIRZNA-JWQCQUIFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1C	ZINC000224281268	569939154	/nfs/dbraw/zinc/93/91/54/569939154.db2.gz	ORTHMYGOJQAWGE-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1C	ZINC000224281503	569939164	/nfs/dbraw/zinc/93/91/64/569939164.db2.gz	VIXCIRCDIGJQCG-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1C	ZINC000224281562	569939176	/nfs/dbraw/zinc/93/91/76/569939176.db2.gz	ASUAPGURKQTENI-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224313041	569940114	/nfs/dbraw/zinc/94/01/14/569940114.db2.gz	LSSCDCTVVOJINL-LOSJGSFVSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224316490	569940280	/nfs/dbraw/zinc/94/02/80/569940280.db2.gz	OLOOWYKSXSWFPW-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224318208	569940323	/nfs/dbraw/zinc/94/03/23/569940323.db2.gz	OICJUCCKNIMPQX-FTJBHMTQSA-N	-1	0	483.593	6.142	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224348712	569941467	/nfs/dbraw/zinc/94/14/67/569941467.db2.gz	HUPPAGTXZJRJLS-RPBOFIJWSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224348525	569941470	/nfs/dbraw/zinc/94/14/70/569941470.db2.gz	XLWHZCSIZRCFIM-RPBOFIJWSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224348865	569941476	/nfs/dbraw/zinc/94/14/76/569941476.db2.gz	WRYODMHMZBIFNE-DQEYMECFSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224348956	569941479	/nfs/dbraw/zinc/94/14/79/569941479.db2.gz	WRYODMHMZBIFNE-LOSJGSFVSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224348478	569941503	/nfs/dbraw/zinc/94/15/03/569941503.db2.gz	XLWHZCSIZRCFIM-DQEYMECFSA-N	-1	0	469.566	5.779	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224380813	569942595	/nfs/dbraw/zinc/94/25/95/569942595.db2.gz	OSDZHBVUQXTWMS-IZZNHLLZSA-N	-1	0	483.593	6.340	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224381182	569942659	/nfs/dbraw/zinc/94/26/59/569942659.db2.gz	IVFAJLYASFCRFF-FTJBHMTQSA-N	-1	0	483.593	6.340	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224412800	569943801	/nfs/dbraw/zinc/94/38/01/569943801.db2.gz	AVRPPCPQRIWLAJ-GOTSBHOMSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224412602	569943816	/nfs/dbraw/zinc/94/38/16/569943816.db2.gz	JKALKVLJJBNPSD-GOTSBHOMSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224412550	569943822	/nfs/dbraw/zinc/94/38/22/569943822.db2.gz	JKALKVLJJBNPSD-XZOQPEGZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224414750	569943922	/nfs/dbraw/zinc/94/39/22/569943922.db2.gz	WCZLNPHHQYTFHA-DHIUTWEWSA-N	-1	0	493.947	6.009	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224414839	569943927	/nfs/dbraw/zinc/94/39/27/569943927.db2.gz	WCZLNPHHQYTFHA-XZOQPEGZSA-N	-1	0	493.947	6.009	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224447942	569944774	/nfs/dbraw/zinc/94/47/74/569944774.db2.gz	OLXBGCCGDKDCJP-BJKOFHAPSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474311	569945519	/nfs/dbraw/zinc/94/55/19/569945519.db2.gz	UQQZUQCSWIAPNH-PKTZIBPZSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476914	569945679	/nfs/dbraw/zinc/94/56/79/569945679.db2.gz	OBCQHEIBMXVJAV-DHIUTWEWSA-N	-1	0	475.957	5.870	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1	ZINC000224477299	569945696	/nfs/dbraw/zinc/94/56/96/569945696.db2.gz	VTKXTDVJTHNEFS-PKTZIBPZSA-N	-1	0	475.957	5.870	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224546048	569947939	/nfs/dbraw/zinc/94/79/39/569947939.db2.gz	JZXUIWIQNRSCIR-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000224581857	569949447	/nfs/dbraw/zinc/94/94/47/569949447.db2.gz	CSMWFAJELIWZFG-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224619928	569951115	/nfs/dbraw/zinc/95/11/15/569951115.db2.gz	ITTHWWWZMNWDEM-DHIUTWEWSA-N	-1	0	491.956	5.576	40	0		JKABRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1SCc1ccc(Cl)cc1	ZINC000224795299	569957957	/nfs/dbraw/zinc/95/79/57/569957957.db2.gz	JRHVLEYZCRGDOC-UHFFFAOYSA-N	-1	0	498.851	6.204	40	0		JKABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)s2)cc1	ZINC000224802210	569958245	/nfs/dbraw/zinc/95/82/45/569958245.db2.gz	GYLBENPDEXMLMY-UHFFFAOYSA-N	-1	0	482.612	5.051	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224878954	569961487	/nfs/dbraw/zinc/96/14/87/569961487.db2.gz	ZMJXCLFNFYNEBW-GOTSBHOMSA-N	-1	0	490.972	5.107	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1	ZINC000224881594	569961673	/nfs/dbraw/zinc/96/16/73/569961673.db2.gz	FONLLKZOHIIMFS-DHIUTWEWSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)ccc1F	ZINC000224908022	569962850	/nfs/dbraw/zinc/96/28/50/569962850.db2.gz	REEFFPTYEVANOC-BJKOFHAPSA-N	-1	0	472.545	5.195	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1F	ZINC000224910917	569963012	/nfs/dbraw/zinc/96/30/12/569963012.db2.gz	HDFMPWMLAILVIJ-RPWUZVMVSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1F	ZINC000224911221	569963072	/nfs/dbraw/zinc/96/30/72/569963072.db2.gz	KKCNNLJYCMMWBH-ZEQRLZLVSA-N	-1	0	473.529	5.664	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1	ZINC000224951056	569964625	/nfs/dbraw/zinc/96/46/25/569964625.db2.gz	WQGQBFJFJCJVHL-UHFFFAOYSA-N	-1	0	498.782	5.713	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)c1C	ZINC000224954635	569964821	/nfs/dbraw/zinc/96/48/21/569964821.db2.gz	ANNHPYJKFLQEID-UHFFFAOYSA-N	-1	0	498.048	6.000	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)c1	ZINC000224954509	569964863	/nfs/dbraw/zinc/96/48/63/569964863.db2.gz	VALJYWOFZHLXJP-UHFFFAOYSA-N	-1	0	484.021	5.692	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1)N1CCCCCC1	ZINC000408594371	569965491	/nfs/dbraw/zinc/96/54/91/569965491.db2.gz	OUHHUNDMOOXHQP-UHFFFAOYSA-N	-1	0	475.920	5.568	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)N1CCCC1	ZINC000408601756	569969253	/nfs/dbraw/zinc/96/92/53/569969253.db2.gz	HDAGJQYSJDUITF-UHFFFAOYSA-N	-1	0	452.601	5.183	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1	ZINC000225029401	569970280	/nfs/dbraw/zinc/97/02/80/569970280.db2.gz	LABLZNQULWHTAB-VXKWHMMOSA-N	-1	0	467.978	5.608	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccccc1	ZINC000408606228	569971087	/nfs/dbraw/zinc/97/10/87/569971087.db2.gz	HSJSAMWFMWYUTR-UHFFFAOYSA-N	-1	0	456.336	5.737	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2Cl)c1	ZINC000408606558	569971283	/nfs/dbraw/zinc/97/12/83/569971283.db2.gz	KRWUPSGWNSPIRB-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000408607249	569971476	/nfs/dbraw/zinc/97/14/76/569971476.db2.gz	JIDZCSLCDYBSOT-UHFFFAOYSA-N	-1	0	480.775	6.935	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCC(=O)Nc1cccc(C)c1	ZINC000408608340	569971736	/nfs/dbraw/zinc/97/17/36/569971736.db2.gz	LEYNBRJJFJNTTL-UHFFFAOYSA-N	-1	0	499.361	5.094	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1	ZINC000225055920	569972283	/nfs/dbraw/zinc/97/22/83/569972283.db2.gz	PYSVAAUGTUHAOT-FTJBHMTQSA-N	-1	0	498.608	5.515	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408610094	569972310	/nfs/dbraw/zinc/97/23/10/569972310.db2.gz	NPIYGMMYAKEODS-UHFFFAOYSA-N	-1	0	489.355	5.638	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225056166	569972400	/nfs/dbraw/zinc/97/24/00/569972400.db2.gz	LFULGFIHMPQTIP-UIOOFZCWSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1	ZINC000408611046	569972608	/nfs/dbraw/zinc/97/26/08/569972608.db2.gz	PTZJOHAGRHLIQK-UHFFFAOYSA-N	-1	0	452.337	7.036	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	ZINC000408612537	569973101	/nfs/dbraw/zinc/97/31/01/569973101.db2.gz	SDSDRKONCRBLHP-UHFFFAOYSA-N	-1	0	474.326	5.876	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(OC)c(C)c1	ZINC000225072062	569973427	/nfs/dbraw/zinc/97/34/27/569973427.db2.gz	HIDLJWUMVTZCAN-NRFANRHFSA-N	-1	0	487.021	5.647	40	0		JKABRM
COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000225076260	569973468	/nfs/dbraw/zinc/97/34/68/569973468.db2.gz	CVABQPYRSPKEOU-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000225076297	569973505	/nfs/dbraw/zinc/97/35/05/569973505.db2.gz	CVABQPYRSPKEOU-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000408614060	569973607	/nfs/dbraw/zinc/97/36/07/569973607.db2.gz	XWGDEWFNEKCLTE-UHFFFAOYSA-N	-1	0	499.361	5.176	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	ZINC000408614128	569973713	/nfs/dbraw/zinc/97/37/13/569973713.db2.gz	YQMZGLMEQRPQJP-UHFFFAOYSA-N	-1	0	480.775	6.935	40	0		JKABRM
COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000225138335	569977298	/nfs/dbraw/zinc/97/72/98/569977298.db2.gz	UEYXQNATHPLBTR-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
O=S(=O)([N-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)s1	ZINC000408620072	569977607	/nfs/dbraw/zinc/97/76/07/569977607.db2.gz	MSZAFFKVOCNNSO-UHFFFAOYSA-N	-1	0	452.439	5.779	40	0		JKABRM
CCn1c2ccccc2c2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)ccc21	ZINC000408621906	569978540	/nfs/dbraw/zinc/97/85/40/569978540.db2.gz	QBNWUUSPWCMIHS-UHFFFAOYSA-N	-1	0	483.593	6.176	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc2Cl)c1	ZINC000408622997	569979107	/nfs/dbraw/zinc/97/91/07/569979107.db2.gz	CFFITPVNBFJESC-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)c1	ZINC000408626426	569980723	/nfs/dbraw/zinc/98/07/23/569980723.db2.gz	XDDXCCOTHDJGDL-UHFFFAOYSA-N	-1	0	459.011	5.148	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)ccc2Cl)cc1	ZINC000225183034	569980781	/nfs/dbraw/zinc/98/07/81/569980781.db2.gz	WZURVRVSRPDJRS-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408630513	569982310	/nfs/dbraw/zinc/98/23/10/569982310.db2.gz	AVRMIXYLDKTTGZ-PXNMLYILSA-N	-1	0	482.345	5.022	40	0		JKABRM
Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)CC2)c1C	ZINC000408630474	569982337	/nfs/dbraw/zinc/98/23/37/569982337.db2.gz	VEFTTZZVSRLYRH-UHFFFAOYSA-N	-1	0	498.048	5.028	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)[O-])o1	ZINC000408630568	569982376	/nfs/dbraw/zinc/98/23/76/569982376.db2.gz	BWZONYFHNMXZLZ-YVLHZVERSA-N	-1	0	451.331	5.736	40	0		JKABRM
CCc1nnc(S/C(=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408630792	569982489	/nfs/dbraw/zinc/98/24/89/569982489.db2.gz	CSQUAPVSPSONSU-NDENLUEZSA-N	-1	0	498.402	5.924	40	0		JKABRM
CCOc1ccc(Cl)cc1C=C(Sc1n[nH]c(-c2cc(Cl)ccc2OC)n1)C(=O)[O-]	ZINC000408630809	569982570	/nfs/dbraw/zinc/98/25/70/569982570.db2.gz	CVIUCGIWAXXFAE-MFOYZWKCSA-N	-1	0	466.346	5.404	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408631232	569982796	/nfs/dbraw/zinc/98/27/96/569982796.db2.gz	GPHAFLIBPMARGF-UNOMPAQXSA-N	-1	0	459.955	5.216	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(Br)s2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408631150	569982880	/nfs/dbraw/zinc/98/28/80/569982880.db2.gz	CIRUPNZTFHGTIC-GDNBJRDFSA-N	-1	0	496.408	5.024	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)[O-])o1	ZINC000408631489	569982945	/nfs/dbraw/zinc/98/29/45/569982945.db2.gz	FFBHQHLUQQBXSI-AQTBWJFISA-N	-1	0	475.954	5.590	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(OCC(C)C)cc3)C(=O)[O-])o2)c1	ZINC000408631462	569982946	/nfs/dbraw/zinc/98/29/46/569982946.db2.gz	DZLUFWCOZOBXJM-AWQFTUOYSA-N	-1	0	456.520	5.006	40	0		JKABRM
CCCc1nc(SC(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)[O-])n[nH]1	ZINC000408631438	569982953	/nfs/dbraw/zinc/98/29/53/569982953.db2.gz	JBMIYHQCGFPWIC-WQRHYEAKSA-N	-1	0	464.374	5.861	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408631603	569983092	/nfs/dbraw/zinc/98/30/92/569983092.db2.gz	ABLGHKBVHJISQL-QFEZKATASA-N	-1	0	475.566	6.558	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408631643	569983108	/nfs/dbraw/zinc/98/31/08/569983108.db2.gz	KWYYZOJCDGTFLW-NDENLUEZSA-N	-1	0	452.967	5.631	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1	ZINC000408631646	569983116	/nfs/dbraw/zinc/98/31/16/569983116.db2.gz	KXZNULSVTBGWMQ-UUASQNMZSA-N	-1	0	456.738	5.658	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408631720	569983224	/nfs/dbraw/zinc/98/32/24/569983224.db2.gz	BCUYXKAYCOARIF-XKZIYDEJSA-N	-1	0	466.946	6.022	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1OC(C)C	ZINC000408631689	569983228	/nfs/dbraw/zinc/98/32/28/569983228.db2.gz	ALRFLUNKIALXJX-UNOMPAQXSA-N	-1	0	460.939	5.794	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408631710	569983238	/nfs/dbraw/zinc/98/32/38/569983238.db2.gz	AWWRUAMTHIVKBM-QRVIBDJDSA-N	-1	0	459.958	6.437	40	0		JKABRM
CCc1nnc(S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408631790	569983242	/nfs/dbraw/zinc/98/32/42/569983242.db2.gz	LMLSUAOUUWSGBD-NDENLUEZSA-N	-1	0	453.951	5.815	40	0		JKABRM
CCn1c(S/C(=C/c2ccc(OCC(C)C)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408631872	569983345	/nfs/dbraw/zinc/98/33/45/569983345.db2.gz	GWZUVPKDKJHVEQ-SSDVNMTOSA-N	-1	0	483.590	5.235	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000408631863	569983377	/nfs/dbraw/zinc/98/33/77/569983377.db2.gz	MJNFZVHCZLKJGH-MOSHPQCFSA-N	-1	0	457.527	5.092	40	0		JKABRM
O=C([O-])C[C@@H](NC(=S)Nc1nccc(-c2cccs2)n1)c1ccc(Cl)cc1Cl	ZINC000225221241	569983416	/nfs/dbraw/zinc/98/34/16/569983416.db2.gz	JSAGMBGUTOYYBE-CQSZACIVSA-N	-1	0	453.376	5.014	40	0		JKABRM
Cc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])o1	ZINC000408632045	569983456	/nfs/dbraw/zinc/98/34/56/569983456.db2.gz	HMBIHXROHKVAOY-IUXPMGMMSA-N	-1	0	471.749	6.135	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632317	569983560	/nfs/dbraw/zinc/98/35/60/569983560.db2.gz	DFBIEBUEZWICKZ-ZDLGFXPLSA-N	-1	0	493.755	7.175	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408632247	569983579	/nfs/dbraw/zinc/98/35/79/569983579.db2.gz	IDCKFMHFTMBJOJ-PGMHBOJBSA-N	-1	0	498.605	5.173	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccc(Cl)c2Cl)C(=O)[O-])o1	ZINC000408632249	569983591	/nfs/dbraw/zinc/98/35/91/569983591.db2.gz	IEOVDEYNCZCSFH-AUWJEWJLSA-N	-1	0	457.722	5.923	40	0		JKABRM
CC(C)Oc1ccc2ccccc2c1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000408632349	569983596	/nfs/dbraw/zinc/98/35/96/569983596.db2.gz	DQZHUIAXKLIQTM-BKUYFWCQSA-N	-1	0	466.946	6.548	40	0		JKABRM
CSc1ccc([C@H](CC(=O)[O-])NC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)cc1	ZINC000225222968	569983634	/nfs/dbraw/zinc/98/36/34/569983634.db2.gz	PXIAKWOGXVBEIV-IBGZPJMESA-N	-1	0	490.075	6.111	40	0		JKABRM
O=C([O-])C[C@@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000225223035	569983647	/nfs/dbraw/zinc/98/36/47/569983647.db2.gz	FVWWLJVEAWXPBB-GOSISDBHSA-N	-1	0	478.426	6.042	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccc(Cl)c2Cl)C(=O)[O-])n[nH]1	ZINC000408632456	569983710	/nfs/dbraw/zinc/98/37/10/569983710.db2.gz	QFGKMLGDTRIUHQ-AUWJEWJLSA-N	-1	0	456.738	5.658	40	0		JKABRM
O=C([O-])C(=Cc1cn(Cc2ccccc2)c2ccccc12)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632373	569983713	/nfs/dbraw/zinc/98/37/13/569983713.db2.gz	FCBQQJPRUZDJKU-UCQKPKSFSA-N	-1	0	486.984	6.346	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)[O-])o1	ZINC000408632495	569983770	/nfs/dbraw/zinc/98/37/70/569983770.db2.gz	QNHHKEXQLVZZMG-MFOYZWKCSA-N	-1	0	451.331	5.736	40	0		JKABRM
Cc1nnc(S/C(=C\c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])o1	ZINC000408632459	569983779	/nfs/dbraw/zinc/98/37/79/569983779.db2.gz	QFUJDRSEBBBMAJ-GRSHGNNSSA-N	-1	0	470.348	5.361	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc(Cl)c1OC	ZINC000408632403	569983782	/nfs/dbraw/zinc/98/37/82/569983782.db2.gz	FOSGJUWFHIDNFO-PDGQHHTCSA-N	-1	0	494.400	5.897	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(Sc2nc3ccccc3s2)o1)Sc1nc2ccccc2o1	ZINC000408632619	569983899	/nfs/dbraw/zinc/98/38/99/569983899.db2.gz	FUKFLERBYVXRCK-BOPFTXTBSA-N	-1	0	452.538	6.400	40	0		JKABRM
CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](CC(=O)[O-])c3cccc(Cl)c3)n2)cc1	ZINC000225227040	569984010	/nfs/dbraw/zinc/98/40/10/569984010.db2.gz	CWYYGNSTXDRYJN-IBGZPJMESA-N	-1	0	485.997	5.083	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)[O-])o1	ZINC000408632899	569984142	/nfs/dbraw/zinc/98/41/42/569984142.db2.gz	UUQHZOQAZUWWPQ-YVLHZVERSA-N	-1	0	495.782	5.845	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)[O-])o1	ZINC000408633016	569984228	/nfs/dbraw/zinc/98/42/28/569984228.db2.gz	KZNLWMVBDGFZFR-JMIUGGIZSA-N	-1	0	469.950	6.152	40	0		JKABRM
CCc1nc(SC(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408633126	569984304	/nfs/dbraw/zinc/98/43/04/569984304.db2.gz	WBSXAQQLWHBJSD-UCQKPKSFSA-N	-1	0	454.555	5.741	40	0		JKABRM
CCc1nc2ccc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(Cl)cc3Cl)cc2s1	ZINC000225230004	569984370	/nfs/dbraw/zinc/98/43/70/569984370.db2.gz	FRNCUBLJGYSOAV-OAHLLOKOSA-N	-1	0	454.404	5.668	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000408633305	569984392	/nfs/dbraw/zinc/98/43/92/569984392.db2.gz	JUUVIAHACNOGJH-XKZIYDEJSA-N	-1	0	451.475	5.772	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])o1	ZINC000408633277	569984400	/nfs/dbraw/zinc/98/44/00/569984400.db2.gz	XLNSRUGXENAXMD-IUXPMGMMSA-N	-1	0	485.776	6.389	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408633379	569984455	/nfs/dbraw/zinc/98/44/55/569984455.db2.gz	KFRKFJZTIFDSRK-QFEZKATASA-N	-1	0	474.582	6.294	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])cc1OCC	ZINC000408633445	569984504	/nfs/dbraw/zinc/98/45/04/569984504.db2.gz	MYRSHYAZCMHXOE-ZHZULCJRSA-N	-1	0	473.982	5.634	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1	ZINC000408633417	569984514	/nfs/dbraw/zinc/98/45/14/569984514.db2.gz	KKBZGMJDUJBQHQ-OYKKKHCWSA-N	-1	0	473.985	6.746	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408633549	569984606	/nfs/dbraw/zinc/98/46/06/569984606.db2.gz	ZZCBPPWHMYQDOY-YVLHZVERSA-N	-1	0	478.343	5.066	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])n[nH]1	ZINC000408633473	569984614	/nfs/dbraw/zinc/98/46/14/569984614.db2.gz	YVKAWXGKDZMUBC-RIYZIHGNSA-N	-1	0	499.184	5.370	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408633634	569984650	/nfs/dbraw/zinc/98/46/50/569984650.db2.gz	LBXNNAJWECQYNN-XKZIYDEJSA-N	-1	0	466.946	6.022	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(C(C)C)cc2)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408633692	569984700	/nfs/dbraw/zinc/98/47/00/569984700.db2.gz	OOMZASRXWYJSAN-NHDPSOOVSA-N	-1	0	453.564	5.323	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)Sc1nc2ccccc2[nH]1	ZINC000408633613	569984709	/nfs/dbraw/zinc/98/47/09/569984709.db2.gz	KVLVFQZOOLPPHL-NHDPSOOVSA-N	-1	0	471.365	6.667	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])c2ccccc2n1Cc1ccc(F)cc1	ZINC000408633656	569984725	/nfs/dbraw/zinc/98/47/25/569984725.db2.gz	LHRBWBIHERDSLZ-OYKKKHCWSA-N	-1	0	457.530	6.231	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408633834	569984789	/nfs/dbraw/zinc/98/47/89/569984789.db2.gz	MIEJLIGAANETPF-QRVIBDJDSA-N	-1	0	459.958	6.437	40	0		JKABRM
CCOc1ccc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])c2ccccc12	ZINC000408633966	569984819	/nfs/dbraw/zinc/98/48/19/569984819.db2.gz	QLEPTIXYNRSNEN-XKZIYDEJSA-N	-1	0	477.542	5.259	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408633913	569984830	/nfs/dbraw/zinc/98/48/30/569984830.db2.gz	NIJMTOPCJSPMAS-FMCGGJTJSA-N	-1	0	494.403	7.091	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(N3CCCCCC3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634040	569984931	/nfs/dbraw/zinc/98/49/31/569984931.db2.gz	RHPJRSBFVCFAQJ-CYVLTUHYSA-N	-1	0	472.998	5.810	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(OC(C)C)c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634020	569984933	/nfs/dbraw/zinc/98/49/33/569984933.db2.gz	RBJZJTHJUAGHEF-HAHDFKILSA-N	-1	0	494.016	6.777	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)[O-])o2)c1	ZINC000408634173	569985072	/nfs/dbraw/zinc/98/50/72/569985072.db2.gz	RSALRQIFNGHZDO-NHDPSOOVSA-N	-1	0	470.547	5.412	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])o1	ZINC000408634140	569985076	/nfs/dbraw/zinc/98/50/76/569985076.db2.gz	RLFBHYHIBZPLFC-ODLFYWEKSA-N	-1	0	489.336	6.530	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Sc1nc2ccccc2[nH]1	ZINC000408634550	569985128	/nfs/dbraw/zinc/98/51/28/569985128.db2.gz	RKFIUFSTJQPMLM-MTJSOVHGSA-N	-1	0	471.365	6.667	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)c(Sc2ccccc2)o1)Sc1nc2ccccc2[nH]1	ZINC000408634427	569985178	/nfs/dbraw/zinc/98/51/78/569985178.db2.gz	RBIMMULJMBXDOR-BOPFTXTBSA-N	-1	0	473.373	6.287	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408634779	569985317	/nfs/dbraw/zinc/98/53/17/569985317.db2.gz	ULFKXNFSVXGXHU-UCQKPKSFSA-N	-1	0	481.957	6.677	40	0		JKABRM
O=C([O-])/C(=C/c1cccc(OCc2ccccc2Cl)c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634968	569985449	/nfs/dbraw/zinc/98/54/49/569985449.db2.gz	VYDIZTNKJPAFKP-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
O=C([O-])/C(=C/c1c2ccccc2[nH]c1-c1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635036	569985501	/nfs/dbraw/zinc/98/55/01/569985501.db2.gz	XAUSQFIPUQTGGP-STZFKDTASA-N	-1	0	473.941	6.756	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc(Cl)c1OCc1ccccc1	ZINC000408635208	569985511	/nfs/dbraw/zinc/98/55/11/569985511.db2.gz	YDNZMLXIRDKTLG-BKUYFWCQSA-N	-1	0	466.946	6.022	40	0		JKABRM
COc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br	ZINC000408634985	569985517	/nfs/dbraw/zinc/98/55/17/569985517.db2.gz	WCQNNMOVPJMFPE-DHDCSXOGSA-N	-1	0	467.728	5.379	40	0		JKABRM
O=C([O-])/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21)Sc1nc2ccccc2o1	ZINC000408635157	569985525	/nfs/dbraw/zinc/98/55/25/569985525.db2.gz	XKCBMWOVVYISAT-MYYYXRDXSA-N	-1	0	487.964	7.431	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OC(C)C)c4ccccc34)C(=O)[O-])o2)c1	ZINC000408635062	569985532	/nfs/dbraw/zinc/98/55/32/569985532.db2.gz	YKUBRKLVGNRZLX-QRVIBDJDSA-N	-1	0	492.553	5.912	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635037	569985538	/nfs/dbraw/zinc/98/55/38/569985538.db2.gz	XAYRSCIUMLBKJC-WQRHYEAKSA-N	-1	0	492.862	6.887	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4cccc(Cl)c4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408635068	569985592	/nfs/dbraw/zinc/98/55/92/569985592.db2.gz	YMCFXVLKCMCPJE-NDENLUEZSA-N	-1	0	483.933	5.620	40	0		JKABRM
O=C([O-])C(=Cc1ccc(OCc2ccccc2)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408635264	569985655	/nfs/dbraw/zinc/98/56/55/569985655.db2.gz	YSOHYSYDPGBEDL-STZFKDTASA-N	-1	0	463.946	5.922	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Br)ccc1O)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635322	569985685	/nfs/dbraw/zinc/98/56/85/569985685.db2.gz	ZGFHJYHLFOJCNG-ZSOIEALJSA-N	-1	0	453.701	5.076	40	0		JKABRM
COC(=O)c1cc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)[O-])o2)ccc1Cl	ZINC000408635225	569985708	/nfs/dbraw/zinc/98/57/08/569985708.db2.gz	YMFHFQQWHRLDHM-ODLFYWEKSA-N	-1	0	454.891	5.481	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCCCC1	ZINC000408635554	569985901	/nfs/dbraw/zinc/98/59/01/569985901.db2.gz	DPGASENVDYPGOS-UHFFFAOYSA-N	-1	0	460.905	5.094	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)s1	ZINC000225275179	569987592	/nfs/dbraw/zinc/98/75/92/569987592.db2.gz	OQUQEVQRKZQLCT-UHFFFAOYSA-N	-1	0	497.067	5.364	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2Cl)cc1	ZINC000225329335	569990670	/nfs/dbraw/zinc/99/06/70/569990670.db2.gz	PEPXCLAWYUOXBV-UHFFFAOYSA-N	-1	0	484.990	5.220	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000225352419	569992393	/nfs/dbraw/zinc/99/23/93/569992393.db2.gz	MZSWSCIHXGGHBU-FTJBHMTQSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000225352494	569992412	/nfs/dbraw/zinc/99/24/12/569992412.db2.gz	MZSWSCIHXGGHBU-CLJLJLNGSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000225355009	569992556	/nfs/dbraw/zinc/99/25/56/569992556.db2.gz	ZBCUODQUFCSUNU-UIOOFZCWSA-N	-1	0	499.592	6.004	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000225355116	569992599	/nfs/dbraw/zinc/99/25/99/569992599.db2.gz	ZBCUODQUFCSUNU-CLJLJLNGSA-N	-1	0	499.592	6.004	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000225355318	569992622	/nfs/dbraw/zinc/99/26/22/569992622.db2.gz	FJAZNXKVSAHFQK-UIOOFZCWSA-N	-1	0	499.592	6.004	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c1	ZINC000225371811	569993610	/nfs/dbraw/zinc/99/36/10/569993610.db2.gz	VGMZRGRUAWQSGD-UHFFFAOYSA-N	-1	0	471.022	5.504	40	0		JKABRM
Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)s2)cc1	ZINC000225445778	569997211	/nfs/dbraw/zinc/99/72/11/569997211.db2.gz	LVCOFOUVKNBGPH-UHFFFAOYSA-N	-1	0	484.990	5.220	40	0		JKABRM
CCC1(CC)C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c2ccccc2O1	ZINC000225542298	570004199	/nfs/dbraw/zinc/00/41/99/570004199.db2.gz	AMWJBBZZEFQMRT-FQEVSTJZSA-N	-1	0	470.616	5.361	40	0		JKABRM
COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225589006	570008034	/nfs/dbraw/zinc/00/80/34/570008034.db2.gz	PWOUHRSFYLGPIH-NKFCYASASA-N	-1	0	467.587	5.318	40	0		JKABRM
Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)s2)cc1	ZINC000225652864	570012477	/nfs/dbraw/zinc/01/24/77/570012477.db2.gz	BGLWVMVPGYYREE-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3SCc3ccc(Cl)cc3)cc2sc1=O	ZINC000225680747	570014228	/nfs/dbraw/zinc/01/42/28/570014228.db2.gz	CWJQCPMMUUFREM-UHFFFAOYSA-N	-1	0	477.032	5.347	40	0		JKABRM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc2sc1=O	ZINC000225691472	570015053	/nfs/dbraw/zinc/01/50/53/570015053.db2.gz	ZPSUAPNHVYCPNP-UHFFFAOYSA-N	-1	0	460.964	5.329	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1NC(=O)C(C)C	ZINC000225699696	570015825	/nfs/dbraw/zinc/01/58/25/570015825.db2.gz	OBMDPKAXPUATNU-UHFFFAOYSA-N	-1	0	472.657	5.955	40	0		JKABRM
CC(C)n1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc2sc1=O	ZINC000225709043	570016429	/nfs/dbraw/zinc/01/64/29/570016429.db2.gz	GCCZLDVDZNKIES-UHFFFAOYSA-N	-1	0	474.991	5.890	40	0		JKABRM
O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2n1Cc1ccccc1	ZINC000225747438	570019714	/nfs/dbraw/zinc/01/97/14/570019714.db2.gz	JIQVNFZYMBJCCD-UHFFFAOYSA-N	-1	0	488.590	5.704	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225784657	570021465	/nfs/dbraw/zinc/02/14/65/570021465.db2.gz	MIMFEZKRHMWEJX-UHFFFAOYSA-N	-1	0	495.409	5.228	40	0		JKABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225787561	570021757	/nfs/dbraw/zinc/02/17/57/570021757.db2.gz	FKKLYXNZLRSXKN-UHFFFAOYSA-N	-1	0	477.032	5.287	40	0		JKABRM
CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225793914	570021976	/nfs/dbraw/zinc/02/19/76/570021976.db2.gz	JOFUEUDWPGHOEO-UHFFFAOYSA-N	-1	0	489.018	5.353	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1	ZINC000408705914	570024999	/nfs/dbraw/zinc/02/49/99/570024999.db2.gz	QGNRWIPCGSUNJH-UHFFFAOYSA-N	-1	0	479.602	5.047	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1C	ZINC000408749410	570033574	/nfs/dbraw/zinc/03/35/74/570033574.db2.gz	GOYTXEZIULPSID-RTBURBONSA-N	-1	0	497.642	5.473	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1	ZINC000408749696	570033693	/nfs/dbraw/zinc/03/36/93/570033693.db2.gz	IWIGLFAKJJWKJJ-IAGOWNOFSA-N	-1	0	489.018	5.754	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000408750886	570034183	/nfs/dbraw/zinc/03/41/83/570034183.db2.gz	SZJNTKVFVWCTSY-UHFFFAOYSA-N	-1	0	470.575	6.692	40	0		JKABRM
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2s1	ZINC000408750894	570034195	/nfs/dbraw/zinc/03/41/95/570034195.db2.gz	TUWOAHSWSRERFW-QZTJIDSGSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2s1	ZINC000408751082	570034287	/nfs/dbraw/zinc/03/42/87/570034287.db2.gz	WFECZEWSJMFMJC-IAGOWNOFSA-N	-1	0	483.615	5.165	40	0		JKABRM
COc1ccc(OC)c(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408751144	570034297	/nfs/dbraw/zinc/03/42/97/570034297.db2.gz	WYYMNGAUEMUUNK-ROUUACIJSA-N	-1	0	486.615	5.435	40	0		JKABRM
COc1ccc(OC)c(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408751145	570034322	/nfs/dbraw/zinc/03/43/22/570034322.db2.gz	WYYMNGAUEMUUNK-ZWKOTPCHSA-N	-1	0	486.615	5.435	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1	ZINC000408751099	570034325	/nfs/dbraw/zinc/03/43/25/570034325.db2.gz	WKTYMYRGOSOJMS-IAGOWNOFSA-N	-1	0	461.008	6.072	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000408751190	570034381	/nfs/dbraw/zinc/03/43/81/570034381.db2.gz	XNXFAYWNXQSGCF-LEWJYISDSA-N	-1	0	476.623	6.571	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3cccc4ccccc43)sc2c1	ZINC000408751191	570034387	/nfs/dbraw/zinc/03/43/87/570034387.db2.gz	XNXFAYWNXQSGCF-NHCUHLMSSA-N	-1	0	476.623	6.571	40	0		JKABRM
COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccc(Cl)c(Cl)c1	ZINC000226336621	570037678	/nfs/dbraw/zinc/03/76/78/570037678.db2.gz	IBITZSQOUXNHHW-HWKANZROSA-N	-1	0	479.097	5.283	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)S2)cc1	ZINC000408782285	570042053	/nfs/dbraw/zinc/04/20/53/570042053.db2.gz	GULMDRYUDXQMQV-OFCKJYIJSA-N	-1	0	460.555	5.126	40	0		JKABRM
COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408803585	570046564	/nfs/dbraw/zinc/04/65/64/570046564.db2.gz	QUTZUSGBBRJVBD-AXYGZTAOSA-N	-1	0	481.594	5.213	40	0		JKABRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1Nc1ccccc1	ZINC000408813729	570049783	/nfs/dbraw/zinc/04/97/83/570049783.db2.gz	UYEOOUKUMJBLFP-NDDKWJIQSA-N	-1	0	487.601	6.699	40	0		JKABRM
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408815688	570050404	/nfs/dbraw/zinc/05/04/04/570050404.db2.gz	XWLRQZLSHXMAQW-IVTWHQKDSA-N	-1	0	487.601	6.699	40	0		JKABRM
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408816145	570050629	/nfs/dbraw/zinc/05/06/29/570050629.db2.gz	XWLRQZLSHXMAQW-JGHMOANSSA-N	-1	0	487.601	6.699	40	0		JKABRM
C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1Nc1ccccc1	ZINC000408817523	570050897	/nfs/dbraw/zinc/05/08/97/570050897.db2.gz	VTPMLNSXVATPCE-SSMAJGOSSA-N	-1	0	451.568	5.204	40	0		JKABRM
O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cc(Br)cc(Br)c1[O-]	ZINC000408838367	570053264	/nfs/dbraw/zinc/05/32/64/570053264.db2.gz	DURKXOQCNGUELK-YIXHJXPBSA-N	-1	0	491.950	5.569	40	0		JKABRM
Cc1ccc(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])c(C)c1	ZINC000408894888	570066870	/nfs/dbraw/zinc/06/68/70/570066870.db2.gz	KYUODNHHFCUASW-UHFFFAOYSA-N	-1	0	464.328	5.402	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(Br)cc1	ZINC000247428990	570068063	/nfs/dbraw/zinc/06/80/63/570068063.db2.gz	UDZMUZLAPFJGPK-NAVOZUGXSA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Br)cc1	ZINC000247429006	570068186	/nfs/dbraw/zinc/06/81/86/570068186.db2.gz	UDZMUZLAPFJGPK-UEQSERJNSA-N	-1	0	476.370	5.842	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000408901283	570068688	/nfs/dbraw/zinc/06/86/88/570068688.db2.gz	DBLLAJZCBXVPPO-HYARGMPZSA-N	-1	0	461.495	5.213	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1	ZINC000408901954	570068928	/nfs/dbraw/zinc/06/89/28/570068928.db2.gz	JHXHFMHNDMKRQH-PCLIKHOPSA-N	-1	0	481.529	6.358	40	0		JKABRM
C[C@@H](C(=O)OCCCCCC(=O)OCCCCCC(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	ZINC000252007378	570079740	/nfs/dbraw/zinc/07/97/40/570079740.db2.gz	POINWAAFQADCEZ-OAQYLSRUSA-N	-1	0	482.573	5.313	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1	ZINC000408959609	570085224	/nfs/dbraw/zinc/08/52/24/570085224.db2.gz	BWXKYYVNZSVAQK-XKZIYDEJSA-N	-1	0	463.486	5.339	40	0		JKABRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)c(C)c1	ZINC000408961839	570086294	/nfs/dbraw/zinc/08/62/94/570086294.db2.gz	OLJVRIOJBSOMKL-UUYOSTAYSA-N	-1	0	490.537	5.245	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	ZINC000408969801	570088483	/nfs/dbraw/zinc/08/84/83/570088483.db2.gz	UXFBDXUHCQMDAY-UHFFFAOYSA-N	-1	0	493.799	6.731	40	0		JKABRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2sc3cc(C)ccc3c2Cl)cc1	ZINC000408970487	570088623	/nfs/dbraw/zinc/08/86/23/570088623.db2.gz	AELRMNLVPJVFQQ-UHFFFAOYSA-N	-1	0	452.963	6.041	40	0		JKABRM
O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(N2Cc3ccccc3C2)cc1	ZINC000408972171	570088870	/nfs/dbraw/zinc/08/88/70/570088870.db2.gz	TWTXKNZLGXKHMY-UHFFFAOYSA-N	-1	0	457.555	5.138	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2	ZINC000408993472	570094858	/nfs/dbraw/zinc/09/48/58/570094858.db2.gz	DGCCEPFIMKLMNZ-MYKRZTLLSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@@H]1Cc3ccccc3[C@@H]21	ZINC000409000996	570096350	/nfs/dbraw/zinc/09/63/50/570096350.db2.gz	ZOUZMWMEIJJIQY-OZNIXHKMSA-N	-1	0	481.979	7.088	40	0		JKABRM
CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409013942	570100504	/nfs/dbraw/zinc/10/05/04/570100504.db2.gz	OVRHIHQGPUCUAB-BRABVMKYSA-N	-1	0	461.539	5.952	40	0		JKABRM
CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)[O-])cc3)ccc3ccccc32)C1=O	ZINC000409013943	570100539	/nfs/dbraw/zinc/10/05/39/570100539.db2.gz	OVRHIHQGPUCUAB-YQCVNYCESA-N	-1	0	461.539	5.952	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C	ZINC000253498600	570100609	/nfs/dbraw/zinc/10/06/09/570100609.db2.gz	VUCXSJQWKDYYHQ-JZKWOFPISA-N	-1	0	494.672	6.551	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC(=O)[O-])[C@@]1(C)CC3	ZINC000253530336	570102874	/nfs/dbraw/zinc/10/28/74/570102874.db2.gz	OBBXOFBLEKETGL-OYMNYPABSA-N	-1	0	458.683	7.168	40	0	biogenic	JKABRM
O=C([O-])c1cnc(N2CCCCC[C@H]2c2ccccc2Br)nc1CCCc1ccccc1	ZINC000257201732	570108330	/nfs/dbraw/zinc/10/83/30/570108330.db2.gz	AIVAKFXYMFNMSQ-DEOSSOPVSA-N	-1	0	494.433	6.234	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257204027	570108911	/nfs/dbraw/zinc/10/89/11/570108911.db2.gz	ASTAYUYEYXACPG-MUUNZHRXSA-N	-1	0	477.988	5.436	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(C)(C)C)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257204570	570109155	/nfs/dbraw/zinc/10/91/55/570109155.db2.gz	AVGACZVMAKAGPB-ZEVJAHDQSA-N	-1	0	473.997	5.589	40	0		JKABRM
Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)[O-])Cc2ccc(Br)cc2F)cc1	ZINC000257205418	570109404	/nfs/dbraw/zinc/10/94/04/570109404.db2.gz	AYXVYXBEEBMFRC-UHFFFAOYSA-N	-1	0	472.310	5.416	40	0		JKABRM
COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000409051767	570110077	/nfs/dbraw/zinc/11/00/77/570110077.db2.gz	BQQAWLJHNCRBNL-HMAPJEAMSA-N	-1	0	461.495	5.213	40	0		JKABRM
CCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CCc2ccccc2)n1	ZINC000257208485	570110610	/nfs/dbraw/zinc/11/06/10/570110610.db2.gz	BMJLRKYAEBYZOV-UHFFFAOYSA-N	-1	0	456.542	5.955	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409053520	570110777	/nfs/dbraw/zinc/11/07/77/570110777.db2.gz	KPYVKECPHRHFIM-XKZIYDEJSA-N	-1	0	495.940	5.867	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCC(=O)[O-])Cc3ccc(Cl)cc3)ccc2O1	ZINC000257209418	570110829	/nfs/dbraw/zinc/11/08/29/570110829.db2.gz	BQHKPZVZHPGYHC-MHZLTWQESA-N	-1	0	481.951	5.533	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1	ZINC000257212310	570111720	/nfs/dbraw/zinc/11/17/20/570111720.db2.gz	CCTRFMGALGALDS-QFIPXVFZSA-N	-1	0	455.341	5.655	40	0		JKABRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(Cl)cc1	ZINC000257213772	570112149	/nfs/dbraw/zinc/11/21/49/570112149.db2.gz	CJAMTEUOZVYJDC-UHFFFAOYSA-N	-1	0	469.868	5.057	40	0		JKABRM
CCn1cc(CCc2nc(N3CCC[C@@H]3c3cccc(F)c3)ncc2C(=O)[O-])c2ccccc21	ZINC000257214202	570112291	/nfs/dbraw/zinc/11/22/91/570112291.db2.gz	CLAAOYNECXDIDF-XMMPIXPASA-N	-1	0	458.537	5.415	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@](C)(Cc2ccc(Cl)cc2)O3)cc1	ZINC000257215768	570112729	/nfs/dbraw/zinc/11/27/29/570112729.db2.gz	CROKMEPRCCKPJZ-NDEPHWFRSA-N	-1	0	477.988	5.241	40	0		JKABRM
C[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1c(Br)cccc1C(=O)[O-]	ZINC000257220296	570114193	/nfs/dbraw/zinc/11/41/93/570114193.db2.gz	DKHNKENTEADOAG-MRXNPFEDSA-N	-1	0	486.337	5.455	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257223371	570115127	/nfs/dbraw/zinc/11/51/27/570115127.db2.gz	DXASYACOBQFIMK-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@H]2OC[C@@]3(CCCN(C(=O)CC4CCCCC4)C3)C[C@@H]21	ZINC000257224593	570115445	/nfs/dbraw/zinc/11/54/45/570115445.db2.gz	FCMCMOBBTHXUTK-AXCRSINUSA-N	-1	0	469.622	5.359	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(CC(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257225885	570115777	/nfs/dbraw/zinc/11/57/77/570115777.db2.gz	FIFTXZSZETZOAH-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(-c3ccccc3)ccc2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257232110	570117653	/nfs/dbraw/zinc/11/76/53/570117653.db2.gz	GJLXDZXRAWUOOY-REUBFRLUSA-N	-1	0	477.532	5.444	40	0		JKABRM
O=C([O-])c1cnc([C@H]2CCCCN2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257232174	570117658	/nfs/dbraw/zinc/11/76/58/570117658.db2.gz	GJSIFZGEEMFNSU-HSZRJFAPSA-N	-1	0	453.945	5.480	40	0		JKABRM
COc1cccc(C(=O)[O-])c1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)c1ccccc1	ZINC000257236094	570118906	/nfs/dbraw/zinc/11/89/06/570118906.db2.gz	HASQWRVPVXRWFK-QGZVFWFLSA-N	-1	0	453.922	5.216	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)c1	ZINC000257236537	570119131	/nfs/dbraw/zinc/11/91/31/570119131.db2.gz	HCPQJXOAAFPUMH-UHFFFAOYSA-N	-1	0	467.352	6.539	40	0		JKABRM
COc1ccc(CN(Cc2ccc(C(C)C)cc2)C(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000257237041	570119199	/nfs/dbraw/zinc/11/91/99/570119199.db2.gz	HEXUANLFKNTXKB-UHFFFAOYSA-N	-1	0	481.976	5.778	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CCc3ccccc3F)CC(=O)[O-])ccc2O1	ZINC000257237331	570119359	/nfs/dbraw/zinc/11/93/59/570119359.db2.gz	HGADTBFZUZAAIU-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CCc3ccccc3F)CC(=O)[O-])ccc2O1	ZINC000257237330	570119378	/nfs/dbraw/zinc/11/93/78/570119378.db2.gz	HGADTBFZUZAAIU-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
COc1ccccc1CN(C(=O)COc1c(Br)cccc1C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000257241824	570120654	/nfs/dbraw/zinc/12/06/54/570120654.db2.gz	HZTRQMXOTNPFRE-KRWDZBQOSA-N	-1	0	498.373	5.325	40	0		JKABRM
COc1ccc(CN(Cc2ccccc2Cl)C(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000257242555	570120890	/nfs/dbraw/zinc/12/08/90/570120890.db2.gz	IDCDXNLQUNHWQG-UHFFFAOYSA-N	-1	0	474.340	5.308	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2cccc(Br)c2)nc1COc1ccccc1Cl	ZINC000257245017	570121546	/nfs/dbraw/zinc/12/15/46/570121546.db2.gz	INUFABFSGPRMQJ-IBGZPJMESA-N	-1	0	488.769	5.511	40	0		JKABRM
COc1cc(CC(=O)N(CC(=O)[O-])Cc2ccccc2)cc2c1O[C@@H](c1ccc(Cl)cc1)[C@H](C)C2	ZINC000257245521	570121716	/nfs/dbraw/zinc/12/17/16/570121716.db2.gz	IPWZQOYVAPORAN-DNOBIOAJSA-N	-1	0	493.987	5.317	40	0		JKABRM
O=C([O-])CCN(CCc1cccc(Cl)c1)C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257246925	570122182	/nfs/dbraw/zinc/12/21/82/570122182.db2.gz	IWPBYDUJWLXEBJ-UHFFFAOYSA-N	-1	0	482.024	5.674	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2ccc(Cl)cc2)O1	ZINC000257247500	570122508	/nfs/dbraw/zinc/12/25/08/570122508.db2.gz	IZHDFMNKZNHKCH-ARNLJNQMSA-N	-1	0	459.970	5.244	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(C(C)C)ccc3OCC(=O)[O-])nn2Cc2ccccc2)c1OC	ZINC000257252101	570123713	/nfs/dbraw/zinc/12/37/13/570123713.db2.gz	JTOITZAKGFZORY-UHFFFAOYSA-N	-1	0	486.568	5.869	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2cccc(Br)c2)nc1CCc1ccc(F)cc1	ZINC000257251916	570123715	/nfs/dbraw/zinc/12/37/15/570123715.db2.gz	JSVUXZWOYZPIJZ-NRFANRHFSA-N	-1	0	470.342	5.203	40	0		JKABRM
O=C([O-])c1cnc(N2CCCCC[C@@H]2c2ccccc2Br)nc1Cc1ccccc1	ZINC000257252498	570123807	/nfs/dbraw/zinc/12/38/07/570123807.db2.gz	JUZWXTJGTJATON-JOCHJYFZSA-N	-1	0	466.379	5.650	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(Br)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257254478	570124545	/nfs/dbraw/zinc/12/45/45/570124545.db2.gz	KDFSHEIWETVFAW-TUNNFDKTSA-N	-1	0	496.785	5.054	40	0		JKABRM
COc1ccc(CN(Cc2ccccc2Cl)C(=O)COc2c(Cl)cccc2C(=O)[O-])cc1	ZINC000257255334	570124772	/nfs/dbraw/zinc/12/47/72/570124772.db2.gz	KHBRLNLKAXOVHQ-UHFFFAOYSA-N	-1	0	474.340	5.308	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(=O)[O-])ccc2OCC(C)C)O[C@H](c2ccc(Cl)cc2)C1	ZINC000257257717	570125535	/nfs/dbraw/zinc/12/55/35/570125535.db2.gz	KQUXWFGKFNRXTF-JBRSBNLGSA-N	-1	0	459.970	5.561	40	0		JKABRM
COc1cccc(CN(CCc2ccccc2)C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])c1OC	ZINC000257258381	570125671	/nfs/dbraw/zinc/12/56/71/570125671.db2.gz	KTPSEVKRGLXKNG-UHFFFAOYSA-N	-1	0	491.584	5.176	40	0		JKABRM
CC(C)c1ccccc1OCCNc1ncc(C(=O)[O-])c(COc2ccc3c(c2)CCCC3)n1	ZINC000257258811	570125800	/nfs/dbraw/zinc/12/58/00/570125800.db2.gz	KVQOKSJSNLXCGE-UHFFFAOYSA-N	-1	0	461.562	5.247	40	0		JKABRM
C[C@@]1(Cc2ccccc2)CCc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(Cl)c3)ccc2O1	ZINC000257258728	570125847	/nfs/dbraw/zinc/12/58/47/570125847.db2.gz	KVFZRYKZRFZOOI-MHZLTWQESA-N	-1	0	463.961	5.393	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCC(=O)[O-])Cc3cccc(Cl)c3)ccc2O1	ZINC000257259298	570125933	/nfs/dbraw/zinc/12/59/33/570125933.db2.gz	KXSHPQCILPGWQZ-LJAQVGFWSA-N	-1	0	492.015	5.712	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCC(=O)[O-])Cc3cccc(Cl)c3)ccc2O1	ZINC000257259297	570126019	/nfs/dbraw/zinc/12/60/19/570126019.db2.gz	KXSHPQCILPGWQZ-GDLZYMKVSA-N	-1	0	492.015	5.712	40	0		JKABRM
O=C([O-])COc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1	ZINC000257261407	570126746	/nfs/dbraw/zinc/12/67/46/570126746.db2.gz	LHDOXCYGPKFEKQ-UHFFFAOYSA-N	-1	0	467.352	6.230	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2OC)n1	ZINC000257262417	570127142	/nfs/dbraw/zinc/12/71/42/570127142.db2.gz	LLHRLGAHZOGPTA-UHFFFAOYSA-N	-1	0	474.532	6.290	40	0		JKABRM
Cc1nc2cc(C(=O)[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1C1CCCCC1	ZINC000257262432	570127170	/nfs/dbraw/zinc/12/71/70/570127170.db2.gz	LLJXUXCBBYOHMD-UHFFFAOYSA-N	-1	0	453.608	5.266	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(Cl)c3)ccc2O1	ZINC000257264341	570127807	/nfs/dbraw/zinc/12/78/07/570127807.db2.gz	LTYZXUYSPFKAFC-AREMUKBSSA-N	-1	0	485.914	5.282	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2ccc(C(C)(C)C)cc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257264931	570127930	/nfs/dbraw/zinc/12/79/30/570127930.db2.gz	LWORHNAFUZPFFB-PPJWLVRDSA-N	-1	0	473.997	5.589	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc2O1	ZINC000257266270	570128358	/nfs/dbraw/zinc/12/83/58/570128358.db2.gz	MCGAORAGTULMSB-SANMLTNESA-N	-1	0	467.924	5.142	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257267326	570128645	/nfs/dbraw/zinc/12/86/45/570128645.db2.gz	MGUGQHDELPXJIO-NDEPHWFRSA-N	-1	0	495.978	5.114	40	0		JKABRM
O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1nc2ccc(Cl)cc2s1	ZINC000257268056	570128976	/nfs/dbraw/zinc/12/89/76/570128976.db2.gz	MKAFRVWFURPWIV-CQSZACIVSA-N	-1	0	486.018	5.508	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(C(=O)[O-])ccc3OCC(C)C)nn2CC(C)C)c1OC	ZINC000257268522	570129041	/nfs/dbraw/zinc/12/90/41/570129041.db2.gz	MMCCQTPIHQUANA-UHFFFAOYSA-N	-1	0	452.551	5.623	40	0		JKABRM
CC(C)C(=O)N[C@]1(C)C[C@H](c2cc(Cl)cc(Br)c2[O-])O[C@@H]2C[C@H](C)CC[C@H]21	ZINC000257268324	570129154	/nfs/dbraw/zinc/12/91/54/570129154.db2.gz	MLDZZYJOCPQTRV-UMGDAMFDSA-N	-1	0	458.824	5.605	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1	ZINC000409105548	570130010	/nfs/dbraw/zinc/13/00/10/570130010.db2.gz	KYTOAOKXIMVVEE-ODLFYWEKSA-N	-1	0	456.882	5.205	40	0		JKABRM
COc1cccc(-c2cc(-c3ccc(C(C)(C)C)cc3OCC(=O)[O-])nn2CC(C)C)c1OC	ZINC000257271292	570130028	/nfs/dbraw/zinc/13/00/28/570130028.db2.gz	MXSARNLVQGNLPV-UHFFFAOYSA-N	-1	0	466.578	5.651	40	0		JKABRM
CCOc1ccccc1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(CC(C)C)c1	ZINC000257271412	570130056	/nfs/dbraw/zinc/13/00/56/570130056.db2.gz	MYEVZUYWBVGHGE-UHFFFAOYSA-N	-1	0	493.669	6.367	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257271394	570130100	/nfs/dbraw/zinc/13/01/00/570130100.db2.gz	MYDAMGJWPHPHST-GDLZYMKVSA-N	-1	0	492.015	5.283	40	0		JKABRM
CC(C)c1ccc(CN(Cc2ccccc2)C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])cc1	ZINC000257272241	570130287	/nfs/dbraw/zinc/13/02/87/570130287.db2.gz	NBPCDVINMNHIDG-UHFFFAOYSA-N	-1	0	459.586	6.239	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1	ZINC000409107108	570130698	/nfs/dbraw/zinc/13/06/98/570130698.db2.gz	UWVAMSWFYAMABK-UNOMPAQXSA-N	-1	0	483.343	5.175	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccc(F)cc3)ccc2O1	ZINC000257274376	570130869	/nfs/dbraw/zinc/13/08/69/570130869.db2.gz	NKUDBPIEYGJAPJ-HHHXNRCGSA-N	-1	0	499.941	5.210	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257275196	570131178	/nfs/dbraw/zinc/13/11/78/570131178.db2.gz	NOIAMFRPBJVACI-MHZLTWQESA-N	-1	0	498.406	5.699	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1	ZINC000257276603	570131605	/nfs/dbraw/zinc/13/16/05/570131605.db2.gz	NULIPZIDAXNMLY-UHFFFAOYSA-N	-1	0	467.352	6.539	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@](C)(Cc2ccc(C(C)C)cc2)O3)c1	ZINC000257277129	570131696	/nfs/dbraw/zinc/13/16/96/570131696.db2.gz	NWOCNJSCKHTBCE-YTTGMZPUSA-N	-1	0	499.651	5.753	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Br)cc2)nc1CCc1ccc(F)cc1	ZINC000257278250	570132201	/nfs/dbraw/zinc/13/22/01/570132201.db2.gz	OBMPRQFZLIWJTP-OAQYLSRUSA-N	-1	0	470.342	5.203	40	0		JKABRM
Cc1cc(C)cc(OCCNc2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)c1	ZINC000257280129	570132740	/nfs/dbraw/zinc/13/27/40/570132740.db2.gz	OJOCBKGACDGWQT-UHFFFAOYSA-N	-1	0	455.942	5.132	40	0		JKABRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1cccc(Br)c1OCc1ccccc1	ZINC000257280888	570133036	/nfs/dbraw/zinc/13/30/36/570133036.db2.gz	OMUUSMORUNKNMM-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@](C)(Cc2ccc(C(C)C)cc2)O3)cc1	ZINC000257282713	570133576	/nfs/dbraw/zinc/13/35/76/570133576.db2.gz	OUYDGJYJLOTNTO-PMERELPUSA-N	-1	0	471.597	5.782	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CCc2ccccc2)n1	ZINC000257284836	570134118	/nfs/dbraw/zinc/13/41/18/570134118.db2.gz	PENAQRGWKXSLPK-UHFFFAOYSA-N	-1	0	470.569	6.346	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CCc2ccccc2)n1	ZINC000257286659	570134615	/nfs/dbraw/zinc/13/46/15/570134615.db2.gz	PMLDHYGUPGTVEZ-UHFFFAOYSA-N	-1	0	484.596	6.274	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2	ZINC000257286795	570134636	/nfs/dbraw/zinc/13/46/36/570134636.db2.gz	PNBIAWDCDDZZFC-YTTGMZPUSA-N	-1	0	499.651	5.753	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(CCc2ccccc2)n1	ZINC000257286702	570134641	/nfs/dbraw/zinc/13/46/41/570134641.db2.gz	PMRAGHWZQICJAY-UHFFFAOYSA-N	-1	0	470.569	5.884	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3Cl)ccc2O1	ZINC000257288644	570135122	/nfs/dbraw/zinc/13/51/22/570135122.db2.gz	PVBFLYHTZKHVIQ-SANMLTNESA-N	-1	0	467.924	5.142	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2)c1	ZINC000409124173	570137105	/nfs/dbraw/zinc/13/71/05/570137105.db2.gz	JPIZIBRCEVHGIS-HYARGMPZSA-N	-1	0	451.544	5.580	40	0		JKABRM
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3)n2)c(OCC(=O)[O-])c1	ZINC000257299620	570138333	/nfs/dbraw/zinc/13/83/33/570138333.db2.gz	RQUQTNBKSMHUNO-UHFFFAOYSA-N	-1	0	453.325	6.285	40	0		JKABRM
O=C([O-])Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	ZINC000409129006	570139285	/nfs/dbraw/zinc/13/92/85/570139285.db2.gz	LOQUYQRBLJMKSN-LSCVHKIXSA-N	-1	0	461.326	5.269	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(Cl)ccc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257303545	570139519	/nfs/dbraw/zinc/13/95/19/570139519.db2.gz	SHQRZAMJDCUVFY-UHFFFAOYSA-N	-1	0	476.960	5.975	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000257304230	570139597	/nfs/dbraw/zinc/13/95/97/570139597.db2.gz	SKQYHUFZOLPNCU-UHFFFAOYSA-N	-1	0	495.406	7.408	40	0		JKABRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1OCc1cccc(Cl)c1	ZINC000257304317	570139728	/nfs/dbraw/zinc/13/97/28/570139728.db2.gz	SLAIBLYUMBPZFL-UHFFFAOYSA-N	-1	0	469.868	5.057	40	0		JKABRM
COc1ccccc1Cn1nc(-c2cc(C)ccc2OCC(=O)[O-])cc1-c1ccc(Cl)cc1	ZINC000257305330	570139816	/nfs/dbraw/zinc/13/98/16/570139816.db2.gz	SPLMHZSOSXPALZ-UHFFFAOYSA-N	-1	0	462.933	5.699	40	0		JKABRM
Cc1ccc(Oc2ccc(F)cc2C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000257306043	570140124	/nfs/dbraw/zinc/14/01/24/570140124.db2.gz	SSQRRAQPLLHTKT-UHFFFAOYSA-N	-1	0	453.413	5.064	40	0		JKABRM
C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@H]2OC[C@@]3(CCCN(C(=O)CCC4CCCCC4)C3)C[C@@H]21	ZINC000257306207	570140127	/nfs/dbraw/zinc/14/01/27/570140127.db2.gz	STHQGUQAUHJMNC-QHGKVXFQSA-N	-1	0	483.649	5.749	40	0		JKABRM
O=C([O-])c1sc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1COc1ccccc1Cl	ZINC000257306192	570140132	/nfs/dbraw/zinc/14/01/32/570140132.db2.gz	STFWLMOMFGRAPC-SFHVURJKSA-N	-1	0	491.396	5.633	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1COc1ccc(Cl)cc1	ZINC000257311917	570141981	/nfs/dbraw/zinc/14/19/81/570141981.db2.gz	ULPBFMGPPQOCFZ-DEOSSOPVSA-N	-1	0	464.949	5.309	40	0		JKABRM
O=C([O-])c1sc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257315064	570142930	/nfs/dbraw/zinc/14/29/30/570142930.db2.gz	UZTGKQAVFJMFGX-HXUWFJFHSA-N	-1	0	472.969	5.325	40	0		JKABRM
O=C([O-])CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257316250	570143312	/nfs/dbraw/zinc/14/33/12/570143312.db2.gz	VEUJRNTZWXREQL-UHFFFAOYSA-N	-1	0	487.522	5.606	40	0		JKABRM
COc1ccccc1-c1cc(-c2cc(C(C)C)ccc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257316928	570143667	/nfs/dbraw/zinc/14/36/67/570143667.db2.gz	VHPGECRICGMGRJ-UHFFFAOYSA-N	-1	0	470.569	6.055	40	0		JKABRM
CC(C)c1cccc(N[C@H]2CC[C@@H](C(=O)N(CC(=O)[O-])Cc3c(F)cccc3Cl)CC[C@@H]2O)c1	ZINC000257317492	570143773	/nfs/dbraw/zinc/14/37/73/570143773.db2.gz	VJYCITWQQYTMIQ-CQLNOVPUSA-N	-1	0	491.003	5.048	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccc(F)cc3Cl)ccc2O1	ZINC000257317775	570143809	/nfs/dbraw/zinc/14/38/09/570143809.db2.gz	VLBWMDYZOJXKLN-HHHXNRCGSA-N	-1	0	499.941	5.210	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccc(F)cc3Cl)ccc2O1	ZINC000257317776	570143811	/nfs/dbraw/zinc/14/38/11/570143811.db2.gz	VLBWMDYZOJXKLN-MHZLTWQESA-N	-1	0	499.941	5.210	40	0		JKABRM
O=C1S/C(=C/c2cc(Br)c([O-])c(Br)c2)C(=O)N1CC1CCCCC1	ZINC000409141039	570144557	/nfs/dbraw/zinc/14/45/57/570144557.db2.gz	TVHUVNDKTAUPAZ-RIYZIHGNSA-N	-1	0	475.202	5.534	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cc2c1O[C@](C)(Cc1ccc(Cl)cc1)C2	ZINC000257323485	570145502	/nfs/dbraw/zinc/14/55/02/570145502.db2.gz	WKKFVXVHYWKTLZ-HHHXNRCGSA-N	-1	0	479.960	5.012	40	0		JKABRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1OCc1ccc(Cl)cc1	ZINC000257326387	570146431	/nfs/dbraw/zinc/14/64/31/570146431.db2.gz	WXASROLBYYWORD-UHFFFAOYSA-N	-1	0	469.868	5.057	40	0		JKABRM
O=C([O-])COc1cc(F)c(F)cc1-c1cc(-c2ccc(F)cc2)n(CCc2ccccc2)n1	ZINC000257326685	570146574	/nfs/dbraw/zinc/14/65/74/570146574.db2.gz	WYEUUFCEDCWYBP-UHFFFAOYSA-N	-1	0	452.432	5.341	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@@](C)(Cc2ccc(Cl)cc2)O3)c1	ZINC000257327294	570146668	/nfs/dbraw/zinc/14/66/68/570146668.db2.gz	XAVVSGPGARBUNX-MUUNZHRXSA-N	-1	0	477.988	5.354	40	0		JKABRM
CCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1[C@H]1C[C@@H](NC(C)=O)C[C@@H](c2ccccc2)O1	ZINC000257328943	570147210	/nfs/dbraw/zinc/14/72/10/570147210.db2.gz	XHSJDDDLCIGTPB-MSLLRLGPSA-N	-1	0	459.542	5.548	40	0		JKABRM
COc1ccccc1CN(Cc1c[nH]c2ccccc12)C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000257338264	570149826	/nfs/dbraw/zinc/14/98/26/570149826.db2.gz	YWQVFHKZMCVIFI-UHFFFAOYSA-N	-1	0	478.932	5.136	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257339819	570150379	/nfs/dbraw/zinc/15/03/79/570150379.db2.gz	ZDJCKVWZHIKZDK-DEOSSOPVSA-N	-1	0	482.939	5.100	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257340743	570150523	/nfs/dbraw/zinc/15/05/23/570150523.db2.gz	ZHIZIWHIZFEMJH-SSEXGKCCSA-N	-1	0	471.597	5.102	40	0		JKABRM
O=C([O-])COc1cc2c(cc1-c1cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n1)OCO2	ZINC000257340948	570150634	/nfs/dbraw/zinc/15/06/34/570150634.db2.gz	ZIFWXRFSRCWKMO-UHFFFAOYSA-N	-1	0	462.889	5.111	40	0		JKABRM
C[C@@]1(C2CCN(C(=O)c3ccccc3-c3ccccc3C(=O)[O-])CC2)CN(Cc2ccccc2)C(=O)O1	ZINC000257341352	570150669	/nfs/dbraw/zinc/15/06/69/570150669.db2.gz	ZJYZVEVGGZBDMY-PMERELPUSA-N	-1	0	498.579	5.315	40	0		JKABRM
CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=O)c1	ZINC000409166337	570153424	/nfs/dbraw/zinc/15/34/24/570153424.db2.gz	DBZNMCYIPQLAEZ-CHHVJCJISA-N	-1	0	469.371	5.096	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3	ZINC000257490153	570153997	/nfs/dbraw/zinc/15/39/97/570153997.db2.gz	NBSBUIQBEPROBM-LTGKBQHQSA-N	-1	0	456.711	7.544	40	0	endogenous,in-man	JKABRM
Cc1nnc(SC(=Cc2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])[nH]1	ZINC000409192026	570162235	/nfs/dbraw/zinc/16/22/35/570162235.db2.gz	SPWUOHDFHNWTCT-GRSHGNNSSA-N	-1	0	469.364	5.096	40	0		JKABRM
Cc1nnc(SC(=Cc2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])[nH]1	ZINC000409192098	570162242	/nfs/dbraw/zinc/16/22/42/570162242.db2.gz	UTQQVFYZXXWGSM-MTJSOVHGSA-N	-1	0	496.386	5.826	40	0		JKABRM
CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000409193762	570162850	/nfs/dbraw/zinc/16/28/50/570162850.db2.gz	MEKTXMFPGWCRDX-UUYOSTAYSA-N	-1	0	453.564	5.234	40	0		JKABRM
COc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409194196	570162978	/nfs/dbraw/zinc/16/29/78/570162978.db2.gz	OKCAWTFFLGPTTD-FYJGNVAPSA-N	-1	0	495.940	5.867	40	0		JKABRM
Cc1nnc(SC(=Cc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)C(=O)[O-])[nH]1	ZINC000409195596	570163490	/nfs/dbraw/zinc/16/34/90/570163490.db2.gz	UGRKVPDZGPFZFJ-ITYLOYPMSA-N	-1	0	492.604	6.764	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1	ZINC000409238338	570180743	/nfs/dbraw/zinc/18/07/43/570180743.db2.gz	NBLKBYBKLFYWKA-PCLIKHOPSA-N	-1	0	478.504	5.210	40	0		JKABRM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1Cl	ZINC000409249795	570185443	/nfs/dbraw/zinc/18/54/43/570185443.db2.gz	OSLQEHLESJDUFI-UHFFFAOYSA-N	-1	0	482.341	5.138	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000407947172	570185601	/nfs/dbraw/zinc/18/56/01/570185601.db2.gz	TYXBDWQIJIOJKW-DLWORKIQSA-N	-1	0	490.725	5.113	40	0		JKABRM
CCOc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000408539805	570191307	/nfs/dbraw/zinc/19/13/07/570191307.db2.gz	JUROOJGBTUPPHV-UHFFFAOYSA-N	-1	0	487.346	5.713	40	0		JKABRM
CCOc1cc(COc2c(Br)cc(C(=O)[O-])cc2OC)ccc1OCc1ccccc1	ZINC000408540718	570191471	/nfs/dbraw/zinc/19/14/71/570191471.db2.gz	VJTLCMOGMDPWCG-UHFFFAOYSA-N	-1	0	487.346	5.713	40	0		JKABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)o1	ZINC000408543493	570192095	/nfs/dbraw/zinc/19/20/95/570192095.db2.gz	RLKWIWAIPYFVFN-UUYOSTAYSA-N	-1	0	458.495	5.217	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2Cl)c1	ZINC000408544725	570192595	/nfs/dbraw/zinc/19/25/95/570192595.db2.gz	IZPZMUNFRNKMPU-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2Cl)c1C	ZINC000408545666	570192939	/nfs/dbraw/zinc/19/29/39/570192939.db2.gz	MBFVVUSCUHIWFT-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000408545848	570193046	/nfs/dbraw/zinc/19/30/46/570193046.db2.gz	OWSGZXARCJUGOT-UHFFFAOYSA-N	-1	0	456.995	5.881	40	0		JKABRM
O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408546467	570193358	/nfs/dbraw/zinc/19/33/58/570193358.db2.gz	STORBTHZJOYKPS-UHFFFAOYSA-N	-1	0	495.453	5.457	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)c1C	ZINC000408546403	570193391	/nfs/dbraw/zinc/19/33/91/570193391.db2.gz	SDQGRFIXMBKNIY-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)c1	ZINC000408546740	570193494	/nfs/dbraw/zinc/19/34/94/570193494.db2.gz	URTINUQRUDXOAS-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)c1C	ZINC000408547391	570193812	/nfs/dbraw/zinc/19/38/12/570193812.db2.gz	JCZIZTTWONZPKE-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCSCc2c(F)cccc2Cl)cc1	ZINC000408547799	570193909	/nfs/dbraw/zinc/19/39/09/570193909.db2.gz	NBCRZSBKUHEXMG-UHFFFAOYSA-N	-1	0	493.025	5.252	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)c(C)c1	ZINC000408547834	570193957	/nfs/dbraw/zinc/19/39/57/570193957.db2.gz	NPRCOYPCRWCZFK-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
Cc1ccccc1CSCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408548774	570194370	/nfs/dbraw/zinc/19/43/70/570194370.db2.gz	UYCKHSJHOOQOOM-UHFFFAOYSA-N	-1	0	475.035	5.112	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(NC(=O)c2cccc(Cl)c2)c1	ZINC000408558213	570198865	/nfs/dbraw/zinc/19/88/65/570198865.db2.gz	ITYJRZGIAHOHIF-UHFFFAOYSA-N	-1	0	474.966	5.191	40	0		JKABRM
CC(=O)N(Cc1ccc(OCc2ccccc2Cl)cc1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408563940	570202371	/nfs/dbraw/zinc/20/23/71/570202371.db2.gz	BQIHTJKXTJEVLZ-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
CCOc1ccc(Cl)cc1CN(C(=O)c1ccccc1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408564415	570202691	/nfs/dbraw/zinc/20/26/91/570202691.db2.gz	CTDGQSJRPNZMNC-UHFFFAOYSA-N	-1	0	494.975	5.121	40	0		JKABRM
O=C([O-])COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1	ZINC000409328576	570202988	/nfs/dbraw/zinc/20/29/88/570202988.db2.gz	XWPCACQGDTYGKG-MUUNZHRXSA-N	-1	0	464.521	5.516	40	0		JKABRM
CC(=O)N(Cc1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408566829	570203890	/nfs/dbraw/zinc/20/38/90/570203890.db2.gz	PDYKFMGUXOHCOU-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
O=C([O-])c1cc(N(Cc2ccc(Cl)c(Cl)c2)C(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000408568790	570204289	/nfs/dbraw/zinc/20/42/89/570204289.db2.gz	UPFUMVZCZLLANL-UHFFFAOYSA-N	-1	0	485.367	5.375	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2Cl)cc1C	ZINC000408580941	570206705	/nfs/dbraw/zinc/20/67/05/570206705.db2.gz	SMZAGAMKRRBVNT-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2Cl)c1	ZINC000408581646	570206783	/nfs/dbraw/zinc/20/67/83/570206783.db2.gz	YJJPTNCZSOLPDT-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)ccc1OCC	ZINC000408586193	570208065	/nfs/dbraw/zinc/20/80/65/570208065.db2.gz	MKXABLUKVOLAQS-UHFFFAOYSA-N	-1	0	466.865	5.127	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(=O)NCC(C)C	ZINC000408589449	570208813	/nfs/dbraw/zinc/20/88/13/570208813.db2.gz	FQYXBPDZHKLLNV-UHFFFAOYSA-N	-1	0	454.617	5.333	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1NC(=O)c1ccccc1C	ZINC000408592453	570209494	/nfs/dbraw/zinc/20/94/94/570209494.db2.gz	KNGGQCDWVLDLEW-UHFFFAOYSA-N	-1	0	498.910	5.729	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@]1(C)O	ZINC000257808145	571860978	/nfs/dbraw/zinc/86/09/78/571860978.db2.gz	ZZTYPLSBNNGEIS-GXBAXTENSA-N	-1	0	472.710	6.204	40	0	endogenous,in-man	JKABRM
CO[C@@H]1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3[C@@](C)(C(=O)[O-])[C@H](O)CC[C@]3(C)[C@H]12	ZINC000604381296	1121692850	/nfs/dbraw/zinc/69/28/50/1121692850.db2.gz	DMQPVDULZCZONO-KIFPPEIESA-N	-1	0	486.737	6.714	40	0	biogenic,in-vitro	JKABRM
C/C(=C/CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-]	ZINC000035458156	290664299	/nfs/dbraw/zinc/66/42/99/290664299.db2.gz	VOYZLKWKVLYJHD-PLKQDFJCSA-N	-1	0	454.695	7.608	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000138155364	290714860	/nfs/dbraw/zinc/71/48/60/290714860.db2.gz	HFGSQOYIOKBQOW-QFGXNLFWSA-N	-1	0	472.710	6.060	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2[C@]1(C)O	ZINC000248342578	291547647	/nfs/dbraw/zinc/54/76/47/291547647.db2.gz	YLHQFGOOMKJFLP-UFDUZERYSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
CC[C@@H](C)C(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c([C@H](CC)OC(C)=O)cc(=O)oc12	ZINC000014718757	291584220	/nfs/dbraw/zinc/58/42/20/291584220.db2.gz	UTENTZJIWUVVPY-UGEVSEOWSA-N	-1	0	498.616	6.682	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1[C@@H](C)CC[C@@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12	ZINC000003947456	291597835	/nfs/dbraw/zinc/59/78/35/291597835.db2.gz	WCGUUGGRBIKTOS-HZEBJKRWSA-N	-1	0	456.711	7.090	40	0	biogenic,in-man	JKABRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)c1C	ZINC000000938868	193986724	/nfs/dbraw/zinc/98/67/24/193986724.db2.gz	DIISQSNIJVOMEL-LJQANCHMSA-N	-1	0	491.569	5.165	40	0		JKABRM
CC(C)(C)Oc1cccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000004284373	194387027	/nfs/dbraw/zinc/38/70/27/194387027.db2.gz	BWKICYYOJGUIIO-VWLOTQADSA-N	-1	0	459.542	5.918	40	0		JKABRM
CCOC(=O)c1sc([N-]c2ncc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)n2)nc1C	ZINC000020799657	195226385	/nfs/dbraw/zinc/22/63/85/195226385.db2.gz	LKODCAJIRNQBAC-UHFFFAOYSA-N	-1	0	489.557	5.515	40	0		JKABRM
[O-]c1c(Br)cc(Br)c2ccc(/C=C\c3c(O)ccc4ccccc34)nc12	ZINC000057681143	195357469	/nfs/dbraw/zinc/35/74/69/195357469.db2.gz	NGEIVDFIXGKIKP-VURMDHGXSA-N	-1	0	471.148	6.495	40	0	in-vitro	JKABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)N3c4ccccc4Sc4ccccc43)cc2)n1	ZINC000059244654	195395606	/nfs/dbraw/zinc/39/56/06/195395606.db2.gz	XHJGWMQYPBJCAX-UHFFFAOYSA-N	-1	0	489.582	5.421	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1	ZINC000059417549	195399636	/nfs/dbraw/zinc/39/96/36/195399636.db2.gz	YLSLCBJWGPAABH-UHFFFAOYSA-N	-1	0	466.515	5.361	40	0		JKABRM
CCn1c(S/C(=C\c2ccccc2OCc2ccccc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634371	195480331	/nfs/dbraw/zinc/48/03/31/195480331.db2.gz	QFYJIODSZMDSJV-KQWNVCNZSA-N	-1	0	492.000	6.415	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000095949906	129948229	/nfs/dbraw/zinc/94/82/29/129948229.db2.gz	RZAKJRHDNDQBMI-PWGQJFPFSA-N	-1	0	478.721	7.310	40	0		JKABRM
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102916311	130387660	/nfs/dbraw/zinc/38/76/60/130387660.db2.gz	OYQRUSYPABDFAO-SIKLNZKXSA-N	-1	0	486.282	5.051	40	0		JKABRM
O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102916319	130388400	/nfs/dbraw/zinc/38/84/00/130388400.db2.gz	OYQRUSYPABDFAO-KNQAVFIVSA-N	-1	0	486.282	5.051	40	0		JKABRM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)occ3-c1ccccc1	ZINC000103658421	130651431	/nfs/dbraw/zinc/65/14/31/130651431.db2.gz	CVJHNVSDGABJKP-IZAXUBKRSA-N	-1	0	473.525	5.064	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccc(Br)s3)c2)cc1	ZINC000020488678	519022136	/nfs/dbraw/zinc/02/21/36/519022136.db2.gz	JYSLMZINJWRINH-UHFFFAOYSA-N	-1	0	493.448	5.861	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000044880776	521255891	/nfs/dbraw/zinc/25/58/91/521255891.db2.gz	ZQZZWQHNGRNMGH-SFHVURJKSA-N	-1	0	487.021	5.647	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000033442009	521971505	/nfs/dbraw/zinc/97/15/05/521971505.db2.gz	AQVSHDSMGHNJML-HMAPJEAMSA-N	-1	0	461.495	5.213	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(C)cc1	ZINC000044885806	522533491	/nfs/dbraw/zinc/53/34/91/522533491.db2.gz	OWBYSLBWZPZVQP-QFIPXVFZSA-N	-1	0	471.022	5.947	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(C)cc1	ZINC000044880498	522534007	/nfs/dbraw/zinc/53/40/07/522534007.db2.gz	XHDXIPLJUWJGFR-NRFANRHFSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(C)cc1	ZINC000044885809	522785475	/nfs/dbraw/zinc/78/54/75/522785475.db2.gz	OWBYSLBWZPZVQP-JOCHJYFZSA-N	-1	0	471.022	5.947	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccc(OC)cc1	ZINC000044901200	522785802	/nfs/dbraw/zinc/78/58/02/522785802.db2.gz	QXSYZXMXZISPHY-HSZRJFAPSA-N	-1	0	487.021	5.647	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccc(OC)cc1	ZINC000030753602	522785922	/nfs/dbraw/zinc/78/59/22/522785922.db2.gz	UEWBIZHSDAFOEA-JOCHJYFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
CCn1cc(Br)c(-c2nc(=O)c3sc4nc(C(F)F)cc(-c5ccco5)c4c3[n-]2)n1	ZINC000002731618	523310110	/nfs/dbraw/zinc/31/01/10/523310110.db2.gz	YVXVIQLPUSKHKH-UHFFFAOYSA-N	-1	0	492.305	5.376	40	0		JKABRM
COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000020468257	524023933	/nfs/dbraw/zinc/02/39/33/524023933.db2.gz	UOSUWXZXOBIBSY-PDWMJMLSSA-N	-1	0	455.576	5.185	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2Cl)c1	ZINC000044842027	524689271	/nfs/dbraw/zinc/68/92/71/524689271.db2.gz	VHGRIDZELFYMPR-GOSISDBHSA-N	-1	0	456.995	5.557	40	0		JKABRM
COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000020451972	525177227	/nfs/dbraw/zinc/17/72/27/525177227.db2.gz	NRLDUSMTXNXQDM-RUZDIDTESA-N	-1	0	466.603	5.322	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2Cl)cc1C	ZINC000020495031	525296827	/nfs/dbraw/zinc/29/68/27/525296827.db2.gz	WBJPRDOKGICEBW-QHCPKHFHSA-N	-1	0	469.006	5.565	40	0		JKABRM
COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000020456361	525349360	/nfs/dbraw/zinc/34/93/60/525349360.db2.gz	YAQCBVVSZCEEAC-NRFANRHFSA-N	-1	0	458.605	5.075	40	0		JKABRM
C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1	ZINC000044946288	525353726	/nfs/dbraw/zinc/35/37/26/525353726.db2.gz	SKELPFIZDGCUFQ-HXUWFJFHSA-N	-1	0	472.566	5.771	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000020460007	525910981	/nfs/dbraw/zinc/91/09/81/525910981.db2.gz	XTQBPYZUVWHIDK-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
Cc1ccc([C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1	ZINC000020456649	525967392	/nfs/dbraw/zinc/96/73/92/525967392.db2.gz	VYGKCSQFVJLXBT-HHHXNRCGSA-N	-1	0	470.594	5.624	40	0		JKABRM
Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc(-c4ccc(C(=O)[O-])cc4)s3)cs2)c1	ZINC000027913764	526248078	/nfs/dbraw/zinc/24/80/78/526248078.db2.gz	GLVVKHZAQSQQOT-UHFFFAOYSA-N	-1	0	492.622	6.686	40	0		JKABRM
O=C([O-])[C@H](Cc1c[nH]c2cccc(Cl)c12)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000044909915	526305004	/nfs/dbraw/zinc/30/50/04/526305004.db2.gz	XRXGWEBMYWNTCH-QHCPKHFHSA-N	-1	0	460.917	5.356	40	0		JKABRM
O=C([O-])[C@H](Cc1cccc(Oc2ccccc2)c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000044138215	526306212	/nfs/dbraw/zinc/30/62/12/526306212.db2.gz	ROKVTGPHDASKFJ-NDEPHWFRSA-N	-1	0	479.532	6.013	40	0		JKABRM
O=C([O-])c1cc(I)ccc1NC(=O)CSCc1ccc(Cl)cc1Cl	ZINC000020435860	526347469	/nfs/dbraw/zinc/34/74/69/526347469.db2.gz	COOLCYKITWKBIE-UHFFFAOYSA-N	-1	0	496.153	5.168	40	0		JKABRM
CCOc1ccccc1NC(=O)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21	ZINC000102915462	535518482	/nfs/dbraw/zinc/51/84/82/535518482.db2.gz	OJOOTGVNBJKFNB-LBNVMWSVSA-N	-1	0	493.515	5.157	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2C1	ZINC000248338810	574420916	/nfs/dbraw/zinc/42/09/16/574420916.db2.gz	RWNHLTKFBKYDOJ-KPUXVEBRSA-N	-1	0	488.709	5.177	40	0	endogenous,in-man	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)[C@@H](O)C[C@@]43C)[C@@H]2C1	ZINC000248338811	574420929	/nfs/dbraw/zinc/42/09/29/574420929.db2.gz	RWNHLTKFBKYDOJ-LXNKZMDTSA-N	-1	0	488.709	5.177	40	0	endogenous,in-man	JKABRM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H]5[C@H](C)[C@H](C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-]	ZINC000252516952	574421121	/nfs/dbraw/zinc/42/11/21/574421121.db2.gz	YJBVHJIKNLBFDX-PBECBXMISA-N	-1	0	498.748	7.660	40	0	endogenous,in-man	JKABRM
COc1cccc(N2C(=O)[C@@]3(c4ccccc4)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)c1	ZINC000002233419	554106512	/nfs/dbraw/zinc/10/65/12/554106512.db2.gz	SOTFIHHJHUBBKJ-PVTPYKNESA-N	-1	0	476.532	5.068	40	0		JKABRM
O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000002376695	554173748	/nfs/dbraw/zinc/17/37/48/554173748.db2.gz	WYEYBWIORLZCAK-IWVFXYMLSA-N	-1	0	464.496	5.199	40	0		JKABRM
O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(F)(F)F)c1	ZINC000002505588	554230266	/nfs/dbraw/zinc/23/02/66/554230266.db2.gz	YOGSOMNKKBEWAJ-JOCHJYFZSA-N	-1	0	455.432	5.760	40	0		JKABRM
O=C([O-])C[C@@H](Cc1ccccc1Br)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002504869	554230268	/nfs/dbraw/zinc/23/02/68/554230268.db2.gz	WLVUAXHMNMNOKU-QGZVFWFLSA-N	-1	0	480.358	5.374	40	0		JKABRM
O=C(c1cc(S(=O)(=O)Nc2ccccc2)c2ccccc2c1[O-])N(c1ccccc1)c1ccccc1	ZINC000002505885	554230624	/nfs/dbraw/zinc/23/06/24/554230624.db2.gz	SCQALXDTYPWHNP-UHFFFAOYSA-N	-1	0	494.572	6.325	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(CC(C)C)cc1	ZINC000002759690	554330951	/nfs/dbraw/zinc/33/09/51/554330951.db2.gz	AIHDAPMXABDLBI-WAGURGNTSA-N	-1	0	483.630	5.784	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1	ZINC000002764589	554332940	/nfs/dbraw/zinc/33/29/40/554332940.db2.gz	VDLQWSWYCJAKST-SEONNTABSA-N	-1	0	483.630	5.883	40	0		JKABRM
Cc1cc(Cl)ccc1-c1cccc([C@H](O)/C=C/[C@H]2CCC(=O)N2CCCCCCC(=O)[O-])c1	ZINC000003990871	554472260	/nfs/dbraw/zinc/47/22/60/554472260.db2.gz	LMJHPADNCZPRCN-JSHRXXPOSA-N	-1	0	470.009	5.931	40	0	in-vitro	JKABRM
CC(C)(C)OC(=O)N[C@@H](CSC(c1cccs1)(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000004983350	554484404	/nfs/dbraw/zinc/48/44/04/554484404.db2.gz	RXCZEEXWQDYEOW-FQEVSTJZSA-N	-1	0	469.628	5.751	40	0		JKABRM
CC(C)(C)[C@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1	ZINC000005957646	554499141	/nfs/dbraw/zinc/49/91/41/554499141.db2.gz	IKTVSAXCEBKIPT-KPWLDSHBSA-N	-1	0	470.569	5.699	40	0		JKABRM
CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cccc(C(=O)[O-])c4)c23)C1	ZINC000006075261	554502298	/nfs/dbraw/zinc/50/22/98/554502298.db2.gz	BAQXSBDCYVGHAI-CQSZACIVSA-N	-1	0	455.605	5.271	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc(/C=c3/sc4nc(-c5ccccc5)c(-c5ccccc5)n4c3=O)o2)c1	ZINC000008425615	554580417	/nfs/dbraw/zinc/58/04/17/554580417.db2.gz	BTNMBHJNDCNHIP-JJIBRWJFSA-N	-1	0	490.540	5.596	40	0		JKABRM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c(OC)cc1Cl	ZINC000008810150	554689500	/nfs/dbraw/zinc/68/95/00/554689500.db2.gz	XKDZRHAGYHFXOG-UHFFFAOYSA-N	-1	0	499.347	5.203	40	0		JKABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1	ZINC000008810139	554689507	/nfs/dbraw/zinc/68/95/07/554689507.db2.gz	ZQQRNFDETCFSFI-UHFFFAOYSA-N	-1	0	450.944	5.254	40	0		JKABRM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1	ZINC000008810256	554689602	/nfs/dbraw/zinc/68/96/02/554689602.db2.gz	HTOIRPULWMJQFU-UHFFFAOYSA-N	-1	0	469.321	5.194	40	0		JKABRM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c(OC)cc1Cl	ZINC000008810309	554690045	/nfs/dbraw/zinc/69/00/45/554690045.db2.gz	QPVRNKWWZGKGHZ-UHFFFAOYSA-N	-1	0	499.347	5.203	40	0		JKABRM
CC1=C[C@H](c2ccc(Cl)cc2)[C@](C(=O)[O-])(C(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)CC1	ZINC000008815574	554697045	/nfs/dbraw/zinc/69/70/45/554697045.db2.gz	BHBPHDUYYBUGKG-RNAHPLFWSA-N	-1	0	496.994	7.106	40	0		JKABRM
CC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccc(C(=O)[O-])c4)c4ccccc34)c2C1	ZINC000008834336	554732235	/nfs/dbraw/zinc/73/22/35/554732235.db2.gz	XWMSKPRDFBVKCW-KRWDZBQOSA-N	-1	0	477.582	6.236	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000008952017	554835437	/nfs/dbraw/zinc/83/54/37/554835437.db2.gz	MDZKJHQSJHYOHJ-PESADHOGSA-N	-1	0	472.710	6.204	40	0		JKABRM
CCCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3ccccc3c1)c1ccccc21	ZINC000008974108	554845491	/nfs/dbraw/zinc/84/54/91/554845491.db2.gz	LTRQQPWDOIDMLR-UHFFFAOYSA-N	-1	0	487.577	6.805	40	0		JKABRM
O=C([O-])c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000009064736	554883322	/nfs/dbraw/zinc/88/33/22/554883322.db2.gz	LGBNTHZCWFKWHS-PKNBQFBNSA-N	-1	0	461.326	5.478	40	0		JKABRM
O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]12c1ccccc1	ZINC000009076126	554887380	/nfs/dbraw/zinc/88/73/80/554887380.db2.gz	NGKKCMHSBRWVPL-GEBXHLAXSA-N	-1	0	480.951	5.713	40	0		JKABRM
O=C1N(c2ccc(Cl)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000009076125	554887387	/nfs/dbraw/zinc/88/73/87/554887387.db2.gz	NGKKCMHSBRWVPL-IWVFXYMLSA-N	-1	0	480.951	5.713	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1Cl	ZINC000009142401	554935635	/nfs/dbraw/zinc/93/56/35/554935635.db2.gz	LIECSVZVXMDGHN-JXMROGBWSA-N	-1	0	461.326	5.478	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000009260870	555035857	/nfs/dbraw/zinc/03/58/57/555035857.db2.gz	BEGAWGTWKCJRJP-WOJGMQOQSA-N	-1	0	461.923	5.072	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl	ZINC000009295935	555072412	/nfs/dbraw/zinc/07/24/12/555072412.db2.gz	SRBPNNWADWDULY-ZDLGFXPLSA-N	-1	0	460.294	6.193	40	0		JKABRM
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]4[C@]5(C)CCC[C@@](C)(C(=O)[O-])[C@@H]5CC[C@]34C=C2C(C)C)cc1	ZINC000009302043	555075023	/nfs/dbraw/zinc/07/50/23/555075023.db2.gz	YAHGOSRWKWIBRM-MTSZRRTJSA-N	-1	0	489.656	6.010	40	0		JKABRM
O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]12c1ccccc1	ZINC000009427358	555192354	/nfs/dbraw/zinc/19/23/54/555192354.db2.gz	WYEYBWIORLZCAK-HFASVGIHSA-N	-1	0	464.496	5.199	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c(C)n1S(=O)(=O)c1ccccc1	ZINC000013586024	555524241	/nfs/dbraw/zinc/52/42/41/555524241.db2.gz	UMUBRAZOPOLNSI-UHFFFAOYSA-N	-1	0	498.651	5.294	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)c1C	ZINC000019933097	555550315	/nfs/dbraw/zinc/55/03/15/555550315.db2.gz	PSWRDODJAQOULL-MRXNPFEDSA-N	-1	0	460.958	5.388	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)c1C	ZINC000013647107	555551431	/nfs/dbraw/zinc/55/14/31/555551431.db2.gz	KEKWPCYLBIDHDJ-UHFFFAOYSA-N	-1	0	454.979	5.351	40	0		JKABRM
CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000013668505	555557423	/nfs/dbraw/zinc/55/74/23/555557423.db2.gz	UEIKKAURZZCECX-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2Cl)cc1C	ZINC000013672395	555563936	/nfs/dbraw/zinc/56/39/36/555563936.db2.gz	BXEMTYVKAMORHW-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(C(C)(C)C)cc1	ZINC000013672476	555564258	/nfs/dbraw/zinc/56/42/58/555564258.db2.gz	VOPHLMPJAODHKJ-QGZVFWFLSA-N	-1	0	471.022	5.929	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000009972406	555571711	/nfs/dbraw/zinc/57/17/11/555571711.db2.gz	FZPHFDIZKZVTSC-GGNJANJASA-N	-1	0	479.385	5.011	40	0		JKABRM
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013682221	555575567	/nfs/dbraw/zinc/57/55/67/555575567.db2.gz	MYRGTGMYVHBJFW-UHFFFAOYSA-N	-1	0	450.541	5.594	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1Cl	ZINC000020039272	555612764	/nfs/dbraw/zinc/61/27/64/555612764.db2.gz	WVKGADVFWXUTIE-UHFFFAOYSA-N	-1	0	463.386	5.375	40	0		JKABRM
COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000020042521	555614444	/nfs/dbraw/zinc/61/44/44/555614444.db2.gz	RHYSGOQCWLFOEE-QGZVFWFLSA-N	-1	0	472.994	5.257	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000020042962	555614708	/nfs/dbraw/zinc/61/47/08/555614708.db2.gz	WWPZVWAEIXNYDG-UHFFFAOYSA-N	-1	0	475.035	6.122	40	0		JKABRM
CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000013777489	555617146	/nfs/dbraw/zinc/61/71/46/555617146.db2.gz	MEHNVWVGHSGVRX-SGNDLWITSA-N	-1	0	460.961	5.689	40	0		JKABRM
Cc1ccc([C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc2)cc1	ZINC000020050920	555620083	/nfs/dbraw/zinc/62/00/83/555620083.db2.gz	YIMGTTAWCUDOQT-AREMUKBSSA-N	-1	0	456.567	5.315	40	0		JKABRM
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000010110762	555620836	/nfs/dbraw/zinc/62/08/36/555620836.db2.gz	RDNUHXBDMKHGDD-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
CCOc1ccccc1CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1	ZINC000010110998	555621890	/nfs/dbraw/zinc/62/18/90/555621890.db2.gz	IFWRHNJIYXUEHM-UHFFFAOYSA-N	-1	0	487.021	5.211	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	ZINC000020061161	555624023	/nfs/dbraw/zinc/62/40/23/555624023.db2.gz	NYHRPQBUCVHWHP-LFYBBSHMSA-N	-1	0	491.396	5.763	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c(C)c1	ZINC000010112012	555624204	/nfs/dbraw/zinc/62/42/04/555624204.db2.gz	GUYOEORHNODXCU-LJQANCHMSA-N	-1	0	499.076	6.546	40	0		JKABRM
CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1	ZINC000010112194	555625059	/nfs/dbraw/zinc/62/50/59/555625059.db2.gz	FUVYNDBELAPPCJ-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000010112413	555625719	/nfs/dbraw/zinc/62/57/19/555625719.db2.gz	OJQYGOFFIGQLCI-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)c1C	ZINC000010112467	555625786	/nfs/dbraw/zinc/62/57/86/555625786.db2.gz	CRKZAGOXFRBHLD-MRXNPFEDSA-N	-1	0	454.979	5.349	40	0		JKABRM
Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(C)c1	ZINC000020105844	555639643	/nfs/dbraw/zinc/63/96/43/555639643.db2.gz	INQOURXAFSWKHQ-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1	ZINC000020108777	555643944	/nfs/dbraw/zinc/64/39/44/555643944.db2.gz	PJMQASYGIKVISC-UHFFFAOYSA-N	-1	0	498.608	5.088	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000020150931	555667647	/nfs/dbraw/zinc/66/76/47/555667647.db2.gz	JKIKIKNNQRFDFW-SOFGYWHQSA-N	-1	0	466.704	6.266	40	0		JKABRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(Cl)cc1Cl	ZINC000020150926	555667707	/nfs/dbraw/zinc/66/77/07/555667707.db2.gz	LLOYJPGGEAKMGK-FNORWQNLSA-N	-1	0	471.123	6.910	40	0		JKABRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(Cl)cc1Cl	ZINC000020151065	555667949	/nfs/dbraw/zinc/66/79/49/555667949.db2.gz	QILCKEAZWGTOSQ-FNORWQNLSA-N	-1	0	470.230	6.622	40	0		JKABRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(Cl)cc1Cl	ZINC000020151104	555667958	/nfs/dbraw/zinc/66/79/58/555667958.db2.gz	KYOCKSYOAAHHLB-DUXPYHPUSA-N	-1	0	471.123	6.910	40	0		JKABRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000020152432	555670172	/nfs/dbraw/zinc/67/01/72/555670172.db2.gz	RMQPANPZZRFPSD-UHFFFAOYSA-N	-1	0	465.314	5.087	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)cc1C	ZINC000014154033	555710646	/nfs/dbraw/zinc/71/06/46/555710646.db2.gz	CMWWTXLKSZXFEX-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2Cl)c1	ZINC000014154109	555711019	/nfs/dbraw/zinc/71/10/19/555711019.db2.gz	KTHUIPRXQCYZOQ-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1	ZINC000014154493	555711567	/nfs/dbraw/zinc/71/15/67/555711567.db2.gz	QMZKPPUKYRZGLP-UHFFFAOYSA-N	-1	0	488.634	6.340	40	0		JKABRM
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014154623	555711790	/nfs/dbraw/zinc/71/17/90/555711790.db2.gz	BEDVPNFJMIYLNM-UHFFFAOYSA-N	-1	0	489.302	6.065	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCSc2ccc(Cl)cc2)ccc1Cl	ZINC000014154712	555712148	/nfs/dbraw/zinc/71/21/48/555712148.db2.gz	ZDBSHBONNNBVAB-UHFFFAOYSA-N	-1	0	495.453	5.625	40	0		JKABRM
COC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)ccc1Cl	ZINC000014155066	555712820	/nfs/dbraw/zinc/71/28/20/555712820.db2.gz	WPKUXTIVJZYBHF-UHFFFAOYSA-N	-1	0	493.368	5.142	40	0		JKABRM
CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000014155217	555713095	/nfs/dbraw/zinc/71/30/95/555713095.db2.gz	OOKKTQMTANHBFI-UHFFFAOYSA-N	-1	0	456.995	5.826	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)cc1C	ZINC000014155235	555713118	/nfs/dbraw/zinc/71/31/18/555713118.db2.gz	VOTLFIIZUVGBRQ-UHFFFAOYSA-N	-1	0	481.083	5.553	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2Cl)c1	ZINC000014155722	555714290	/nfs/dbraw/zinc/71/42/90/555714290.db2.gz	OGHRXEZIWJNQEV-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
O=C([O-])c1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	ZINC000020239663	555733963	/nfs/dbraw/zinc/73/39/63/555733963.db2.gz	IFRBAKQTHCGQEX-UHFFFAOYSA-N	-1	0	486.549	5.033	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000014269360	555758810	/nfs/dbraw/zinc/75/88/10/555758810.db2.gz	JRYWGKLKKSMKMN-UHFFFAOYSA-N	-1	0	465.314	5.087	40	0		JKABRM
O=C([O-])c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000014270130	555761170	/nfs/dbraw/zinc/76/11/70/555761170.db2.gz	FAFJIXXGQJPMQM-SOFGYWHQSA-N	-1	0	461.326	5.478	40	0		JKABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(-c2ccccc2)cc1	ZINC000014273992	555775364	/nfs/dbraw/zinc/77/53/64/555775364.db2.gz	XOABJSXIINERRY-UHFFFAOYSA-N	-1	0	473.627	5.058	40	0		JKABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl	ZINC000014274002	555775365	/nfs/dbraw/zinc/77/53/65/555775365.db2.gz	CIESUXKKHFSOKA-PKNBQFBNSA-N	-1	0	492.457	5.098	40	0		JKABRM
Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cccc1C(=O)[O-]	ZINC000014274519	555777083	/nfs/dbraw/zinc/77/70/83/555777083.db2.gz	JMJKFWWBPYHHCT-PKNBQFBNSA-N	-1	0	475.353	5.786	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl	ZINC000014274592	555777327	/nfs/dbraw/zinc/77/73/27/555777327.db2.gz	JGAIUYGMQCPLMR-XBXARRHUSA-N	-1	0	495.771	6.131	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014274590	555777369	/nfs/dbraw/zinc/77/73/69/555777369.db2.gz	OELHXSJTRFOWPD-WEVVVXLNSA-N	-1	0	491.352	5.487	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1Br	ZINC000014413342	555812621	/nfs/dbraw/zinc/81/26/21/555812621.db2.gz	HADNXYQLBRKWJC-UHFFFAOYSA-N	-1	0	468.756	5.704	40	0		JKABRM
CCCCOc1ccc2nc([N-][C@](NC(=O)CCCC)(C(=O)OCC)C(F)(F)F)sc2c1	ZINC000015277001	555892568	/nfs/dbraw/zinc/89/25/68/555892568.db2.gz	HAVGMSGQNGLWNJ-HXUWFJFHSA-N	-1	0	475.533	5.015	40	0		JKABRM
Cc1ccc(C(=O)[C@@H](C)[C@H]2c3cc(Br)ccc3OC(=O)C2=C([O-])c2ccccc2)cc1	ZINC000015306243	555895002	/nfs/dbraw/zinc/89/50/02/555895002.db2.gz	WFAVJZATFYOORT-GMWOSMDTSA-N	-1	0	477.354	5.778	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1Cl	ZINC000022706003	555943227	/nfs/dbraw/zinc/94/32/27/555943227.db2.gz	WTCCMDBDLPTBCW-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C([O-])c1ccc2nc(N3C(=O)/C(=C/C=C/c4ccccc4)N=C3c3ccccc3)sc2c1	ZINC000012375766	555962839	/nfs/dbraw/zinc/96/28/39/555962839.db2.gz	AZXDZAYFTYXEFZ-VIBAAIGISA-N	-1	0	451.507	5.385	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000012656787	556099354	/nfs/dbraw/zinc/09/93/54/556099354.db2.gz	JKLISIRFYWXLQG-CIFLVUEOSA-N	-1	0	458.727	7.314	40	0	biogenic	JKABRM
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]13	ZINC000012659574	556100181	/nfs/dbraw/zinc/10/01/81/556100181.db2.gz	JZCAMJGYCFMTGT-RBSGYFCJSA-N	-1	0	491.628	5.407	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2cccc(O)c2)C(=O)[C@H]13	ZINC000012659576	556100452	/nfs/dbraw/zinc/10/04/52/556100452.db2.gz	JZCAMJGYCFMTGT-LKVDQOIUSA-N	-1	0	491.628	5.407	40	0		JKABRM
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCC12CC3CC(CC(C3)C1)C2	ZINC000016137584	556126837	/nfs/dbraw/zinc/12/68/37/556126837.db2.gz	HVGIJKXJKAWGSG-UHFFFAOYSA-N	-1	0	452.161	6.372	40	0		JKABRM
Cc1ccc(N2C(=O)C(=O)[C@](C(=O)[O-])(C(c3ccccc3)c3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000016292850	556133866	/nfs/dbraw/zinc/13/38/66/556133866.db2.gz	NPFKNCOPJQPVNK-DHIFEGFHSA-N	-1	0	475.544	5.555	40	0		JKABRM
Cc1ccc(N2C(=O)C(=O)[C@@](C(=O)[O-])(C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000016292848	556133888	/nfs/dbraw/zinc/13/38/88/556133888.db2.gz	NPFKNCOPJQPVNK-DLFZDVPBSA-N	-1	0	475.544	5.555	40	0		JKABRM
Cc1ccc(N2C(=O)C(=O)[C@](C(=O)[O-])(C(c3ccccc3)c3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000016292852	556133907	/nfs/dbraw/zinc/13/39/07/556133907.db2.gz	NPFKNCOPJQPVNK-JOMNFKBKSA-N	-1	0	475.544	5.555	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1	ZINC000016429507	556138905	/nfs/dbraw/zinc/13/89/05/556138905.db2.gz	GSICPKJMQQDGMM-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl	ZINC000016525289	556142078	/nfs/dbraw/zinc/14/20/78/556142078.db2.gz	CIMDSWBBBBNPBH-UHFFFAOYSA-N	-1	0	469.769	5.142	40	0		JKABRM
O=[P@@]([O-])(O)[C@@H](NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	ZINC000027987271	556310890	/nfs/dbraw/zinc/31/08/90/556310890.db2.gz	JNJYLQHGKLUTIX-GDLZYMKVSA-N	-1	0	495.519	6.172	40	0		JKABRM
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc2N1C(=O)c1ccccc1	ZINC000028207135	556317809	/nfs/dbraw/zinc/31/78/09/556317809.db2.gz	JJDHBCXFQLRRTK-FQEVSTJZSA-N	-1	0	484.577	5.871	40	0		JKABRM
O=C([O-])c1cc(/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccc(Br)cc21	ZINC000028356853	556332346	/nfs/dbraw/zinc/33/23/46/556332346.db2.gz	YYUKVZCJZUWOSZ-ONEGZZNKSA-N	-1	0	489.152	7.433	40	0		JKABRM
Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(C)c1	ZINC000030751319	556371238	/nfs/dbraw/zinc/37/12/38/556371238.db2.gz	PYLTWWCVNHCGQK-IBGZPJMESA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)cc1C	ZINC000030857675	556380603	/nfs/dbraw/zinc/38/06/03/556380603.db2.gz	HPQZZTWDRGVJSW-MRXNPFEDSA-N	-1	0	460.958	5.388	40	0		JKABRM
CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000030863112	556382561	/nfs/dbraw/zinc/38/25/61/556382561.db2.gz	JVTVKNNKWAQUAH-XMMPIXPASA-N	-1	0	482.602	5.217	40	0		JKABRM
Cc1nc([N-]c2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000019819570	556388551	/nfs/dbraw/zinc/38/85/51/556388551.db2.gz	FDLMYZXNOHOFKS-UHFFFAOYSA-N	-1	0	479.565	6.697	40	0		JKABRM
CC(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116384	556423248	/nfs/dbraw/zinc/42/32/48/556423248.db2.gz	ZZNHYDPUKTUCDL-UHFFFAOYSA-N	-1	0	481.346	6.104	40	0		JKABRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cc(Cl)ccc1Cl	ZINC000032116470	556423599	/nfs/dbraw/zinc/42/35/99/556423599.db2.gz	SCMCEQBBLROEFJ-UHFFFAOYSA-N	-1	0	499.011	5.351	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1	ZINC000032116438	556423644	/nfs/dbraw/zinc/42/36/44/556423644.db2.gz	MSUFWOCVWYBMRP-UHFFFAOYSA-N	-1	0	486.229	5.342	40	0		JKABRM
O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116425	556423688	/nfs/dbraw/zinc/42/36/88/556423688.db2.gz	WHBKICIMLLAVNT-UHFFFAOYSA-N	-1	0	482.359	5.019	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1sc2ccccc2c1Cl	ZINC000032116512	556423817	/nfs/dbraw/zinc/42/38/17/556423817.db2.gz	RNVVECYHLCTQJT-UHFFFAOYSA-N	-1	0	499.773	7.083	40	0		JKABRM
O=C(Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cc(Cl)ccc1Cl	ZINC000032116530	556423851	/nfs/dbraw/zinc/42/38/51/556423851.db2.gz	LAFQGOSMOVTRCH-UHFFFAOYSA-N	-1	0	478.129	6.522	40	0		JKABRM
Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Br)c([O-])c(Br)c2)c1	ZINC000032116558	556424262	/nfs/dbraw/zinc/42/42/62/556424262.db2.gz	HARZBDKYGXZXQK-UHFFFAOYSA-N	-1	0	457.162	5.367	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1sc2ccccc2c1Cl	ZINC000032116566	556424296	/nfs/dbraw/zinc/42/42/96/556424296.db2.gz	RYVULPJNFYMVFO-UHFFFAOYSA-N	-1	0	461.562	6.038	40	0		JKABRM
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116632	556424468	/nfs/dbraw/zinc/42/44/68/556424468.db2.gz	NLOUANFCCNPLLI-CQSZACIVSA-N	-1	0	481.346	6.393	40	0		JKABRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cccc(COc2ccccc2)c1	ZINC000032116594	556424479	/nfs/dbraw/zinc/42/44/79/556424479.db2.gz	MKNGHNGTHRHBLF-UHFFFAOYSA-N	-1	0	477.152	5.749	40	0		JKABRM
O=C(COc1cccc2ccccc21)Nc1cc(Br)c([O-])c(Br)c1	ZINC000032116637	556424500	/nfs/dbraw/zinc/42/45/00/556424500.db2.gz	ZEHYDSZJPZTERG-UHFFFAOYSA-N	-1	0	451.114	5.088	40	0		JKABRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccc(Cl)cc1Cl	ZINC000032116709	556424808	/nfs/dbraw/zinc/42/48/08/556424808.db2.gz	WGMIAIIZXORUTH-UHFFFAOYSA-N	-1	0	499.011	5.351	40	0		JKABRM
COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116706	556424834	/nfs/dbraw/zinc/42/48/34/556424834.db2.gz	JCNJDAMRABXGBN-UHFFFAOYSA-N	-1	0	473.710	5.877	40	0		JKABRM
CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1	ZINC000032116758	556425107	/nfs/dbraw/zinc/42/51/07/556425107.db2.gz	NKVJFFXHVUCTSR-VMPITWQZSA-N	-1	0	498.240	5.567	40	0		JKABRM
COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116788	556425139	/nfs/dbraw/zinc/42/51/39/556425139.db2.gz	ZVPMUZQCELJBRL-UHFFFAOYSA-N	-1	0	489.325	6.377	40	0		JKABRM
O=C(NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccc(F)cc1	ZINC000032116806	556425476	/nfs/dbraw/zinc/42/54/76/556425476.db2.gz	POTKPFKYSZKSQB-UHFFFAOYSA-N	-1	0	486.322	5.229	40	0		JKABRM
O=C(COc1ccc(C2CCCCC2)cc1)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000032119080	556426003	/nfs/dbraw/zinc/42/60/03/556426003.db2.gz	OUPIJHZQEJELJX-UHFFFAOYSA-N	-1	0	453.391	5.639	40	0		JKABRM
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O	ZINC000245377361	560037010	/nfs/dbraw/zinc/03/70/10/560037010.db2.gz	JZFSMVXQUWRSIW-LFGIAVEVSA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
CC(=O)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12	ZINC000253500931	560038961	/nfs/dbraw/zinc/03/89/61/560038961.db2.gz	RVMPLOSJMIQORE-NHFJXPBSSA-N	-1	0	458.683	6.102	40	0	biogenic,in-vitro	JKABRM
CC1=C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1	ZINC000072320929	560077160	/nfs/dbraw/zinc/07/71/60/560077160.db2.gz	HEECRNAFWPZGGI-ONTIZHBOSA-N	-1	0	483.628	5.641	40	0	biogenic,in-vitro	JKABRM
CC1=C[C@@H](CNC(=O)CC2(CC(=O)[O-])CCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1	ZINC000072320911	560077896	/nfs/dbraw/zinc/07/78/96/560077896.db2.gz	LNMGTPBFSWSSCH-FKBYEOEOSA-N	-1	0	465.638	5.501	40	0	biogenic,in-vitro	JKABRM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-]	ZINC000072320123	560077914	/nfs/dbraw/zinc/07/79/14/560077914.db2.gz	IAWGZKRQDHPFCZ-HHGGCAHTSA-N	-1	0	498.748	7.804	40	0	biogenic,in-vitro	JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-]	ZINC000072320125	560077916	/nfs/dbraw/zinc/07/79/16/560077916.db2.gz	IAWGZKRQDHPFCZ-QXNDYJJHSA-N	-1	0	498.748	7.804	40	0	biogenic,in-vitro	JKABRM
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]2[C@@]1(C)C(=O)[O-]	ZINC000072320126	560077921	/nfs/dbraw/zinc/07/79/21/560077921.db2.gz	IAWGZKRQDHPFCZ-HVHSMPBYSA-N	-1	0	498.748	7.804	40	0	biogenic,in-vitro	JKABRM
C/C(=C/CC[C@H](C)[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-]	ZINC000071404285	560078259	/nfs/dbraw/zinc/07/82/59/560078259.db2.gz	HQRDPIWOOJDSNU-PQXGFECMSA-N	-1	0	469.710	7.869	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000064527839	560078552	/nfs/dbraw/zinc/07/85/52/560078552.db2.gz	YLHQFGOOMKJFLP-LTFXOGOQSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
COc1c(Cl)cc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1Cl	ZINC000059843189	569607845	/nfs/dbraw/zinc/60/78/45/569607845.db2.gz	DAGBNDONUMNTMI-UHFFFAOYSA-N	-1	0	468.145	5.134	40	0		JKABRM
CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\NC(=O)[N-]C3=O)c2-c2ccccc2)cc1	ZINC000059565444	569606946	/nfs/dbraw/zinc/60/69/46/569606946.db2.gz	YRUWQDLXBFDMDD-ULJHMMPZSA-N	-1	0	477.520	5.168	40	0		JKABRM
CN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000059599978	569607221	/nfs/dbraw/zinc/60/72/21/569607221.db2.gz	OCMIVMAGBHITPA-NAKRTNOJSA-N	-1	0	489.509	5.106	40	0		JKABRM
Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000062715903	569614415	/nfs/dbraw/zinc/61/44/15/569614415.db2.gz	FYLDOMZDIPJLFK-UDFXALJUSA-N	-1	0	494.385	5.162	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Br)c1O[C@H](C)CC	ZINC000033385180	569625532	/nfs/dbraw/zinc/62/55/32/569625532.db2.gz	ZECJWIJBYWLHCJ-BPKVKKHESA-N	-1	0	491.338	5.120	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2Cl)c1	ZINC000033397970	569625720	/nfs/dbraw/zinc/62/57/20/569625720.db2.gz	HFLMMFIVMGFBLG-UHFFFAOYSA-N	-1	0	450.947	5.855	40	0		JKABRM
CCCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCCC)c(OC)c3)C2=O)cc1OC	ZINC000033406960	569625980	/nfs/dbraw/zinc/62/59/80/569625980.db2.gz	ALYYLONSTCWIPR-RGEXLXHISA-N	-1	0	482.533	5.178	40	0		JKABRM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O	ZINC000033412445	569625999	/nfs/dbraw/zinc/62/59/99/569625999.db2.gz	DKCIAHUQWZRFSZ-MPMPPSQCSA-N	-1	0	456.926	5.595	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3cccc4ccccc43)C(=O)[N-]C2=S)cc1	ZINC000033451886	569626485	/nfs/dbraw/zinc/62/64/85/569626485.db2.gz	XBEOKADTWJSJJW-NLRVBDNBSA-N	-1	0	492.600	6.653	40	0		JKABRM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCc4cccc5ccccc54)cc3)C2=O)cc1	ZINC000033527392	569627280	/nfs/dbraw/zinc/62/72/80/569627280.db2.gz	ZIWWCZAYZYLVHW-YZSQISJMSA-N	-1	0	478.504	5.934	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCC	ZINC000033579624	569628217	/nfs/dbraw/zinc/62/82/17/569628217.db2.gz	XVBDHMAPQFAEDQ-XSFVSMFZSA-N	-1	0	450.560	5.056	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1	ZINC000033596408	569628374	/nfs/dbraw/zinc/62/83/74/569628374.db2.gz	QTCNHZQLJYOVEN-LPYMAVHISA-N	-1	0	471.900	5.139	40	0		JKABRM
CCCCCCOc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C(=O)OC)cc2)C1=O	ZINC000033614245	569628729	/nfs/dbraw/zinc/62/87/29/569628729.db2.gz	XBARWCGWJBBGNQ-HKWRFOASSA-N	-1	0	484.936	5.592	40	0		JKABRM
CCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O	ZINC000033626104	569629110	/nfs/dbraw/zinc/62/91/10/569629110.db2.gz	OCLHVFSMULOXMN-GZTJUZNOSA-N	-1	0	491.769	6.097	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2Cl)c1	ZINC000033632254	569629184	/nfs/dbraw/zinc/62/91/84/569629184.db2.gz	RTPVZTFNPDOCMS-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
O=C([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1	ZINC000033648972	569629525	/nfs/dbraw/zinc/62/95/25/569629525.db2.gz	TZAFAQPOGFAQPB-DAFODLJHSA-N	-1	0	480.967	6.195	40	0		JKABRM
Cc1ccc(C(=O)Oc2ccccc2C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000033663080	569630231	/nfs/dbraw/zinc/63/02/31/569630231.db2.gz	AEGYDZUPBUBCBO-MOSHPQCFSA-N	-1	0	494.425	5.740	40	0		JKABRM
CCCCCCOc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O	ZINC000033763899	569633968	/nfs/dbraw/zinc/63/39/68/569633968.db2.gz	WQROKFUIBGSGMX-RGEXLXHISA-N	-1	0	487.350	5.621	40	0		JKABRM
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)[O-]	ZINC000064859520	569639165	/nfs/dbraw/zinc/63/91/65/569639165.db2.gz	HIKGLCYKBLODNY-KUBAVDMBSA-N	-1	0	468.766	10.450	40	0	in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2[C@H]1C	ZINC000034064691	569639591	/nfs/dbraw/zinc/63/95/91/569639591.db2.gz	MUCRYNWJQNHDJH-OWZGCDJJSA-N	-1	0	454.695	7.298	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)c(Sc2ccccc2)o1	ZINC000034689584	569645699	/nfs/dbraw/zinc/64/56/99/569645699.db2.gz	BLASOMNRRDZLGF-OQLLNIDSSA-N	-1	0	473.304	5.289	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)[N-]C2=S)cc1	ZINC000034695395	569647415	/nfs/dbraw/zinc/64/74/15/569647415.db2.gz	WDHAWSZDZCRVEG-HZHRSRAPSA-N	-1	0	487.537	5.408	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OC	ZINC000034701083	569649181	/nfs/dbraw/zinc/64/91/81/569649181.db2.gz	KEDCMBWRBZJAPJ-MHWRWJLKSA-N	-1	0	489.391	5.090	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2Cl)c1	ZINC000034713685	569651477	/nfs/dbraw/zinc/65/14/77/569651477.db2.gz	WXSRGOAYPJMISS-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
CCCCCCOc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000034745696	569655554	/nfs/dbraw/zinc/65/55/54/569655554.db2.gz	GPTZAEUIURHGGI-PDGQHHTCSA-N	-1	0	491.371	6.468	40	0		JKABRM
CC[C@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	ZINC000034763862	569658148	/nfs/dbraw/zinc/65/81/48/569658148.db2.gz	NODPQVGIEWDIED-NGPAHMQLSA-N	-1	0	497.762	6.339	40	0		JKABRM
COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)[O-])cccc2[C@H]2c3ccccc3C[C@H]21	ZINC000034764724	569658256	/nfs/dbraw/zinc/65/82/56/569658256.db2.gz	PEKIUSDOQXANNQ-LSWJPFSZSA-N	-1	0	450.332	5.627	40	0		JKABRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)C2=O)cc1	ZINC000034839338	569666703	/nfs/dbraw/zinc/66/67/03/569666703.db2.gz	IDKCGQIELURGMT-BGARDKSCSA-N	-1	0	472.925	5.431	40	0		JKABRM
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000034839623	569666879	/nfs/dbraw/zinc/66/68/79/569666879.db2.gz	GIKBEMWJHMVMCG-LPYMAVHISA-N	-1	0	490.487	5.237	40	0		JKABRM
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O	ZINC000034846652	569666929	/nfs/dbraw/zinc/66/69/29/569666929.db2.gz	CYNCFAIKMICCOV-HWQJWEFDSA-N	-1	0	458.605	5.567	40	0		JKABRM
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O	ZINC000034846650	569666961	/nfs/dbraw/zinc/66/69/61/569666961.db2.gz	CYNCFAIKMICCOV-MBNTZHJCSA-N	-1	0	458.605	5.567	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)c1	ZINC000035074331	569674239	/nfs/dbraw/zinc/67/42/39/569674239.db2.gz	GXFLJYVOSNIDHV-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
O=C([O-])c1cc(Br)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1	ZINC000035107893	569675208	/nfs/dbraw/zinc/67/52/08/569675208.db2.gz	FJCSHOUDUGLZBA-UHFFFAOYSA-N	-1	0	497.954	5.234	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1c(OCc2ccccc2Cl)ccc2ccccc21	ZINC000035177931	569677542	/nfs/dbraw/zinc/67/75/42/569677542.db2.gz	ZZWISGJYNBDSFN-HYARGMPZSA-N	-1	0	486.911	6.168	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1	ZINC000035253576	569678788	/nfs/dbraw/zinc/67/87/88/569678788.db2.gz	FTVVYKDJWOQNSW-UDWIEESQSA-N	-1	0	481.302	5.123	40	0		JKABRM
CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C	ZINC000070708145	569695922	/nfs/dbraw/zinc/69/59/22/569695922.db2.gz	XINFXFISYDXMAU-AUQLTCFDSA-N	-1	0	479.661	6.603	40	0	biogenic	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1	ZINC000071789661	569698504	/nfs/dbraw/zinc/69/85/04/569698504.db2.gz	PGOYMURMZNDHNS-YVVXJSSPSA-N	-1	0	472.710	6.206	40	0	in-vitro	JKABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2cc(C(C)C)c(C)cc2OC)sc2c1CCCC2	ZINC000072414578	569704014	/nfs/dbraw/zinc/70/40/14/569704014.db2.gz	YFHOHSCPNVFNBE-UHFFFAOYSA-N	-1	0	451.610	5.045	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000035570619	569704902	/nfs/dbraw/zinc/70/49/02/569704902.db2.gz	KAVKWHJDPYCYQA-LZGWYTSBSA-N	-1	0	479.705	7.575	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000035570627	569704964	/nfs/dbraw/zinc/70/49/64/569704964.db2.gz	KAVKWHJDPYCYQA-PZEVSAETSA-N	-1	0	479.705	7.575	40	0		JKABRM
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000035629890	569705686	/nfs/dbraw/zinc/70/56/86/569705686.db2.gz	CGPPZFQDBBUTIE-HOYKHHGWSA-N	-1	0	494.588	5.016	40	0		JKABRM
COc1c(=O)cc2oc(-c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3)c(OC)c(O)c-2c1[O-]	ZINC000084713610	569709615	/nfs/dbraw/zinc/70/96/15/569709615.db2.gz	OAZONEZZBRWOEP-UHFFFAOYSA-N	-1	0	466.530	5.611	40	0	biogenic	JKABRM
O=C([O-])c1ccc(Br)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1	ZINC000085342828	569709799	/nfs/dbraw/zinc/70/97/99/569709799.db2.gz	DMSZABZRJGWKPL-UHFFFAOYSA-N	-1	0	463.740	5.081	40	0		JKABRM
CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])C[C@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12	ZINC000087493049	569717824	/nfs/dbraw/zinc/71/78/24/569717824.db2.gz	JTBGJQZJEYVBJZ-TXBGRORVSA-N	-1	0	472.710	6.204	40	0		JKABRM
COc1ccc2nc(Cl)c([C@H]3CC(c4cccc(Cl)c4)=NN3C(=O)CCC(=O)[O-])cc2c1	ZINC000095532172	569725466	/nfs/dbraw/zinc/72/54/66/569725466.db2.gz	HBEGKXCQIZWWOL-HXUWFJFHSA-N	-1	0	472.328	5.093	40	0		JKABRM
O=C([O-])CCCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1cccs1	ZINC000095532137	569725500	/nfs/dbraw/zinc/72/55/00/569725500.db2.gz	DMCGYMMVFUOIRG-QHCPKHFHSA-N	-1	0	484.581	5.533	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000095949905	569731448	/nfs/dbraw/zinc/73/14/48/569731448.db2.gz	RZAKJRHDNDQBMI-LZGWYTSBSA-N	-1	0	478.721	7.310	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1	ZINC000096022593	569731838	/nfs/dbraw/zinc/73/18/38/569731838.db2.gz	HFGXQPZPILEJNV-MXXWSYFGSA-N	-1	0	472.491	6.100	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000100473639	569761844	/nfs/dbraw/zinc/76/18/44/569761844.db2.gz	JXSVIVRDWWRQRT-GPSYHJQESA-N	-1	0	488.709	5.033	40	0	biogenic,in-vitro	JKABRM
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(O)cc2)C(=O)[C@@H]13	ZINC000036673778	569779891	/nfs/dbraw/zinc/77/98/91/569779891.db2.gz	FYZFYVOGEUZQNZ-GNSBNEHLSA-N	-1	0	491.628	5.407	40	0		JKABRM
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1	ZINC000101057122	569780672	/nfs/dbraw/zinc/78/06/72/569780672.db2.gz	NVTAQODLHBKFID-VXNXHJTFSA-N	-1	0	497.378	5.833	40	0		JKABRM
CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102736038	569818628	/nfs/dbraw/zinc/81/86/28/569818628.db2.gz	KGTCDSBYSHPIRU-KMDXXIMOSA-N	-1	0	460.961	5.689	40	0		JKABRM
Cc1ccc(C)c(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)c1	ZINC000102941057	569829623	/nfs/dbraw/zinc/82/96/23/569829623.db2.gz	KDVUAQJLFSKMCS-LSYYVWMOSA-N	-1	0	477.516	5.375	40	0		JKABRM
Cc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102964401	569830267	/nfs/dbraw/zinc/83/02/67/569830267.db2.gz	YRDZXMGIXPRCGR-GJZUVCINSA-N	-1	0	473.500	5.176	40	0		JKABRM
O=C(Nc1cccc(Cl)c1)C(=O)C(=C([O-])c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21	ZINC000102968376	569830309	/nfs/dbraw/zinc/83/03/09/569830309.db2.gz	WWCNKUDKBYRCCD-BVAGGSTKSA-N	-1	0	483.907	5.412	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(CCc2ccccc2)n1	ZINC000103298850	569834430	/nfs/dbraw/zinc/83/44/30/569834430.db2.gz	OHEDCOATVHPDOW-UHFFFAOYSA-N	-1	0	484.596	6.274	40	0		JKABRM
CCOC(=O)C1=C(C)NC(SCc2ccc(C(=O)[O-])cc2)=N[C@H]1c1c(OC)ccc2ccccc21	ZINC000103828980	569838352	/nfs/dbraw/zinc/83/83/52/569838352.db2.gz	IKDONLQYMGIXEN-XMMPIXPASA-N	-1	0	490.581	5.317	40	0		JKABRM
CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]13	ZINC000105368939	569852977	/nfs/dbraw/zinc/85/29/77/569852977.db2.gz	XFIWQQAILDPLJC-UFKBGXFVSA-N	-1	0	475.629	5.702	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1	ZINC000106699036	569854739	/nfs/dbraw/zinc/85/47/39/569854739.db2.gz	TZGTVFKANLGOGL-GRSHGNNSSA-N	-1	0	474.321	6.188	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1	ZINC000106700684	569854813	/nfs/dbraw/zinc/85/48/13/569854813.db2.gz	VZTSIWZOPWKNSP-JMIUGGIZSA-N	-1	0	488.348	6.497	40	0		JKABRM
Cc1ccc(CN2C(=O)S/C(=C\c3cc(Br)cc(Br)c3[O-])C2=O)cc1	ZINC000106703556	569854846	/nfs/dbraw/zinc/85/48/46/569854846.db2.gz	GIXKELUTOVOPEL-CHHVJCJISA-N	-1	0	483.181	5.462	40	0		JKABRM
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000144211056	569867715	/nfs/dbraw/zinc/86/77/15/569867715.db2.gz	UTIJJQMEQZRXIF-JAIQZWGSSA-N	-1	0	452.919	5.687	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1)C(=O)[O-]	ZINC000211510478	569876163	/nfs/dbraw/zinc/87/61/63/569876163.db2.gz	ONYDBPOGSIBDOP-TVXVBNPNSA-N	-1	0	480.973	5.782	40	0		JKABRM
CCc1cccc(C)c1NC(=O)[C@H](Sc1ccc(NC(=O)/C=C(\C)C(=O)[O-])cc1)c1ccccc1	ZINC000211523710	569876173	/nfs/dbraw/zinc/87/61/73/569876173.db2.gz	RMPVZHCILIJPKV-WFBCFIKKSA-N	-1	0	488.609	5.999	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)[O-]	ZINC000211517972	569876176	/nfs/dbraw/zinc/87/61/76/569876176.db2.gz	SHMJCXZVYZJGRN-YTRUQHMWSA-N	-1	0	453.347	5.082	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)[O-]	ZINC000211517899	569876211	/nfs/dbraw/zinc/87/62/11/569876211.db2.gz	SHMJCXZVYZJGRN-VNKGSWCUSA-N	-1	0	453.347	5.082	40	0		JKABRM
Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c2ccccc2)cc1	ZINC000216255080	569877973	/nfs/dbraw/zinc/87/79/73/569877973.db2.gz	ORLBIDFUGLPOEV-DEOSSOPVSA-N	-1	0	462.596	5.377	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)c1	ZINC000216300063	569878207	/nfs/dbraw/zinc/87/82/07/569878207.db2.gz	SIJFLZCPSNDHHS-INIZCTEOSA-N	-1	0	460.958	5.388	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](CC(C)C)c3ccccc3)ccc2Cl)c(C)c1	ZINC000216298608	569878210	/nfs/dbraw/zinc/87/82/10/569878210.db2.gz	GDTIQZHTRZXPEB-XMMPIXPASA-N	-1	0	485.049	6.275	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccccc1SCc1ccccc1	ZINC000216398002	569878716	/nfs/dbraw/zinc/87/87/16/569878716.db2.gz	JJAOHTTXOSYEIR-UHFFFAOYSA-N	-1	0	475.595	5.427	40	0		JKABRM
COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000216436451	569878826	/nfs/dbraw/zinc/87/88/26/569878826.db2.gz	INHKYLJXPWELSH-UHFFFAOYSA-N	-1	0	472.994	5.038	40	0		JKABRM
CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(Cl)c1	ZINC000216453809	569878919	/nfs/dbraw/zinc/87/89/19/569878919.db2.gz	QMPBLNZGDCEMHF-UHFFFAOYSA-N	-1	0	451.331	5.410	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(OC(C)C)cc3)ccc2Cl)c1	ZINC000216457604	569878995	/nfs/dbraw/zinc/87/89/95/569878995.db2.gz	IXPOCFKRACLTPF-UHFFFAOYSA-N	-1	0	472.994	5.166	40	0		JKABRM
Cc1c(C(=O)[O-])c2ccccc2n1C(=O)COc1c(C)cc(Br)cc1Br	ZINC000216851868	569879749	/nfs/dbraw/zinc/87/97/49/569879749.db2.gz	QJMOEXOBWOPMEU-UHFFFAOYSA-N	-1	0	481.140	5.201	40	0		JKABRM
Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NC[C@H]3CC[C@@H](C(=O)[O-])CC3)c(=O)oc12	ZINC000217471957	569880111	/nfs/dbraw/zinc/88/01/11/569880111.db2.gz	ALCRLVQDCOUCDC-IYARVYRRSA-N	-1	0	481.589	5.393	40	0		JKABRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(I)c3)N21	ZINC000222687981	569888539	/nfs/dbraw/zinc/88/85/39/569888539.db2.gz	QPYSRKPVSHEWSD-IUIKQTSFSA-N	-1	0	485.778	5.025	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1NC(C)=O	ZINC000222698338	569888866	/nfs/dbraw/zinc/88/88/66/569888866.db2.gz	WAZNAOBSYCBERE-UHFFFAOYSA-N	-1	0	462.980	5.613	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1	ZINC000222699434	569888894	/nfs/dbraw/zinc/88/88/94/569888894.db2.gz	LILQIECWUJGQPZ-UHFFFAOYSA-N	-1	0	485.049	5.812	40	0		JKABRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)N21	ZINC000222715852	569889418	/nfs/dbraw/zinc/88/94/18/569889418.db2.gz	QDKADQGGDWOSRE-LVXYXVKQSA-N	-1	0	453.951	5.673	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)N21	ZINC000222716447	569889451	/nfs/dbraw/zinc/88/94/51/569889451.db2.gz	HKQZESGGPCZAKD-FGCOXFRFSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc43)ccc2Cl)cc1	ZINC000222850166	569892628	/nfs/dbraw/zinc/89/26/28/569892628.db2.gz	PFLRCCNFLOMSNV-UHFFFAOYSA-N	-1	0	464.974	5.532	40	0		JKABRM
Cc1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)s2)cc1	ZINC000222856284	569892893	/nfs/dbraw/zinc/89/28/93/569892893.db2.gz	REEIIJBHQPVMIZ-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1	ZINC000222934873	569894857	/nfs/dbraw/zinc/89/48/57/569894857.db2.gz	VJJPDOMOUITSAO-LJQANCHMSA-N	-1	0	497.060	6.127	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1	ZINC000222934812	569894865	/nfs/dbraw/zinc/89/48/65/569894865.db2.gz	VJJPDOMOUITSAO-IBGZPJMESA-N	-1	0	497.060	6.127	40	0		JKABRM
CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222940939	569895007	/nfs/dbraw/zinc/89/50/07/569895007.db2.gz	RKZWFRPJJYMQTE-SFTDATJTSA-N	-1	0	455.967	5.322	40	0		JKABRM
CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222941071	569895048	/nfs/dbraw/zinc/89/50/48/569895048.db2.gz	RKZWFRPJJYMQTE-LEWJYISDSA-N	-1	0	455.967	5.322	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2Cl)c1	ZINC000222954081	569895328	/nfs/dbraw/zinc/89/53/28/569895328.db2.gz	CQMQBBYVQXJKCC-UHFFFAOYSA-N	-1	0	484.990	5.220	40	0		JKABRM
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000222985686	569896175	/nfs/dbraw/zinc/89/61/75/569896175.db2.gz	XMGSAICIFOAKBF-SFTDATJTSA-N	-1	0	455.967	5.466	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)c1ccc(OC)c(C)c1	ZINC000223015766	569896903	/nfs/dbraw/zinc/89/69/03/569896903.db2.gz	YNZMBLOCICVVHU-QFIPXVFZSA-N	-1	0	487.021	5.647	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000223022676	569897078	/nfs/dbraw/zinc/89/70/78/569897078.db2.gz	KGPQZRGUDWTDGU-KRWDZBQOSA-N	-1	0	456.995	5.503	40	0		JKABRM
CC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)CCCC2	ZINC000223080977	569898880	/nfs/dbraw/zinc/89/88/80/569898880.db2.gz	ZJCKRZBGLPWAOL-QFIPXVFZSA-N	-1	0	454.617	5.309	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c1	ZINC000223183648	569902501	/nfs/dbraw/zinc/90/25/01/569902501.db2.gz	HNCOAULLBFFKIK-SFHVURJKSA-N	-1	0	483.033	5.737	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1Cl	ZINC000223182967	569902518	/nfs/dbraw/zinc/90/25/18/569902518.db2.gz	DDXOGOGVJMHTCS-QGZVFWFLSA-N	-1	0	469.006	5.429	40	0		JKABRM
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCC2	ZINC000223182816	569902537	/nfs/dbraw/zinc/90/25/37/569902537.db2.gz	FVARTQTWFMJROC-INIZCTEOSA-N	-1	0	454.979	5.121	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c1	ZINC000223183053	569902563	/nfs/dbraw/zinc/90/25/63/569902563.db2.gz	ICWCCTROVFHMGX-KRWDZBQOSA-N	-1	0	469.006	5.429	40	0		JKABRM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccc(OC)cc3)ccc21	ZINC000223198099	569903086	/nfs/dbraw/zinc/90/30/86/569903086.db2.gz	ZOSMWCGJWYGUJD-UHFFFAOYSA-N	-1	0	486.977	5.241	40	0		JKABRM
COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C(C)C	ZINC000223248223	569904856	/nfs/dbraw/zinc/90/48/56/569904856.db2.gz	HKTDAYGHUHWDQQ-LJQANCHMSA-N	-1	0	466.603	5.419	40	0		JKABRM
CCc1ccc(CC)c(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000223265260	569905356	/nfs/dbraw/zinc/90/53/56/569905356.db2.gz	ARUVNDRARZTROR-UHFFFAOYSA-N	-1	0	485.049	5.812	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)s1	ZINC000223275719	569905914	/nfs/dbraw/zinc/90/59/14/569905914.db2.gz	DCISGMZLUXYAJY-UHFFFAOYSA-N	-1	0	497.067	5.364	40	0		JKABRM
COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C	ZINC000223336172	569907891	/nfs/dbraw/zinc/90/78/91/569907891.db2.gz	ASZJCJMTZYKFMD-UHFFFAOYSA-N	-1	0	475.994	6.382	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1	ZINC000223364403	569908941	/nfs/dbraw/zinc/90/89/41/569908941.db2.gz	XFZQQBVINPOQJR-DHIUTWEWSA-N	-1	0	459.527	5.114	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223400651	569909899	/nfs/dbraw/zinc/90/98/99/569909899.db2.gz	PRKPLSCTQUIGBD-BJKOFHAPSA-N	-1	0	455.539	5.213	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223400563	569909917	/nfs/dbraw/zinc/90/99/17/569909917.db2.gz	PRKPLSCTQUIGBD-DNQXCXABSA-N	-1	0	455.539	5.213	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223402546	569909987	/nfs/dbraw/zinc/90/99/87/569909987.db2.gz	VCOTXWUJGVCRRN-DQEYMECFSA-N	-1	0	469.566	5.521	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)ccc2Cl)cc1C	ZINC000223428797	569911043	/nfs/dbraw/zinc/91/10/43/569911043.db2.gz	MJKQRFOTLIGQLZ-FQEVSTJZSA-N	-1	0	485.049	6.174	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)ccc2Cl)cc1	ZINC000223428289	569911079	/nfs/dbraw/zinc/91/10/79/569911079.db2.gz	TUBMGPGWMBXXPT-LJQANCHMSA-N	-1	0	471.022	5.865	40	0		JKABRM
Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1C	ZINC000223428377	569911094	/nfs/dbraw/zinc/91/10/94/569911094.db2.gz	KKGINFAGWRYZLU-FQEVSTJZSA-N	-1	0	485.049	6.174	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1	ZINC000223556519	569915902	/nfs/dbraw/zinc/91/59/02/569915902.db2.gz	SNSBRSSKSFLEQV-XZOQPEGZSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)c1	ZINC000223556399	569915920	/nfs/dbraw/zinc/91/59/20/569915920.db2.gz	SNSBRSSKSFLEQV-DHIUTWEWSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)s1)c1ccc(Cl)cc1	ZINC000223732437	569921511	/nfs/dbraw/zinc/92/15/11/569921511.db2.gz	PKWVHHSMUARTOF-UHFFFAOYSA-N	-1	0	486.962	5.037	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223776041	569922921	/nfs/dbraw/zinc/92/29/21/569922921.db2.gz	RFTSVAPMUXAUKJ-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223776165	569922974	/nfs/dbraw/zinc/92/29/74/569922974.db2.gz	RFTSVAPMUXAUKJ-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223776349	569922983	/nfs/dbraw/zinc/92/29/83/569922983.db2.gz	ZTEQPIUYLUHNJP-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223776268	569922989	/nfs/dbraw/zinc/92/29/89/569922989.db2.gz	ZTEQPIUYLUHNJP-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223776227	569922992	/nfs/dbraw/zinc/92/29/92/569922992.db2.gz	ZTEQPIUYLUHNJP-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223778203	569923040	/nfs/dbraw/zinc/92/30/40/569923040.db2.gz	GULOVNWKMDEABQ-JWQCQUIFSA-N	-1	0	485.565	5.534	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223833904	569924683	/nfs/dbraw/zinc/92/46/83/569924683.db2.gz	PDLFMAVGEIOYME-JWQCQUIFSA-N	-1	0	485.565	5.616	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1	ZINC000223876251	569925854	/nfs/dbraw/zinc/92/58/54/569925854.db2.gz	BSZSUODGWMXYGC-ZEQRLZLVSA-N	-1	0	471.538	5.231	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223876577	569925908	/nfs/dbraw/zinc/92/59/08/569925908.db2.gz	KKAFOMIFDYDCKJ-DHIUTWEWSA-N	-1	0	491.956	5.576	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223912280	569927011	/nfs/dbraw/zinc/92/70/11/569927011.db2.gz	LKCOSUHMNGXGHX-JWQCQUIFSA-N	-1	0	484.581	5.283	40	0		JKABRM
CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000223912364	569927035	/nfs/dbraw/zinc/92/70/35/569927035.db2.gz	MZKFKHFGFWBNKJ-DQEYMECFSA-N	-1	0	484.581	5.283	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1	ZINC000223914262	569927097	/nfs/dbraw/zinc/92/70/97/569927097.db2.gz	IKUIJCATJYKTNZ-FTJBHMTQSA-N	-1	0	498.608	5.591	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)c1	ZINC000223960088	569928500	/nfs/dbraw/zinc/92/85/00/569928500.db2.gz	PRAHQSVTPLJZTH-UHFFFAOYSA-N	-1	0	476.985	5.953	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)cc1	ZINC000223960236	569928522	/nfs/dbraw/zinc/92/85/22/569928522.db2.gz	QFGGLXLUAQCCHM-UHFFFAOYSA-N	-1	0	463.386	5.075	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)cc1	ZINC000223962264	569928594	/nfs/dbraw/zinc/92/85/94/569928594.db2.gz	NYXITQVNZNFOEB-UHFFFAOYSA-N	-1	0	476.985	5.953	40	0		JKABRM
CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000223962946	569928628	/nfs/dbraw/zinc/92/86/28/569928628.db2.gz	VPDMOSCNNCKGAK-SFHVURJKSA-N	-1	0	451.032	5.704	40	0		JKABRM
CCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000223963846	569928654	/nfs/dbraw/zinc/92/86/54/569928654.db2.gz	HTNXABWAACZLDR-UHFFFAOYSA-N	-1	0	487.021	5.129	40	0		JKABRM
CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000223965132	569928685	/nfs/dbraw/zinc/92/86/85/569928685.db2.gz	HCESWUBUWHBRDV-GOSISDBHSA-N	-1	0	451.032	5.704	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2Cl)c(C)c1	ZINC000223965512	569928773	/nfs/dbraw/zinc/92/87/73/569928773.db2.gz	DSNRSXAZQQOIDL-GOSISDBHSA-N	-1	0	456.995	5.291	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Cl)c1	ZINC000223967802	569928830	/nfs/dbraw/zinc/92/88/30/569928830.db2.gz	DLUWAOHHQVOLFA-SFHVURJKSA-N	-1	0	456.995	5.291	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)c1	ZINC000223966869	569928852	/nfs/dbraw/zinc/92/88/52/569928852.db2.gz	KHBYXXLVXQNGHI-UHFFFAOYSA-N	-1	0	477.413	5.384	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2Cl)cc1C	ZINC000223969546	569928920	/nfs/dbraw/zinc/92/89/20/569928920.db2.gz	RTHUWGIJRYHIRN-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)s2)cc1	ZINC000223970278	569928946	/nfs/dbraw/zinc/92/89/46/569928946.db2.gz	YCNVXLOBDHPNTJ-UHFFFAOYSA-N	-1	0	496.639	5.192	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c5c(cccc53)CC4)ccc2Cl)cc1C	ZINC000223971154	569928958	/nfs/dbraw/zinc/92/89/58/569928958.db2.gz	PZLIGVQQDCOZRM-UHFFFAOYSA-N	-1	0	491.012	6.262	40	0		JKABRM
CCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000223970526	569928971	/nfs/dbraw/zinc/92/89/71/569928971.db2.gz	SBPWYGMJLVKTTF-UHFFFAOYSA-N	-1	0	487.021	5.129	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223990371	569929636	/nfs/dbraw/zinc/92/96/36/569929636.db2.gz	QXBDXMFOEJQBJJ-DQEYMECFSA-N	-1	0	498.564	5.175	40	0		JKABRM
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223990782	569929717	/nfs/dbraw/zinc/92/97/17/569929717.db2.gz	PMQUFKAXJONCBP-JWQCQUIFSA-N	-1	0	498.564	5.175	40	0		JKABRM
Cc1ccc(C)c(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000224002294	569930073	/nfs/dbraw/zinc/93/00/73/569930073.db2.gz	OZJBNVFGHGHMFB-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1	ZINC000224032183	569931215	/nfs/dbraw/zinc/93/12/15/569931215.db2.gz	VJIMLHURZUTLIW-RPBOFIJWSA-N	-1	0	499.548	5.254	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)c(C)c1	ZINC000224109086	569933468	/nfs/dbraw/zinc/93/34/68/569933468.db2.gz	QEXYIXMZMXKIFF-UHFFFAOYSA-N	-1	0	496.938	5.706	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1	ZINC000224184585	569935616	/nfs/dbraw/zinc/93/56/16/569935616.db2.gz	WJBBJIIDIOJIMS-DHIUTWEWSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224215995	569936823	/nfs/dbraw/zinc/93/68/23/569936823.db2.gz	NWQHSOPWJJPRMS-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224215854	569936849	/nfs/dbraw/zinc/93/68/49/569936849.db2.gz	NWQHSOPWJJPRMS-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224216334	569936854	/nfs/dbraw/zinc/93/68/54/569936854.db2.gz	BHJJQZSOBVUWCC-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224248470	569938071	/nfs/dbraw/zinc/93/80/71/569938071.db2.gz	CMIYQARZTBQEPX-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224248824	569938092	/nfs/dbraw/zinc/93/80/92/569938092.db2.gz	NGWNYCMAGBTNKI-ZEQRLZLVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1C	ZINC000224281225	569939138	/nfs/dbraw/zinc/93/91/38/569939138.db2.gz	ORTHMYGOJQAWGE-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1C	ZINC000224281644	569939184	/nfs/dbraw/zinc/93/91/84/569939184.db2.gz	ASUAPGURKQTENI-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1C	ZINC000224281689	569939221	/nfs/dbraw/zinc/93/92/21/569939221.db2.gz	ASUAPGURKQTENI-JWQCQUIFSA-N	-1	0	469.566	5.834	40	0		JKABRM
CCCSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)s1	ZINC000224299126	569939680	/nfs/dbraw/zinc/93/96/80/569939680.db2.gz	YCCABBOLSXBEKB-UHFFFAOYSA-N	-1	0	497.067	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)c1	ZINC000224313001	569940115	/nfs/dbraw/zinc/94/01/15/569940115.db2.gz	LSSCDCTVVOJINL-RPBOFIJWSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224318252	569940358	/nfs/dbraw/zinc/94/03/58/569940358.db2.gz	OICJUCCKNIMPQX-IZZNHLLZSA-N	-1	0	483.593	6.142	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224318162	569940369	/nfs/dbraw/zinc/94/03/69/569940369.db2.gz	OICJUCCKNIMPQX-UIOOFZCWSA-N	-1	0	483.593	6.142	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224345587	569941318	/nfs/dbraw/zinc/94/13/18/569941318.db2.gz	LEFTWBCPANNYRT-JWQCQUIFSA-N	-1	0	468.582	5.310	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224348660	569941477	/nfs/dbraw/zinc/94/14/77/569941477.db2.gz	HUPPAGTXZJRJLS-DQEYMECFSA-N	-1	0	469.566	5.779	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224350659	569941518	/nfs/dbraw/zinc/94/15/18/569941518.db2.gz	VMPUZSFXSSHWGP-FTJBHMTQSA-N	-1	0	483.593	6.088	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224350695	569941611	/nfs/dbraw/zinc/94/16/11/569941611.db2.gz	VMPUZSFXSSHWGP-IZZNHLLZSA-N	-1	0	483.593	6.088	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224377537	569942516	/nfs/dbraw/zinc/94/25/16/569942516.db2.gz	AWOXJIDRGGKTIH-FTJBHMTQSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224377579	569942537	/nfs/dbraw/zinc/94/25/37/569942537.db2.gz	AWOXJIDRGGKTIH-IZZNHLLZSA-N	-1	0	482.609	5.871	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1	ZINC000224412717	569943804	/nfs/dbraw/zinc/94/38/04/569943804.db2.gz	AVRPPCPQRIWLAJ-PKTZIBPZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224412516	569943829	/nfs/dbraw/zinc/94/38/29/569943829.db2.gz	JKALKVLJJBNPSD-PKTZIBPZSA-N	-1	0	459.502	5.356	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224414441	569943871	/nfs/dbraw/zinc/94/38/71/569943871.db2.gz	WZQHHGSPIKUUGO-BJKOFHAPSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224445797	569944726	/nfs/dbraw/zinc/94/47/26/569944726.db2.gz	PSKZRLYPWOLYHS-XZOQPEGZSA-N	-1	0	459.502	5.356	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1	ZINC000224445967	569944798	/nfs/dbraw/zinc/94/47/98/569944798.db2.gz	YACZQVLADUNLKG-PKTZIBPZSA-N	-1	0	459.502	5.356	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224447895	569944817	/nfs/dbraw/zinc/94/48/17/569944817.db2.gz	OLXBGCCGDKDCJP-RPWUZVMVSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	ZINC000224474268	569945531	/nfs/dbraw/zinc/94/55/31/569945531.db2.gz	UQQZUQCSWIAPNH-DHIUTWEWSA-N	-1	0	474.973	5.401	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476957	569945698	/nfs/dbraw/zinc/94/56/98/569945698.db2.gz	OBCQHEIBMXVJAV-PKTZIBPZSA-N	-1	0	475.957	5.870	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224546477	569947916	/nfs/dbraw/zinc/94/79/16/569947916.db2.gz	DNURUGKQIQIHSJ-DNQXCXABSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224546383	569947938	/nfs/dbraw/zinc/94/79/38/569947938.db2.gz	DNURUGKQIQIHSJ-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224548221	569948014	/nfs/dbraw/zinc/94/80/14/569948014.db2.gz	UCKRKUQTVKLSGG-DQEYMECFSA-N	-1	0	485.565	5.534	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000224581911	569949488	/nfs/dbraw/zinc/94/94/88/569949488.db2.gz	CSMWFAJELIWZFG-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000224582238	569949491	/nfs/dbraw/zinc/94/94/91/569949491.db2.gz	WELJGMPZWQUEIO-ZEQRLZLVSA-N	-1	0	471.538	5.226	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1	ZINC000224619570	569951058	/nfs/dbraw/zinc/95/10/58/569951058.db2.gz	FCEIZCUQYAXAEK-BJKOFHAPSA-N	-1	0	471.538	5.231	40	0		JKABRM
COc1ccccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Br)ccc1OC	ZINC000224623799	569951307	/nfs/dbraw/zinc/95/13/07/569951307.db2.gz	NPCLEHCRKPMZIV-UHFFFAOYSA-N	-1	0	498.782	5.713	40	0		JKABRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(CSc2ccccc2)cc1	ZINC000224782509	569957388	/nfs/dbraw/zinc/95/73/88/569957388.db2.gz	VMTUFDIVSODZLE-UHFFFAOYSA-N	-1	0	464.406	5.551	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cc1C	ZINC000224869710	569961084	/nfs/dbraw/zinc/96/10/84/569961084.db2.gz	LAIOOFWIYDQFRM-UHFFFAOYSA-N	-1	0	498.910	5.909	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	ZINC000224878914	569961484	/nfs/dbraw/zinc/96/14/84/569961484.db2.gz	ZMJXCLFNFYNEBW-XZOQPEGZSA-N	-1	0	490.972	5.107	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)ccc1F	ZINC000224911000	569962991	/nfs/dbraw/zinc/96/29/91/569962991.db2.gz	HDFMPWMLAILVIJ-DNQXCXABSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1F	ZINC000224911340	569963052	/nfs/dbraw/zinc/96/30/52/569963052.db2.gz	KKCNNLJYCMMWBH-DNQXCXABSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1F	ZINC000224911095	569963076	/nfs/dbraw/zinc/96/30/76/569963076.db2.gz	SSLIDHPDSSJIBT-RPWUZVMVSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2Cl)c1	ZINC000224912227	569963095	/nfs/dbraw/zinc/96/30/95/569963095.db2.gz	WBQGJZYFVNEDQO-UHFFFAOYSA-N	-1	0	484.021	5.610	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2Cl)c(C)c1	ZINC000224912170	569963101	/nfs/dbraw/zinc/96/31/01/569963101.db2.gz	SYICZIOFZAXNJM-UHFFFAOYSA-N	-1	0	484.021	5.610	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1Cl	ZINC000224911937	569963113	/nfs/dbraw/zinc/96/31/13/569963113.db2.gz	GELCTUFYKHFFAT-UHFFFAOYSA-N	-1	0	469.994	5.302	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2Cl)cc1	ZINC000224912060	569963119	/nfs/dbraw/zinc/96/31/19/569963119.db2.gz	ZHKBQMLUTNZQMZ-UHFFFAOYSA-N	-1	0	469.994	5.302	40	0		JKABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(CSc4ccccc4)cc3)s2)c1	ZINC000224972183	569966180	/nfs/dbraw/zinc/96/61/80/569966180.db2.gz	KYNHPZWGSRPXGL-UHFFFAOYSA-N	-1	0	496.639	5.192	40	0		JKABRM
COc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(Br)ccc2OC)c1	ZINC000224996927	569968148	/nfs/dbraw/zinc/96/81/48/569968148.db2.gz	GKNYKISZNYCWNA-UHFFFAOYSA-N	-1	0	498.782	5.713	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1	ZINC000408602877	569969645	/nfs/dbraw/zinc/96/96/45/569969645.db2.gz	BDPOVTNPCRRLGN-UHFFFAOYSA-N	-1	0	481.173	6.645	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccccc1F	ZINC000408606299	569971144	/nfs/dbraw/zinc/97/11/44/569971144.db2.gz	IFDAUHXYMWRIJP-UHFFFAOYSA-N	-1	0	460.299	5.486	40	0		JKABRM
O=C([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	ZINC000225053026	569972070	/nfs/dbraw/zinc/97/20/70/569972070.db2.gz	CPCYAIZHDDNTKH-UIOOFZCWSA-N	-1	0	497.624	5.045	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1	ZINC000225056089	569972274	/nfs/dbraw/zinc/97/22/74/569972274.db2.gz	LFULGFIHMPQTIP-FTJBHMTQSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1	ZINC000225055774	569972292	/nfs/dbraw/zinc/97/22/92/569972292.db2.gz	BFYIUTCCDMPNEP-IZZNHLLZSA-N	-1	0	498.608	5.515	40	0		JKABRM
O=C([O-])c1cccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)c1	ZINC000408610143	569972353	/nfs/dbraw/zinc/97/23/53/569972353.db2.gz	NYFOSVIGQOFORK-UHFFFAOYSA-N	-1	0	489.753	5.430	40	0		JKABRM
O=C([O-])COc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1	ZINC000408610012	569972363	/nfs/dbraw/zinc/97/23/63/569972363.db2.gz	QEAYTWDMQQNKMA-UHFFFAOYSA-N	-1	0	467.516	5.080	40	0		JKABRM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1)C(=O)NC1CCCCC1	ZINC000408612057	569972893	/nfs/dbraw/zinc/97/28/93/569972893.db2.gz	YCODVKWCQVYQOH-HXUWFJFHSA-N	-1	0	494.613	5.496	40	0		JKABRM
Cc1cccc(NC(=O)COc2ccc(CNc3cccc(C(=O)[O-])c3)cc2Br)c1	ZINC000408613482	569973341	/nfs/dbraw/zinc/97/33/41/569973341.db2.gz	UNZVXIRBYRMHKO-UHFFFAOYSA-N	-1	0	469.335	5.085	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1	ZINC000408613868	569973577	/nfs/dbraw/zinc/97/35/77/569973577.db2.gz	WREVUEZTPKHVJR-UHFFFAOYSA-N	-1	0	456.336	5.655	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc21	ZINC000408614111	569973791	/nfs/dbraw/zinc/97/37/91/569973791.db2.gz	YLBPLJVVHNVBNX-UHFFFAOYSA-N	-1	0	461.945	6.781	40	0		JKABRM
O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000408614447	569973926	/nfs/dbraw/zinc/97/39/26/569973926.db2.gz	CKHBAKSKZYDABH-UHFFFAOYSA-N	-1	0	476.985	5.660	40	0		JKABRM
O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)cc1	ZINC000225089014	569974299	/nfs/dbraw/zinc/97/42/99/569974299.db2.gz	VQHKZGDRILNJQG-UHFFFAOYSA-N	-1	0	487.002	5.087	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2Cl)c1	ZINC000408616598	569975725	/nfs/dbraw/zinc/97/57/25/569975725.db2.gz	HFDCTUSDIMNPQU-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2Cl)c1	ZINC000408617266	569976172	/nfs/dbraw/zinc/97/61/72/569976172.db2.gz	FSAJXJQKISOHKK-UHFFFAOYSA-N	-1	0	458.967	5.489	40	0		JKABRM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccccc4C)s3)ccc21	ZINC000225122525	569976333	/nfs/dbraw/zinc/97/63/33/569976333.db2.gz	HEZNLDUQYLAFBK-UHFFFAOYSA-N	-1	0	491.598	5.027	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1NC(=O)c1ccccc1	ZINC000408618474	569976778	/nfs/dbraw/zinc/97/67/78/569976778.db2.gz	GMKYHCUJHVVINO-UHFFFAOYSA-N	-1	0	458.539	5.840	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)ccc1Cl	ZINC000408620263	569977685	/nfs/dbraw/zinc/97/76/85/569977685.db2.gz	NNFODONFGOZLLZ-SFHVURJKSA-N	-1	0	456.995	5.200	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc34)o2)cc1	ZINC000408626124	569980517	/nfs/dbraw/zinc/98/05/17/569980517.db2.gz	LZSJEVPBDZNFRS-UHFFFAOYSA-N	-1	0	486.549	5.956	40	0		JKABRM
COc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c(OC)cc1Cl	ZINC000408626504	569980623	/nfs/dbraw/zinc/98/06/23/569980623.db2.gz	XJWKYYYWNXXGFK-UHFFFAOYSA-N	-1	0	495.384	5.372	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)ccc1NC(=O)c1ccccc1	ZINC000408626706	569980823	/nfs/dbraw/zinc/98/08/23/569980823.db2.gz	VYQUUXCJCDGQKD-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SC(C)C)s3)ccc2Cl)cc1	ZINC000225186351	569981121	/nfs/dbraw/zinc/98/11/21/569981121.db2.gz	MUSHTKPRAVVYGK-UHFFFAOYSA-N	-1	0	483.040	5.054	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2c(C)n(C)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408630762	569982418	/nfs/dbraw/zinc/98/24/18/569982418.db2.gz	CMXRQMHQOXQEJA-ODLFYWEKSA-N	-1	0	454.939	5.152	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1Cl	ZINC000408630625	569982459	/nfs/dbraw/zinc/98/24/59/569982459.db2.gz	VXJNAYXQQDEXSX-UHFFFAOYSA-N	-1	0	491.012	5.969	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2Oc2ccccc2)cc1	ZINC000408631094	569982690	/nfs/dbraw/zinc/98/26/90/569982690.db2.gz	ZYFQFAZEQLWKAW-UHFFFAOYSA-N	-1	0	458.539	5.840	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C(=O)[O-])o2)c1	ZINC000408631036	569982692	/nfs/dbraw/zinc/98/26/92/569982692.db2.gz	BRODBUGWSRMOBZ-MOSHPQCFSA-N	-1	0	496.566	6.024	40	0		JKABRM
CCn1c(S/C(=C\c2c(C)n(C)c3ccccc23)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408631063	569982721	/nfs/dbraw/zinc/98/27/21/569982721.db2.gz	BUANSJNRVYMNJD-HMAPJEAMSA-N	-1	0	478.574	5.000	40	0		JKABRM
CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2cc(OC)cc(OC)c2)n1CC)C(=O)[O-]	ZINC000408631268	569982864	/nfs/dbraw/zinc/98/28/64/569982864.db2.gz	CVGHJNFMCUDFSO-NDENLUEZSA-N	-1	0	489.981	5.252	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000408631509	569982968	/nfs/dbraw/zinc/98/29/68/569982968.db2.gz	JVPLTUGYLZNFOM-LSCVHKIXSA-N	-1	0	467.330	5.490	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408631493	569982971	/nfs/dbraw/zinc/98/29/71/569982971.db2.gz	JOZZZVKIHBVFHT-UNOMPAQXSA-N	-1	0	459.955	5.216	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)[O-])o2)c1	ZINC000408631459	569982973	/nfs/dbraw/zinc/98/29/73/569982973.db2.gz	DXPHQJBWOBAIDA-NDENLUEZSA-N	-1	0	484.917	5.885	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OCc1ccccc1Cl	ZINC000408631467	569982994	/nfs/dbraw/zinc/98/29/94/569982994.db2.gz	JHPUOILXWBXMQB-UNOMPAQXSA-N	-1	0	460.939	5.481	40	0		JKABRM
CCc1nc(SC(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])n[nH]1	ZINC000408631546	569983082	/nfs/dbraw/zinc/98/30/82/569983082.db2.gz	KEZFLVBUPADBNN-MFOYZWKCSA-N	-1	0	450.347	5.471	40	0		JKABRM
CCc1nnc(S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)[O-])o1	ZINC000408631785	569983235	/nfs/dbraw/zinc/98/32/35/569983235.db2.gz	LKVGKBLQUJBJRP-BOPFTXTBSA-N	-1	0	461.337	5.191	40	0		JKABRM
COc1ccc(COc2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])cc2)cc1	ZINC000408631690	569983243	/nfs/dbraw/zinc/98/32/43/569983243.db2.gz	AMBURGCUGCMANT-HMAPJEAMSA-N	-1	0	493.972	5.931	40	0		JKABRM
CCn1c(S/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408631775	569983251	/nfs/dbraw/zinc/98/32/51/569983251.db2.gz	GIWXXPRYKNPTPA-QRVIBDJDSA-N	-1	0	492.601	5.736	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)[O-])o1	ZINC000408631932	569983383	/nfs/dbraw/zinc/98/33/83/569983383.db2.gz	HHDLECPXISKKNU-ATVHPVEESA-N	-1	0	461.927	5.200	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408632219	569983589	/nfs/dbraw/zinc/98/35/89/569983589.db2.gz	OTXJRNCKKNKKJT-NVMNQCDNSA-N	-1	0	480.373	5.479	40	0		JKABRM
O=C([O-])/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)Sc1nc2ccccc2o1	ZINC000408632316	569983598	/nfs/dbraw/zinc/98/35/98/569983598.db2.gz	DERBYEIQQOTGQS-MTJSOVHGSA-N	-1	0	472.349	6.931	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408632267	569983620	/nfs/dbraw/zinc/98/36/20/569983620.db2.gz	PKYUKYAEKRVVHU-HAHDFKILSA-N	-1	0	476.554	5.981	40	0		JKABRM
O=C([O-])/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)Sc1nc2ccccc2[nH]1	ZINC000408632370	569983697	/nfs/dbraw/zinc/98/36/97/569983697.db2.gz	FATXWGJWRTZQJB-QRVIBDJDSA-N	-1	0	486.528	5.513	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3cccc4ccccc43)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000408632470	569983773	/nfs/dbraw/zinc/98/37/73/569983773.db2.gz	QKBTZHWLLJFHPD-JLPGSUDCSA-N	-1	0	489.597	6.106	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccccc1F	ZINC000408632377	569983800	/nfs/dbraw/zinc/98/38/00/569983800.db2.gz	FGRRJVIDHXSECK-XKZIYDEJSA-N	-1	0	450.491	5.507	40	0		JKABRM
COC(=O)c1cc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)[O-])o2)ccc1Cl	ZINC000408632644	569983839	/nfs/dbraw/zinc/98/38/39/569983839.db2.gz	GHANCYBYSBOGGX-ODLFYWEKSA-N	-1	0	455.875	5.746	40	0		JKABRM
CCn1cc(C=C(Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)[O-])c2ccccc21	ZINC000408632604	569983841	/nfs/dbraw/zinc/98/38/41/569983841.db2.gz	RUSMBRIZPTWUQE-GRSHGNNSSA-N	-1	0	454.939	5.326	40	0		JKABRM
CCn1c(S/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408632582	569983873	/nfs/dbraw/zinc/98/38/73/569983873.db2.gz	JRQWYXOUZYKKTH-ZHZULCJRSA-N	-1	0	485.396	6.280	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)Sc1nc2ccccc2[nH]1	ZINC000408632633	569983875	/nfs/dbraw/zinc/98/38/75/569983875.db2.gz	GBLCJLBXICMILY-NHDPSOOVSA-N	-1	0	471.365	6.667	40	0		JKABRM
CCCc1nc(SC(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408632538	569983906	/nfs/dbraw/zinc/98/39/06/569983906.db2.gz	RBDYDWXRVMOWFW-IWIPYMOSSA-N	-1	0	468.582	6.131	40	0		JKABRM
CCCc1nc(SC(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C(=O)[O-])n[nH]1	ZINC000408632529	569983929	/nfs/dbraw/zinc/98/39/29/569983929.db2.gz	QYBSVVKSJFPQED-HMAPJEAMSA-N	-1	0	463.534	5.846	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632624	569983932	/nfs/dbraw/zinc/98/39/32/569983932.db2.gz	FWZFVQITHSJQSW-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
CCOc1c(Br)cc(Br)cc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-]	ZINC000408632642	569983937	/nfs/dbraw/zinc/98/39/37/569983937.db2.gz	GGSWPWOALHWCGD-NVNXTCNLSA-N	-1	0	498.196	5.704	40	0		JKABRM
CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](CC(=O)[O-])c3ccc(Cl)cc3)n2)cc1	ZINC000225226981	569983994	/nfs/dbraw/zinc/98/39/94/569983994.db2.gz	LKIWODDQMDFUGL-LJQANCHMSA-N	-1	0	485.997	5.083	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3c(C)cc(C)cc3C)c(OCC)c2)C(=O)[O-])n[nH]1	ZINC000408632792	569983977	/nfs/dbraw/zinc/98/39/77/569983977.db2.gz	SQFADRITYSWYKF-UCQKPKSFSA-N	-1	0	481.618	5.878	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(Br)ccc2O)C(=O)[O-])o1	ZINC000408632722	569984055	/nfs/dbraw/zinc/98/40/55/569984055.db2.gz	JXWHSTNHGVXNKF-CHHVJCJISA-N	-1	0	483.727	5.085	40	0		JKABRM
COc1c(Br)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1Br	ZINC000408632690	569984060	/nfs/dbraw/zinc/98/40/60/569984060.db2.gz	GXPZGAAZHXPFTO-ZSOIEALJSA-N	-1	0	485.153	5.579	40	0		JKABRM
COc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(Cl)c1OC	ZINC000408632972	569984138	/nfs/dbraw/zinc/98/41/38/569984138.db2.gz	IIOCKZMIUCYAID-DHDCSXOGSA-N	-1	0	452.319	5.014	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2c(OC(C)C)ccc3ccccc32)C(=O)[O-])n[nH]1	ZINC000408633196	569984265	/nfs/dbraw/zinc/98/42/65/569984265.db2.gz	XABDVTHRFXMUGW-XKZIYDEJSA-N	-1	0	495.988	6.292	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)[O-])o2)c1	ZINC000408633122	569984347	/nfs/dbraw/zinc/98/43/47/569984347.db2.gz	LRFCJYWCWRZUEA-UYRXBGFRSA-N	-1	0	482.539	5.716	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408633355	569984375	/nfs/dbraw/zinc/98/43/75/569984375.db2.gz	KBNHPXXFRCPEAV-KSEXSDGBSA-N	-1	0	495.387	7.355	40	0		JKABRM
CCC1(CC)C[C@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2O1	ZINC000225230292	569984441	/nfs/dbraw/zinc/98/44/41/569984441.db2.gz	GYQQFVDDZGBWBZ-DEOSSOPVSA-N	-1	0	478.614	5.608	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccccc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408633322	569984442	/nfs/dbraw/zinc/98/44/42/569984442.db2.gz	JWBFORIDXLSBLO-STZFKDTASA-N	-1	0	464.930	6.187	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)Sc1nc2ccccc2o1	ZINC000408633321	569984449	/nfs/dbraw/zinc/98/44/49/569984449.db2.gz	JVZOQKVHYQMNDR-BKUYFWCQSA-N	-1	0	482.355	6.387	40	0		JKABRM
CCCc1nc(SC(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)[O-])n[nH]1	ZINC000408633446	569984516	/nfs/dbraw/zinc/98/45/16/569984516.db2.gz	YLVFOFYNLNTSKU-ZDLGFXPLSA-N	-1	0	464.374	5.861	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)[O-])c2ccccc12	ZINC000408633555	569984581	/nfs/dbraw/zinc/98/45/81/569984581.db2.gz	NVVAWQAVDOIKPI-JCMHNJIXSA-N	-1	0	479.989	6.388	40	0		JKABRM
CCc1nnc(S/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)[O-])o1	ZINC000408633541	569984590	/nfs/dbraw/zinc/98/45/90/569984590.db2.gz	ZTUGBKPUNHSCSW-BKUYFWCQSA-N	-1	0	466.946	6.235	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1Cl	ZINC000408633774	569984643	/nfs/dbraw/zinc/98/46/43/569984643.db2.gz	PFHMJSWFTRDYBW-LSCVHKIXSA-N	-1	0	462.911	5.024	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)[O-])cc1Cl	ZINC000408633705	569984706	/nfs/dbraw/zinc/98/47/06/569984706.db2.gz	OQUGIBCQSIMQNN-JMIUGGIZSA-N	-1	0	489.981	5.252	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2ccc(Cl)cc2)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634110	569984895	/nfs/dbraw/zinc/98/48/95/569984895.db2.gz	PEMMTHYTUQWOSG-WQRHYEAKSA-N	-1	0	458.326	6.256	40	0		JKABRM
CCOC(=O)Cn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c2ccccc21	ZINC000408634083	569984910	/nfs/dbraw/zinc/98/49/10/569984910.db2.gz	OSODLDORKAOPHQ-ODLFYWEKSA-N	-1	0	483.933	5.126	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(Sc4ccccc4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408634291	569985013	/nfs/dbraw/zinc/98/50/13/569985013.db2.gz	TXVUMODHSSECBC-UYRXBGFRSA-N	-1	0	481.555	5.451	40	0		JKABRM
CCn1c(S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634247	569985061	/nfs/dbraw/zinc/98/50/61/569985061.db2.gz	SSZASMQKQAYUCS-BOPFTXTBSA-N	-1	0	480.373	5.507	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)Sc1nc2ccccc2[nH]1	ZINC000408634386	569985063	/nfs/dbraw/zinc/98/50/63/569985063.db2.gz	QMSCZYPCXJMZGB-BKUYFWCQSA-N	-1	0	481.371	6.122	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C(=O)[O-])n[nH]2)c1	ZINC000408634536	569985155	/nfs/dbraw/zinc/98/51/55/569985155.db2.gz	VXLWVZREMBDARN-MTJSOVHGSA-N	-1	0	497.960	5.929	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(Cl)c1OC	ZINC000408634412	569985165	/nfs/dbraw/zinc/98/51/65/569985165.db2.gz	QWLBRMRPYQPVIU-DHDCSXOGSA-N	-1	0	453.303	5.278	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])ccc1OC(C)C	ZINC000408634480	569985168	/nfs/dbraw/zinc/98/51/68/569985168.db2.gz	VCNJFIGDYLMWEX-FBHDLOMBSA-N	-1	0	486.546	5.158	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cn(C(C)C)c4ccccc34)C(=O)[O-])n[nH]2)c1	ZINC000408634539	569985171	/nfs/dbraw/zinc/98/51/71/569985171.db2.gz	VXSVWJLMQNIYNB-NHDPSOOVSA-N	-1	0	464.547	5.242	40	0		JKABRM
CCn1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])c2ccccc21	ZINC000408634690	569985240	/nfs/dbraw/zinc/98/52/40/569985240.db2.gz	WMYPZMLCYGRMHG-GRSHGNNSSA-N	-1	0	455.923	5.591	40	0		JKABRM
O=C([O-])/C(=C/c1cn(Cc2cccc3ccccc32)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408634591	569985251	/nfs/dbraw/zinc/98/52/51/569985251.db2.gz	SBJHACOAUCHQAG-YUMHPJSZSA-N	-1	0	476.557	7.202	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(Cl)cc3Cl)C(=O)[O-])n[nH]2)c1	ZINC000408634708	569985267	/nfs/dbraw/zinc/98/52/67/569985267.db2.gz	WSIBHBARDPZMHK-APSNUPSMSA-N	-1	0	452.319	5.014	40	0		JKABRM
CCn1c(S/C(=C\c2cc(Cl)c(O)c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634871	569985389	/nfs/dbraw/zinc/98/53/89/569985389.db2.gz	XLQUDMYQBTWIMU-YBEGLDIGSA-N	-1	0	466.346	5.204	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(Cl)c1OC(C)C	ZINC000408634845	569985413	/nfs/dbraw/zinc/98/54/13/569985413.db2.gz	VNZXUTZZAYOCQN-YVLHZVERSA-N	-1	0	481.357	6.057	40	0		JKABRM
COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])ccc1OCc1ccccc1	ZINC000408634970	569985415	/nfs/dbraw/zinc/98/54/15/569985415.db2.gz	VZHQZBYOTMRRSG-HMAPJEAMSA-N	-1	0	494.956	6.195	40	0		JKABRM
O=C([O-])C(=Cc1ccccc1OCc1ccccc1Cl)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634819	569985429	/nfs/dbraw/zinc/98/54/29/569985429.db2.gz	VCUFARXTRQJFTO-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
O=C([O-])C(=Cc1ccc(OCc2ccccc2Cl)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408634997	569985502	/nfs/dbraw/zinc/98/55/02/569985502.db2.gz	WGGZZJHEXBDEHI-BKUYFWCQSA-N	-1	0	498.391	6.575	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634989	569985559	/nfs/dbraw/zinc/98/55/59/569985559.db2.gz	WDZUTPJDBBRYCV-JXAWBTAJSA-N	-1	0	458.971	5.420	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408635160	569985568	/nfs/dbraw/zinc/98/55/68/569985568.db2.gz	XLMYBKQHPADISM-UCQKPKSFSA-N	-1	0	481.957	6.677	40	0		JKABRM
COc1cc(Br)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])c1O	ZINC000408635345	569985620	/nfs/dbraw/zinc/98/56/20/569985620.db2.gz	ZQCQTVPDFFWTJW-AUWJEWJLSA-N	-1	0	483.727	5.085	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)Sc1nc2ccccc2[nH]1	ZINC000408635268	569985622	/nfs/dbraw/zinc/98/56/22/569985622.db2.gz	YTUBRUKMKZRMOL-NHDPSOOVSA-N	-1	0	471.365	6.667	40	0		JKABRM
CCOC(=O)c1ccc(-c2ccc(C=C(Sc3n[nH]c(-c4ccc(Cl)cc4)n3)C(=O)[O-])o2)cc1	ZINC000408635359	569985641	/nfs/dbraw/zinc/98/56/41/569985641.db2.gz	ZVOLZPHUAZKRBX-MOSHPQCFSA-N	-1	0	495.944	5.780	40	0		JKABRM
COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000408635360	569985651	/nfs/dbraw/zinc/98/56/51/569985651.db2.gz	ZWRBGIDMYYPGDC-XKZIYDEJSA-N	-1	0	450.491	5.507	40	0		JKABRM
O=C([O-])/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)Sc1nc2ccccc2o1	ZINC000408635241	569985702	/nfs/dbraw/zinc/98/57/02/569985702.db2.gz	YNWQYSHWRYXGQP-UCQKPKSFSA-N	-1	0	469.522	5.639	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)N1CCCCC1	ZINC000408635622	569985948	/nfs/dbraw/zinc/98/59/48/569985948.db2.gz	GBXDHOTWFVCJLU-UHFFFAOYSA-N	-1	0	485.005	5.868	40	0		JKABRM
COc1cc2c(cc1S(=O)(=O)[N-]c1cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c1)CCCC2	ZINC000225252667	569986006	/nfs/dbraw/zinc/98/60/06/569986006.db2.gz	JFSRIOSNGLCWGG-UHFFFAOYSA-N	-1	0	492.641	5.925	40	0		JKABRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000408636019	569986300	/nfs/dbraw/zinc/98/63/00/569986300.db2.gz	KQBTWBKFPUZCFQ-UHFFFAOYSA-N	-1	0	464.465	5.076	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000408636407	569986654	/nfs/dbraw/zinc/98/66/54/569986654.db2.gz	PWSHJWPYHLBIJW-UHFFFAOYSA-N	-1	0	478.492	5.384	40	0		JKABRM
O=S(=O)([N-]c1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cc(Cl)ccc1Cl	ZINC000225335597	569991012	/nfs/dbraw/zinc/99/10/12/569991012.db2.gz	AQXJPDRFQBHJEL-UHFFFAOYSA-N	-1	0	462.383	5.980	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000225352456	569992352	/nfs/dbraw/zinc/99/23/52/569992352.db2.gz	MZSWSCIHXGGHBU-IZZNHLLZSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000225355168	569992589	/nfs/dbraw/zinc/99/25/89/569992589.db2.gz	XPBYSLBFEKFSII-UIOOFZCWSA-N	-1	0	499.592	6.004	40	0		JKABRM
O=C([N-]N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)c1ccc(Cl)cc1Cl	ZINC000408650287	569993665	/nfs/dbraw/zinc/99/36/65/569993665.db2.gz	MGGCRXQKOVLQDG-UHFFFAOYSA-N	-1	0	472.926	5.548	40	0		JKABRM
COC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2=C(C)C)[C@@H]1C(=O)[O-]	ZINC000225589035	570008080	/nfs/dbraw/zinc/00/80/80/570008080.db2.gz	PWOUHRSFYLGPIH-HDCGAATISA-N	-1	0	467.587	5.318	40	0		JKABRM
CC(C)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000225623020	570010432	/nfs/dbraw/zinc/01/04/32/570010432.db2.gz	HXXVPIISEMCBBD-UHFFFAOYSA-N	-1	0	471.391	5.021	40	0		JKABRM
COc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1	ZINC000225644225	570011901	/nfs/dbraw/zinc/01/19/01/570011901.db2.gz	VIROCXCAJGZQSF-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1	ZINC000408680496	570012287	/nfs/dbraw/zinc/01/22/87/570012287.db2.gz	MRIRKBSHBJDEBC-UHFFFAOYSA-N	-1	0	470.616	5.557	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCCCCC1	ZINC000408693375	570016019	/nfs/dbraw/zinc/01/60/19/570016019.db2.gz	QVPCWONTHWTJKL-UHFFFAOYSA-N	-1	0	480.586	5.305	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)N1CCCCCC1	ZINC000408693367	570016059	/nfs/dbraw/zinc/01/60/59/570016059.db2.gz	QMVCRXWMIVCBEZ-UHFFFAOYSA-N	-1	0	490.931	5.184	40	0		JKABRM
CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)cc2sc1=O	ZINC000225709080	570016489	/nfs/dbraw/zinc/01/64/89/570016489.db2.gz	QEGVNVDLLXXNIQ-UHFFFAOYSA-N	-1	0	456.614	5.596	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)c1	ZINC000408694421	570016896	/nfs/dbraw/zinc/01/68/96/570016896.db2.gz	GLLIAWNXUQOVQM-UHFFFAOYSA-N	-1	0	486.615	5.257	40	0		JKABRM
CCCn1c2ccc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)cc2sc1=O	ZINC000225726826	570018173	/nfs/dbraw/zinc/01/81/73/570018173.db2.gz	YNZKEGXTPCIPAN-UHFFFAOYSA-N	-1	0	456.614	5.425	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1NC(=O)CC	ZINC000408696876	570018910	/nfs/dbraw/zinc/01/89/10/570018910.db2.gz	FOLUVOTXFGYKCC-UHFFFAOYSA-N	-1	0	474.966	5.680	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)c1C	ZINC000225812931	570023012	/nfs/dbraw/zinc/02/30/12/570023012.db2.gz	VXFAKLPORZDXAM-UHFFFAOYSA-N	-1	0	496.938	5.706	40	0		JKABRM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000225833382	570023964	/nfs/dbraw/zinc/02/39/64/570023964.db2.gz	KXOABBWCTWVINH-UHFFFAOYSA-N	-1	0	485.418	5.023	40	0		JKABRM
O=C(c1cc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc2s1)N1CCCCC1	ZINC000408713325	570025489	/nfs/dbraw/zinc/02/54/89/570025489.db2.gz	SRECHRYHGARPQG-UHFFFAOYSA-N	-1	0	469.415	5.635	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@@H]1C(=O)Nc1cccc(Br)c1	ZINC000408721394	570026869	/nfs/dbraw/zinc/02/68/69/570026869.db2.gz	GSJIRFHZTWFMDW-NAVOZUGXSA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1	ZINC000408727609	570028428	/nfs/dbraw/zinc/02/84/28/570028428.db2.gz	QYMBJGHRUIIQHL-QPEQYQDCSA-N	-1	0	489.572	5.812	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1	ZINC000408748982	570033363	/nfs/dbraw/zinc/03/33/63/570033363.db2.gz	DDDFPLVSWYNGBC-JKSUJKDBSA-N	-1	0	495.453	6.725	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1	ZINC000408749695	570033690	/nfs/dbraw/zinc/03/36/90/570033690.db2.gz	IWIGLFAKJJWKJJ-DLBZAZTESA-N	-1	0	489.018	5.754	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749824	570033772	/nfs/dbraw/zinc/03/37/72/570033772.db2.gz	JCLIPMRRULUYOK-ZWKOTPCHSA-N	-1	0	497.642	5.473	40	0		JKABRM
COc1ccc(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750201	570033970	/nfs/dbraw/zinc/03/39/70/570033970.db2.gz	LLNNOSIPBVVBQI-ZWKOTPCHSA-N	-1	0	456.589	5.427	40	0		JKABRM
COc1ccc(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750200	570033981	/nfs/dbraw/zinc/03/39/81/570033981.db2.gz	LLNNOSIPBVVBQI-ROUUACIJSA-N	-1	0	456.589	5.427	40	0		JKABRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1	ZINC000408750796	570034112	/nfs/dbraw/zinc/03/41/12/570034112.db2.gz	RVDDUVPNQHWYTJ-SJORKVTESA-N	-1	0	454.573	5.101	40	0		JKABRM
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c1	ZINC000408751022	570034177	/nfs/dbraw/zinc/03/41/77/570034177.db2.gz	VMSBYLGZMOPGIM-MSOLQXFVSA-N	-1	0	483.615	5.165	40	0		JKABRM
Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3s2)c1	ZINC000408750998	570034217	/nfs/dbraw/zinc/03/42/17/570034217.db2.gz	VETYIFMNZQZVFI-UHFFFAOYSA-N	-1	0	491.594	5.594	40	0		JKABRM
COc1ccc(OC)c(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408751143	570034320	/nfs/dbraw/zinc/03/43/20/570034320.db2.gz	WYYMNGAUEMUUNK-QZTJIDSGSA-N	-1	0	486.615	5.435	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)S2)cc1	ZINC000408775507	570040051	/nfs/dbraw/zinc/04/00/51/570040051.db2.gz	TXELADBEGGILNB-MTCPJELPSA-N	-1	0	454.935	5.460	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c([O-])c(Br)c3)S2)cc1	ZINC000408779849	570041198	/nfs/dbraw/zinc/04/11/98/570041198.db2.gz	MCDVMNFSSJCEGS-YHTSIIMFSA-N	-1	0	484.213	5.079	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c([O-])c(Br)c3)S2)cc1	ZINC000408779848	570041206	/nfs/dbraw/zinc/04/12/06/570041206.db2.gz	MCDVMNFSSJCEGS-IDGGIGOKSA-N	-1	0	484.213	5.079	40	0		JKABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)S2)cc1	ZINC000408781896	570041887	/nfs/dbraw/zinc/04/18/87/570041887.db2.gz	FNSRISDGUBUZSA-LKWZWFHSSA-N	-1	0	490.581	5.134	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)S2)cc1	ZINC000408790942	570043995	/nfs/dbraw/zinc/04/39/95/570043995.db2.gz	UPXMLLFMLYNBLH-GAISBVLPSA-N	-1	0	454.935	5.460	40	0		JKABRM
COc1cc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1OCC(=O)[O-]	ZINC000408803584	570046566	/nfs/dbraw/zinc/04/65/66/570046566.db2.gz	QUTZUSGBBRJVBD-AFYCAVJTSA-N	-1	0	481.594	5.213	40	0		JKABRM
COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1	ZINC000408827809	570052573	/nfs/dbraw/zinc/05/25/73/570052573.db2.gz	UYZUCCSCISEMGU-UHFFFAOYSA-N	-1	0	490.344	5.723	40	0		JKABRM
O=C([O-])Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Oc2ccccc2)cc1	ZINC000408883610	570063621	/nfs/dbraw/zinc/06/36/21/570063621.db2.gz	VSBSJRWUGIULMM-UHFFFAOYSA-N	-1	0	471.365	7.280	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/SC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1	ZINC000408903552	570069961	/nfs/dbraw/zinc/06/99/61/570069961.db2.gz	ZPURYWLDDLLSBO-OEAKJJBVSA-N	-1	0	454.507	5.629	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1	ZINC000408922468	570077633	/nfs/dbraw/zinc/07/76/33/570077633.db2.gz	BEOZMYPFORSFRS-RIYZIHGNSA-N	-1	0	456.951	5.110	40	0		JKABRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Br)cc(Cl)c3[O-])C2=O)cc1C	ZINC000408928632	570079152	/nfs/dbraw/zinc/07/91/52/570079152.db2.gz	COLJPAOAAXPVGC-APSNUPSMSA-N	-1	0	495.782	5.100	40	0		JKABRM
C[C@H](C(=O)OCCCCCC(=O)OCCCCCC(=O)[O-])c1cccc(C(=O)c2ccccc2)c1	ZINC000252007377	570079884	/nfs/dbraw/zinc/07/98/84/570079884.db2.gz	POINWAAFQADCEZ-NRFANRHFSA-N	-1	0	482.573	5.313	40	0		JKABRM
Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408959824	570085406	/nfs/dbraw/zinc/08/54/06/570085406.db2.gz	GKGZOYOCBMNVQR-UCQKPKSFSA-N	-1	0	459.523	5.509	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000408961716	570086116	/nfs/dbraw/zinc/08/61/16/570086116.db2.gz	UVQFYNRYGRFZLK-XKZIYDEJSA-N	-1	0	463.486	5.339	40	0		JKABRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	ZINC000408968908	570088346	/nfs/dbraw/zinc/08/83/46/570088346.db2.gz	CTXQRCYCFNNROZ-UHFFFAOYSA-N	-1	0	489.380	6.086	40	0		JKABRM
CCc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2sc3ccccc3c2Cl)cc1	ZINC000408970993	570088716	/nfs/dbraw/zinc/08/87/16/570088716.db2.gz	FNMDVQFMYSZZGW-UHFFFAOYSA-N	-1	0	452.963	5.987	40	0		JKABRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(N3Cc4ccccc4C3)cc2)cc1	ZINC000408972960	570089136	/nfs/dbraw/zinc/08/91/36/570089136.db2.gz	XHMPGRYGJBPPCG-UHFFFAOYSA-N	-1	0	465.553	5.385	40	0		JKABRM
Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)[O-])cc4[C@H]4c5ccccc5C[C@@H]43)cc2)cc1	ZINC000408989927	570093670	/nfs/dbraw/zinc/09/36/70/570093670.db2.gz	JJYLZWJAVYPGBJ-SHSRKSKBSA-N	-1	0	461.561	6.743	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2	ZINC000408993473	570094867	/nfs/dbraw/zinc/09/48/67/570094867.db2.gz	DGCCEPFIMKLMNZ-PKXQUSJVSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	ZINC000408996655	570095438	/nfs/dbraw/zinc/09/54/38/570095438.db2.gz	MALDDUJTSVUOKN-ZXRKZBAXSA-N	-1	0	481.979	7.088	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@H]1Cc3ccccc3[C@@H]21	ZINC000409000478	570096158	/nfs/dbraw/zinc/09/61/58/570096158.db2.gz	YVUFYWXZVYYNMM-QKDODKLFSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)[C@@H]1Cc3ccccc3[C@H]21	ZINC000409000468	570096180	/nfs/dbraw/zinc/09/61/80/570096180.db2.gz	YVUFYWXZVYYNMM-PFBJBMPXSA-N	-1	0	461.517	6.075	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccccc3Cl)cc1)[C@@H]1Cc3ccccc3[C@@H]21	ZINC000409000924	570096328	/nfs/dbraw/zinc/09/63/28/570096328.db2.gz	NYONPUUOAQJZKU-FPNNDXFKSA-N	-1	0	481.979	7.088	40	0		JKABRM
C[C@H](C(=O)OCCCCCC(=O)OCCCCCC(=O)[O-])c1ccc(C(=O)c2ccccc2)s1	ZINC000253605732	570104256	/nfs/dbraw/zinc/10/42/56/570104256.db2.gz	BFLSQJHRKHJBLT-IBGZPJMESA-N	-1	0	488.602	5.374	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C	ZINC000254697461	570106065	/nfs/dbraw/zinc/10/60/65/570106065.db2.gz	WCGUUGGRBIKTOS-WZQLULPISA-N	-1	0	456.711	7.090	40	0	endogenous,in-man	JKABRM
CC(C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000256411144	570107172	/nfs/dbraw/zinc/10/71/72/570107172.db2.gz	DGRKFKQXESLUJC-LZDCQXFDSA-N	-1	0	496.732	7.747	40	0		JKABRM
CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	ZINC000409040980	570107456	/nfs/dbraw/zinc/10/74/56/570107456.db2.gz	IVPPXUUHSDWFBT-STZFKDTASA-N	-1	0	478.957	5.222	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(C)(C)C)ccc2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257204569	570109156	/nfs/dbraw/zinc/10/91/56/570109156.db2.gz	AVGACZVMAKAGPB-PPJWLVRDSA-N	-1	0	473.997	5.589	40	0		JKABRM
C[C@H](CNc1ncc(C(=O)[O-])c(COc2ccc3c(c2)CCCC3)n1)Oc1ccccc1Cl	ZINC000257206193	570109754	/nfs/dbraw/zinc/10/97/54/570109754.db2.gz	BCGMWNVUEVZAQS-MRXNPFEDSA-N	-1	0	467.953	5.165	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCC(=O)[O-])Cc3ccc(Cl)cc3)ccc2O1	ZINC000257209417	570110786	/nfs/dbraw/zinc/11/07/86/570110786.db2.gz	BQHKPZVZHPGYHC-HHHXNRCGSA-N	-1	0	481.951	5.533	40	0		JKABRM
CN(CCCc1nc(N2CCC[C@H]2c2cccc(Br)c2)ncc1C(=O)[O-])c1ccccc1	ZINC000257210244	570111103	/nfs/dbraw/zinc/11/11/03/570111103.db2.gz	BTTQONQFDUHQDC-QHCPKHFHSA-N	-1	0	495.421	5.348	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(C)ccc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257210953	570111445	/nfs/dbraw/zinc/11/14/45/570111445.db2.gz	BWWDSUZWMLQDKB-UHFFFAOYSA-N	-1	0	456.542	5.630	40	0		JKABRM
CC(C)Cn1nc(-c2cc(CCC(=O)[O-])ccc2OCc2cccc(Cl)c2)cc1-c1ccccc1	ZINC000257214224	570112372	/nfs/dbraw/zinc/11/23/72/570112372.db2.gz	CLCWWVHSEFRWCG-UHFFFAOYSA-N	-1	0	489.015	7.123	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(CCC(=O)N(CCC(=O)[O-])CCc3ccccc3)ccc2O1	ZINC000257214667	570112521	/nfs/dbraw/zinc/11/25/21/570112521.db2.gz	CMYNYYOQGCFRMD-PMERELPUSA-N	-1	0	471.597	5.102	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CC(=O)[O-])Cc3ccccc3)ccc2O1	ZINC000257218363	570113612	/nfs/dbraw/zinc/11/36/12/570113612.db2.gz	DCWBEDMURITTBO-MUUNZHRXSA-N	-1	0	477.988	5.322	40	0		JKABRM
COc1ccc(CN(Cc2ccc(C(C)C)cc2)C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])cc1	ZINC000257222131	570114743	/nfs/dbraw/zinc/11/47/43/570114743.db2.gz	DSBNWCXAXFVUMZ-UHFFFAOYSA-N	-1	0	489.612	6.248	40	0		JKABRM
CC(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)c1	ZINC000257225022	570115598	/nfs/dbraw/zinc/11/55/98/570115598.db2.gz	FEMSIVCRYGXFEG-UHFFFAOYSA-N	-1	0	458.533	6.186	40	0		JKABRM
Cn1cc(CCCc2nc(N3CCCC[C@@H]3CCc3ccccc3)ncc2C(=O)[O-])c2ccccc21	ZINC000257227869	570116433	/nfs/dbraw/zinc/11/64/33/570116433.db2.gz	FRHMMOOWYHPJMM-XMMPIXPASA-N	-1	0	482.628	5.834	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3)n2)c1	ZINC000257228642	570116690	/nfs/dbraw/zinc/11/66/90/570116690.db2.gz	FURGUSNANHAVDN-UHFFFAOYSA-N	-1	0	450.897	6.025	40	0		JKABRM
CCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OC)n(Cc2ccccc2)n1	ZINC000257228597	570116695	/nfs/dbraw/zinc/11/66/95/570116695.db2.gz	FUNBFMSEFBSJIA-UHFFFAOYSA-N	-1	0	456.542	5.690	40	0		JKABRM
C[C@]1(Cc2ccc(F)cc2)Cc2cc(CC(=O)N(CCC(=O)[O-])Cc3ccc(Cl)cc3)ccc2O1	ZINC000257230805	570117221	/nfs/dbraw/zinc/11/72/21/570117221.db2.gz	GDZVATFXZZHLNU-NDEPHWFRSA-N	-1	0	495.978	5.461	40	0		JKABRM
CC(C)Oc1ccccc1CN(CC(=O)[O-])C(=O)CCn1c2ccccc2nc1C1CCCCC1	ZINC000257232296	570117656	/nfs/dbraw/zinc/11/76/56/570117656.db2.gz	GKGOKMAJQJIDPH-UHFFFAOYSA-N	-1	0	477.605	5.375	40	0		JKABRM
CCCc1nc(CCCOc2cc(C)c(Cl)c(C)c2)c(C(=O)[O-])cc1-c1ccccc1F	ZINC000257233625	570118181	/nfs/dbraw/zinc/11/81/81/570118181.db2.gz	GQAIEFKUEZVKHN-UHFFFAOYSA-N	-1	0	455.957	6.820	40	0		JKABRM
COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2	ZINC000257234710	570118406	/nfs/dbraw/zinc/11/84/06/570118406.db2.gz	GUUPCDGASJVWKQ-PMERELPUSA-N	-1	0	487.596	5.482	40	0		JKABRM
COc1cccc(C(=O)[O-])c1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)c1ccccc1	ZINC000257236093	570118860	/nfs/dbraw/zinc/11/88/60/570118860.db2.gz	HASQWRVPVXRWFK-KRWDZBQOSA-N	-1	0	453.922	5.216	40	0		JKABRM
O=C([O-])CCN(CCc1cccc(Cl)c1)C(=O)COc1ccccc1Oc1ccccc1	ZINC000257236349	570119004	/nfs/dbraw/zinc/11/90/04/570119004.db2.gz	HBTJIKQSRYRLHU-UHFFFAOYSA-N	-1	0	453.922	5.057	40	0		JKABRM
CC(C)(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c1	ZINC000257239311	570120087	/nfs/dbraw/zinc/12/00/87/570120087.db2.gz	HOTBXFGIZOLJHV-UHFFFAOYSA-N	-1	0	489.015	6.874	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(OCc2cccc(Cl)c2)c1	ZINC000257241892	570120674	/nfs/dbraw/zinc/12/06/74/570120674.db2.gz	IACCHUKLNJIUPH-UHFFFAOYSA-N	-1	0	483.895	5.365	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3OC)n2)c1	ZINC000257244355	570121285	/nfs/dbraw/zinc/12/12/85/570121285.db2.gz	IKYMHCJBZAALRI-UHFFFAOYSA-N	-1	0	460.505	5.439	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2cccc(Br)c2)nc1COc1ccccc1Cl	ZINC000257245018	570121639	/nfs/dbraw/zinc/12/16/39/570121639.db2.gz	INUFABFSGPRMQJ-LJQANCHMSA-N	-1	0	488.769	5.511	40	0		JKABRM
COc1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Br)cc3)ncc2C(=O)[O-])cc1	ZINC000257249387	570122991	/nfs/dbraw/zinc/12/29/91/570122991.db2.gz	JICCDWUQEDPGOE-QFIPXVFZSA-N	-1	0	482.378	5.073	40	0		JKABRM
COc1ccccc1CN(C(=O)COc1ccc(Cl)cc1C(=O)[O-])[C@@H](C)c1ccccc1	ZINC000257251236	570123597	/nfs/dbraw/zinc/12/35/97/570123597.db2.gz	JPZHZSUZQMBCGT-KRWDZBQOSA-N	-1	0	453.922	5.216	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(C(C)(C)C)ccc3OCC(=O)[O-])nn2CC(C)C)c1OC	ZINC000257251440	570123612	/nfs/dbraw/zinc/12/36/12/570123612.db2.gz	JQTPRJJKKUIIEQ-UHFFFAOYSA-N	-1	0	466.578	5.651	40	0		JKABRM
O=C([O-])c1sc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1	ZINC000257254027	570124506	/nfs/dbraw/zinc/12/45/06/570124506.db2.gz	KBGXHILEHFYAJG-LJQANCHMSA-N	-1	0	491.396	5.481	40	0		JKABRM
CCc1ccc(OCC(=O)[O-])c(-c2cc(-c3cccc(OC)c3OC)n(-c3ccc(Cl)cc3)n2)c1	ZINC000257255732	570124976	/nfs/dbraw/zinc/12/49/76/570124976.db2.gz	KIQYLWDOIQZFER-UHFFFAOYSA-N	-1	0	492.959	5.903	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(CCCC)n1	ZINC000257260670	570126589	/nfs/dbraw/zinc/12/65/89/570126589.db2.gz	LDVJOAFENMLQOI-UHFFFAOYSA-N	-1	0	450.579	6.222	40	0		JKABRM
O=C([O-])CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cccc(OCc2ccc(F)cc2)c1	ZINC000257260879	570126623	/nfs/dbraw/zinc/12/66/23/570126623.db2.gz	LEVWWCNVPMWSHT-UHFFFAOYSA-N	-1	0	461.411	5.151	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(OCc2ccc(Br)cc2)c1	ZINC000257261442	570126740	/nfs/dbraw/zinc/12/67/40/570126740.db2.gz	LHIJQKZHUMWVRV-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccc(F)cc3Cl)ccc2O1	ZINC000257263354	570127489	/nfs/dbraw/zinc/12/74/89/570127489.db2.gz	LPMNZQYOBLMHBQ-AREMUKBSSA-N	-1	0	485.914	5.282	40	0		JKABRM
COc1ccccc1[C@H]1CCCN1c1ncc(C(=O)[O-])c(CCCc2cn(C)c3ccccc23)n1	ZINC000257264566	570127774	/nfs/dbraw/zinc/12/77/74/570127774.db2.gz	LVAPQRTVDOLBRW-RUZDIDTESA-N	-1	0	470.573	5.192	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccccc3)ccc2O1	ZINC000257264762	570127786	/nfs/dbraw/zinc/12/77/86/570127786.db2.gz	LVXRZAMZGLVMPC-MHZLTWQESA-N	-1	0	481.951	5.071	40	0		JKABRM
Cn1cc(CCCc2nc(N3CCC[C@H]3c3cccc(F)c3)ncc2C(=O)[O-])c2ccccc21	ZINC000257265855	570128257	/nfs/dbraw/zinc/12/82/57/570128257.db2.gz	MAQMMLNUTJBGSG-DEOSSOPVSA-N	-1	0	458.537	5.322	40	0		JKABRM
O=C([N-]S(=O)(=O)c1ccccc1Br)c1cccc(F)c1Oc1ccc(Cl)cc1	ZINC000257267561	570128808	/nfs/dbraw/zinc/12/88/08/570128808.db2.gz	MHVJSMVSRVEXPC-UHFFFAOYSA-N	-1	0	484.730	5.153	40	0		JKABRM
CCc1ccc2c(c1)[C@H]1O[C@@H](CC(=O)[N-]S(=O)(=O)c3cccc(Cl)c3C)CC[C@@H]1C(C)(C)O2	ZINC000257268818	570129312	/nfs/dbraw/zinc/12/93/12/570129312.db2.gz	MNHZSRPWJBTEJT-YIGJPRQDSA-N	-1	0	492.037	5.113	40	0		JKABRM
CCn1cc(CCc2nc(NCCOc3cc(C)cc(C)c3)ncc2C(=O)[O-])c2ccccc21	ZINC000257269655	570129544	/nfs/dbraw/zinc/12/95/44/570129544.db2.gz	MQULEKIOXMVOSS-UHFFFAOYSA-N	-1	0	458.562	5.042	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)Cc1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257271395	570129968	/nfs/dbraw/zinc/12/99/68/570129968.db2.gz	MYDAMGJWPHPHST-LJAQVGFWSA-N	-1	0	492.015	5.283	40	0		JKABRM
Cc1ccc(Oc2c(F)cccc2C(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000257271277	570130054	/nfs/dbraw/zinc/13/00/54/570130054.db2.gz	MXQFGSHCFWWFKU-UHFFFAOYSA-N	-1	0	453.413	5.064	40	0		JKABRM
CC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3)n2)c(OCC(=O)[O-])c1	ZINC000257271866	570130171	/nfs/dbraw/zinc/13/01/71/570130171.db2.gz	NACYUTZVMJNDPF-UHFFFAOYSA-N	-1	0	478.951	6.760	40	0		JKABRM
Cc1ccc2[nH]c(C(=O)N(CC(=O)[O-])Cc3ccc(F)c(Cl)c3)c(-c3ccccc3)c2c1	ZINC000257272001	570130223	/nfs/dbraw/zinc/13/02/23/570130223.db2.gz	NARUXJJOSYXABE-UHFFFAOYSA-N	-1	0	450.897	5.663	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(CC(=O)N(CC(=O)[O-])Cc3ccc(F)cc3)ccc2O1	ZINC000257274377	570130902	/nfs/dbraw/zinc/13/09/02/570130902.db2.gz	NKUDBPIEYGJAPJ-MHZLTWQESA-N	-1	0	499.941	5.210	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257275195	570131155	/nfs/dbraw/zinc/13/11/55/570131155.db2.gz	NOIAMFRPBJVACI-HHHXNRCGSA-N	-1	0	498.406	5.699	40	0		JKABRM
COc1cccc(CN(C(=O)COc2c(Cl)cccc2C(=O)[O-])[C@H](C)c2ccccc2)c1	ZINC000257276213	570131412	/nfs/dbraw/zinc/13/14/12/570131412.db2.gz	NSVBJXYLRZQLJI-QGZVFWFLSA-N	-1	0	453.922	5.216	40	0		JKABRM
O=C([O-])c1cnc([C@H]2CCCCN2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1	ZINC000257276806	570131576	/nfs/dbraw/zinc/13/15/76/570131576.db2.gz	NVEWWKMDVCFMKH-HSZRJFAPSA-N	-1	0	453.945	5.480	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(Cl)c(C)cc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257276754	570131604	/nfs/dbraw/zinc/13/16/04/570131604.db2.gz	NUYSURQDAWXDAZ-XJUOHMSHSA-N	-1	0	466.361	5.253	40	0		JKABRM
O=C([O-])c1cnc([C@@H]2CCCCN2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1	ZINC000257276807	570131629	/nfs/dbraw/zinc/13/16/29/570131629.db2.gz	NVEWWKMDVCFMKH-QHCPKHFHSA-N	-1	0	453.945	5.480	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@H]2c2ccc(Br)cc2)nc1CCc1cccc(F)c1	ZINC000257277726	570131987	/nfs/dbraw/zinc/13/19/87/570131987.db2.gz	NZDLQCZAFJRCTP-NRFANRHFSA-N	-1	0	470.342	5.203	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257278969	570132441	/nfs/dbraw/zinc/13/24/41/570132441.db2.gz	OEKSZNYRXRQXOW-MHZLTWQESA-N	-1	0	481.951	5.185	40	0		JKABRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)c2ccccc2)c1	ZINC000257286440	570134634	/nfs/dbraw/zinc/13/46/34/570134634.db2.gz	PLPIUTIGBLWMCD-QGZVFWFLSA-N	-1	0	453.922	5.216	40	0		JKABRM
CC(C)Oc1cccc(CN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@](C)(Cc2ccccc2F)O3)c1	ZINC000257289025	570135253	/nfs/dbraw/zinc/13/52/53/570135253.db2.gz	PWRIFUJIXBFBRI-LJAQVGFWSA-N	-1	0	491.559	5.276	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)Cc2ccc3c(c2)C[C@@](C)(Cc2ccc(Cl)c(F)c2)O3)cc1	ZINC000257291051	570135845	/nfs/dbraw/zinc/13/58/45/570135845.db2.gz	QFJUVUNDIDQMPS-MUUNZHRXSA-N	-1	0	495.978	5.380	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(C(C)(C)C)ccc2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257292415	570136276	/nfs/dbraw/zinc/13/62/76/570136276.db2.gz	QLHVHTPLJYXQTF-PPJWLVRDSA-N	-1	0	457.542	5.074	40	0		JKABRM
CC(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)c1	ZINC000257295005	570136896	/nfs/dbraw/zinc/13/68/96/570136896.db2.gz	QWOXSDKXIIRONJ-UHFFFAOYSA-N	-1	0	460.961	6.506	40	0		JKABRM
Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)cc2Cl)c1	ZINC000409124166	570137068	/nfs/dbraw/zinc/13/70/68/570137068.db2.gz	JMMXGYYHXZMIII-LZYBPNLTSA-N	-1	0	452.315	5.002	40	0		JKABRM
Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H](C(=O)[O-])[C@@H]([C@@H](NC(=O)OCc3ccccc3)C(C)C)O[C@@H]21	ZINC000257297802	570137807	/nfs/dbraw/zinc/13/78/07/570137807.db2.gz	RIWCIFKWAOQHQH-UCKGJNPHSA-N	-1	0	481.589	5.264	40	0		JKABRM
COc1cccc(C(=O)[O-])c1OCC(=O)N(Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1	ZINC000257300391	570138483	/nfs/dbraw/zinc/13/84/83/570138483.db2.gz	RUCKTCAZSAXFKE-UHFFFAOYSA-N	-1	0	461.558	5.299	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)N(CCc3cccc(F)c3)CC(=O)[O-])ccc2O1	ZINC000257300463	570138629	/nfs/dbraw/zinc/13/86/29/570138629.db2.gz	RUJQOERHCGDVDA-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)cc2)cc1	ZINC000409128025	570138957	/nfs/dbraw/zinc/13/89/57/570138957.db2.gz	KLXHSMIVMJTXCY-JJIBRWJFSA-N	-1	0	473.550	5.633	40	0		JKABRM
CC(C)(C)c1ccc2c(c1)[C@H]1O[C@H]3CCN(C(=O)CC(C)(C)CC(=O)[O-])[C@H]3C[C@@H]1C(C)(C)O2	ZINC000257302845	570139268	/nfs/dbraw/zinc/13/92/68/570139268.db2.gz	SERQSHJVHAZKQS-OEEHMVQOSA-N	-1	0	457.611	5.093	40	0		JKABRM
O=C([O-])CCN(CCc1cccc(Cl)c1)C(=O)c1ccc(OCc2ccccc2F)cc1	ZINC000257305765	570140085	/nfs/dbraw/zinc/14/00/85/570140085.db2.gz	SRLPHXZASGQGCV-UHFFFAOYSA-N	-1	0	455.913	5.218	40	0		JKABRM
O=C1S/C(=C/c2cc(Cl)cc(Br)c2[O-])C(=O)N1CCCc1ccccc1	ZINC000409131175	570140145	/nfs/dbraw/zinc/14/01/45/570140145.db2.gz	KAHYJCYHVJKLCP-MHWRWJLKSA-N	-1	0	452.757	5.477	40	0		JKABRM
COc1ccc(CN(Cc2ccc(C(C)C)cc2)C(=O)COc2c(Cl)cccc2C(=O)[O-])cc1	ZINC000257308307	570140910	/nfs/dbraw/zinc/14/09/10/570140910.db2.gz	TWGQOHNPCOTUDJ-UHFFFAOYSA-N	-1	0	481.976	5.778	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccccc1Cl	ZINC000409133580	570141314	/nfs/dbraw/zinc/14/13/14/570141314.db2.gz	NCFMGTQDXYLAJQ-RQZCQDPDSA-N	-1	0	482.341	5.092	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1COc1ccc(Cl)cc1	ZINC000257311918	570141998	/nfs/dbraw/zinc/14/19/98/570141998.db2.gz	ULPBFMGPPQOCFZ-XMMPIXPASA-N	-1	0	464.949	5.309	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc3c(cc2OCC(=O)[O-])OCO3)nn1CCc1ccccc1	ZINC000257311568	570142042	/nfs/dbraw/zinc/14/20/42/570142042.db2.gz	UKBLPIZYTVWMKB-UHFFFAOYSA-N	-1	0	486.524	5.051	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1	ZINC000257314209	570142697	/nfs/dbraw/zinc/14/26/97/570142697.db2.gz	UVUITRUAQHEKJZ-HSZRJFAPSA-N	-1	0	469.368	5.584	40	0		JKABRM
CCCOc1ccc(CCC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000257315279	570143087	/nfs/dbraw/zinc/14/30/87/570143087.db2.gz	VAPMXHDFZRTPIE-UHFFFAOYSA-N	-1	0	495.406	7.319	40	0		JKABRM
COc1ccc(-c2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3OC(C)C)c3ccccc3n2)cc1	ZINC000257315837	570143229	/nfs/dbraw/zinc/14/32/29/570143229.db2.gz	VCYWHSXUNUDKFY-UHFFFAOYSA-N	-1	0	484.552	5.425	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O	ZINC000409138203	570143286	/nfs/dbraw/zinc/14/32/86/570143286.db2.gz	ZMAYIMYLWXXGQI-VIZOYTHASA-N	-1	0	472.733	5.347	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O	ZINC000409140092	570144153	/nfs/dbraw/zinc/14/41/53/570144153.db2.gz	PVZOAHUJMFGEHU-QGMBQPNBSA-N	-1	0	461.326	5.117	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@@](C)(Cc2ccc(Cl)c(F)c2)O3)c1	ZINC000257320179	570144520	/nfs/dbraw/zinc/14/45/20/570144520.db2.gz	VVQSNBOPKDOFCH-MUUNZHRXSA-N	-1	0	495.978	5.493	40	0		JKABRM
COc1cccc([C@H]2c3ccccc3CCN2c2ncc(C(=O)[O-])c(CCc3ccc(F)cc3)n2)c1	ZINC000257320780	570144648	/nfs/dbraw/zinc/14/46/48/570144648.db2.gz	VYPCIQVVRNKWNT-MHZLTWQESA-N	-1	0	483.543	5.260	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3F)ccc2O1	ZINC000257321628	570144908	/nfs/dbraw/zinc/14/49/08/570144908.db2.gz	WCKSCKOHQLVXCD-SANMLTNESA-N	-1	0	485.914	5.282	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3F)ccc2O1	ZINC000257321627	570144924	/nfs/dbraw/zinc/14/49/24/570144924.db2.gz	WCKSCKOHQLVXCD-AREMUKBSSA-N	-1	0	485.914	5.282	40	0		JKABRM
CC(C)COc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257330367	570147727	/nfs/dbraw/zinc/14/77/27/570147727.db2.gz	XOBLZZUOCLGOOL-UHFFFAOYSA-N	-1	0	458.533	6.332	40	0		JKABRM
C[C@@]1(Cc2ccccc2)Cc2cc(C(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257330655	570147728	/nfs/dbraw/zinc/14/77/28/570147728.db2.gz	XPIQHDNQMJQVCZ-HHHXNRCGSA-N	-1	0	463.961	5.046	40	0		JKABRM
COc1ccc([C@@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1	ZINC000257330678	570147823	/nfs/dbraw/zinc/14/78/23/570147823.db2.gz	XPLJPXVZBZEUJB-QFIPXVFZSA-N	-1	0	497.979	5.383	40	0		JKABRM
COc1ccc([C@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)c(OC)c1	ZINC000257330677	570147856	/nfs/dbraw/zinc/14/78/56/570147856.db2.gz	XPLJPXVZBZEUJB-JOCHJYFZSA-N	-1	0	497.979	5.383	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409149160	570148484	/nfs/dbraw/zinc/14/84/84/570148484.db2.gz	YIVQBDBLDPQTMM-BUVRLJJBSA-N	-1	0	495.597	5.979	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2Cl)c1	ZINC000409149123	570148512	/nfs/dbraw/zinc/14/85/12/570148512.db2.gz	XTPACONKPIJZOL-LPYMAVHISA-N	-1	0	485.989	6.234	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1CCCc1ccccc1	ZINC000257334553	570148824	/nfs/dbraw/zinc/14/88/24/570148824.db2.gz	YGKOPNYIHBQRTO-VWLOTQADSA-N	-1	0	478.976	5.351	40	0		JKABRM
CN(CCCc1nc(N2CCCC[C@@H]2CCc2ccccc2)ncc1C(=O)[O-])c1ccccc1	ZINC000257337717	570149743	/nfs/dbraw/zinc/14/97/43/570149743.db2.gz	YUBXFARCWRNAOF-XMMPIXPASA-N	-1	0	458.606	5.236	40	0		JKABRM
CC(C)COc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1	ZINC000257337964	570149862	/nfs/dbraw/zinc/14/98/62/570149862.db2.gz	YVGAKXDGQCFASU-UHFFFAOYSA-N	-1	0	458.533	6.066	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCc3cccc(F)c3)CC(=O)[O-])ccc2O1	ZINC000257339076	570150174	/nfs/dbraw/zinc/15/01/74/570150174.db2.gz	ZACJHZRQIXJKIH-HHHXNRCGSA-N	-1	0	499.941	5.324	40	0		JKABRM
O=C([O-])c1sc([C@@H]2CCCN2S(=O)(=O)CCCc2ccccc2)nc1CCCc1ccccc1	ZINC000257339899	570150437	/nfs/dbraw/zinc/15/04/37/570150437.db2.gz	ZDPMJGGBCCPVDI-QHCPKHFHSA-N	-1	0	498.670	5.116	40	0		JKABRM
COc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2C(=O)[O-])[C@@H](C)c2ccccc2)cc1	ZINC000257344326	570151645	/nfs/dbraw/zinc/15/16/45/570151645.db2.gz	ZWSFVHRKSDAVAR-FQEVSTJZSA-N	-1	0	461.558	5.686	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC(=O)[O-])[C@]1(C)CC3	ZINC000257347038	570152081	/nfs/dbraw/zinc/15/20/81/570152081.db2.gz	OBBXOFBLEKETGL-PCGNZMCUSA-N	-1	0	458.683	7.168	40	0		JKABRM
O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1cccc(Cl)c1	ZINC000409165890	570153249	/nfs/dbraw/zinc/15/32/49/570153249.db2.gz	BLMGOYXAUYPRTR-NSIKDUERSA-N	-1	0	457.722	5.027	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000409175581	570156702	/nfs/dbraw/zinc/15/67/02/570156702.db2.gz	ZZDKQMMNFNNMTE-UHFFFAOYSA-N	-1	0	472.566	5.724	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)N21	ZINC000260777600	570157843	/nfs/dbraw/zinc/15/78/43/570157843.db2.gz	QDKADQGGDWOSRE-IFZYUDKTSA-N	-1	0	453.951	5.673	40	0		JKABRM
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(Oc4ccccc4)cc2)C3=O)cc1	ZINC000409179186	570158219	/nfs/dbraw/zinc/15/82/19/570158219.db2.gz	QGVAQUBENMITMY-UHFFFAOYSA-N	-1	0	463.445	5.209	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c(Cl)c1Cl	ZINC000409181195	570159280	/nfs/dbraw/zinc/15/92/80/570159280.db2.gz	YVQARQQJRFMOCF-CQSZACIVSA-N	-1	0	479.385	5.294	40	0		JKABRM
Cc1nnc(SC(=Cc2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[O-])[nH]1	ZINC000409187726	570160960	/nfs/dbraw/zinc/16/09/60/570160960.db2.gz	AZCSDSQCUAGQGT-JAIQZWGSSA-N	-1	0	483.391	5.405	40	0		JKABRM
Cc1nnc(SC(=Cc2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[O-])[nH]1	ZINC000409189705	570161511	/nfs/dbraw/zinc/16/15/11/570161511.db2.gz	NGYLUBHPMKAHFN-JMIUGGIZSA-N	-1	0	473.385	5.949	40	0		JKABRM
O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000409195997	570163553	/nfs/dbraw/zinc/16/35/53/570163553.db2.gz	YADFSIUSOPZWSF-VGOFMYFVSA-N	-1	0	458.706	5.351	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409209611	570168915	/nfs/dbraw/zinc/16/89/15/570168915.db2.gz	GTUFOHICRSMSQT-LZYBPNLTSA-N	-1	0	468.314	5.096	40	0		JKABRM
O=C1S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409211079	570169762	/nfs/dbraw/zinc/16/97/62/570169762.db2.gz	KNRABWLNLJEUBF-WLRTZDKTSA-N	-1	0	489.572	5.812	40	0		JKABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1	ZINC000409216473	570172712	/nfs/dbraw/zinc/17/27/12/570172712.db2.gz	LLSUCKVJNHMWJQ-CIAFOILYSA-N	-1	0	465.914	5.858	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)o1	ZINC000409216720	570172927	/nfs/dbraw/zinc/17/29/27/570172927.db2.gz	KPCHMDXGUFKCID-ODLFYWEKSA-N	-1	0	484.327	5.644	40	0		JKABRM
CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000409223216	570175120	/nfs/dbraw/zinc/17/51/20/570175120.db2.gz	DNYAGGAIKPKKLB-WOJGMQOQSA-N	-1	0	476.348	5.173	40	0		JKABRM
O=C(CN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1ccccc1Cl	ZINC000409227860	570176435	/nfs/dbraw/zinc/17/64/35/570176435.db2.gz	SDWMGHHZTAIXFQ-VGOFMYFVSA-N	-1	0	457.722	5.027	40	0		JKABRM
CCNc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329008073	570181375	/nfs/dbraw/zinc/18/13/75/570181375.db2.gz	LOEHBIXIRKEUDA-UHFFFAOYSA-N	-1	0	459.255	5.074	40	0		JKABRM
CC(C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329037093	570182617	/nfs/dbraw/zinc/18/26/17/570182617.db2.gz	RLZRCEIKIVWDHJ-UHFFFAOYSA-N	-1	0	473.282	5.462	40	0		JKABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c3ccccc32)o1	ZINC000408542689	570191844	/nfs/dbraw/zinc/19/18/44/570191844.db2.gz	NEEUSSJPKSFDFR-JJFYIABZSA-N	-1	0	492.940	5.871	40	0		JKABRM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2Cl)c1	ZINC000408544002	570192229	/nfs/dbraw/zinc/19/22/29/570192229.db2.gz	GOKJRORSELATRV-UHFFFAOYSA-N	-1	0	471.022	6.442	40	0		JKABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)o1	ZINC000408543992	570192307	/nfs/dbraw/zinc/19/23/07/570192307.db2.gz	RGTWZGJVZUVUFJ-JJFYIABZSA-N	-1	0	476.485	5.356	40	0		JKABRM
O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408545318	570192839	/nfs/dbraw/zinc/19/28/39/570192839.db2.gz	KHQVCSDEDJLYMG-UHFFFAOYSA-N	-1	0	495.453	5.457	40	0		JKABRM
O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000408545645	570192958	/nfs/dbraw/zinc/19/29/58/570192958.db2.gz	LXBOKURZHJUWNP-UHFFFAOYSA-N	-1	0	474.607	6.032	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)cc1C	ZINC000408546986	570193625	/nfs/dbraw/zinc/19/36/25/570193625.db2.gz	IBNSRADTJSEQNE-UHFFFAOYSA-N	-1	0	456.995	6.133	40	0		JKABRM
COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000408547707	570193902	/nfs/dbraw/zinc/19/39/02/570193902.db2.gz	LQGJCZWJFWMSFW-UHFFFAOYSA-N	-1	0	486.977	5.105	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c(C)c1	ZINC000408548775	570194313	/nfs/dbraw/zinc/19/43/13/570194313.db2.gz	UYOVFPDSDUFOAC-UHFFFAOYSA-N	-1	0	463.386	5.972	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)c1	ZINC000408549522	570194574	/nfs/dbraw/zinc/19/45/74/570194574.db2.gz	ZJHFFODHUKBYHJ-UHFFFAOYSA-N	-1	0	481.083	5.553	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccc(Cl)cc2)c1	ZINC000408562036	570201504	/nfs/dbraw/zinc/20/15/04/570201504.db2.gz	XDWYCHSZCYGMQH-UHFFFAOYSA-N	-1	0	474.966	5.191	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1ccccc1	ZINC000408562308	570201635	/nfs/dbraw/zinc/20/16/35/570201635.db2.gz	YVLSTZOUXMJJRJ-UHFFFAOYSA-N	-1	0	464.465	5.157	40	0		JKABRM
CC(=O)N(Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000408563921	570202367	/nfs/dbraw/zinc/20/23/67/570202367.db2.gz	BMIPHZALDMSKBU-UHFFFAOYSA-N	-1	0	494.975	5.007	40	0		JKABRM
O=C([O-])COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1	ZINC000409328577	570202990	/nfs/dbraw/zinc/20/29/90/570202990.db2.gz	XWPCACQGDTYGKG-NDEPHWFRSA-N	-1	0	464.521	5.516	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2Cl)c1C	ZINC000408579002	570206386	/nfs/dbraw/zinc/20/63/86/570206386.db2.gz	CHXCFYYVMBBCAK-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2Cl)c(C)c1	ZINC000408581069	570206695	/nfs/dbraw/zinc/20/66/95/570206695.db2.gz	UAVIUIUFMJDCNZ-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	ZINC000257808144	571861052	/nfs/dbraw/zinc/86/10/52/571861052.db2.gz	ZZTYPLSBNNGEIS-BQHPYWPHSA-N	-1	0	472.710	6.204	40	0	endogenous,in-man	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000038143792	574414356	/nfs/dbraw/zinc/41/43/56/574414356.db2.gz	OXVUXGFZHDKYLS-QUFHAEKXSA-N	-1	0	488.709	5.175	40	0	endogenous,in-man	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000031158174	290697221	/nfs/dbraw/zinc/69/72/21/290697221.db2.gz	RWNHLTKFBKYDOJ-QDPUOFNOSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@]1(C)O	ZINC000248342575	291547303	/nfs/dbraw/zinc/54/73/03/291547303.db2.gz	YLHQFGOOMKJFLP-FXOMJTQCSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000037538785	291594115	/nfs/dbraw/zinc/59/41/15/291594115.db2.gz	ZZTYPLSBNNGEIS-SRJBHCHUSA-N	-1	0	472.710	6.204	40	0	biogenic,in-vitro	JKABRM
Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000008636080	291600411	/nfs/dbraw/zinc/60/04/11/291600411.db2.gz	BYTWOFGOUFTVJW-DHIUTWEWSA-N	-1	0	463.622	5.566	40	0	biogenic,in-vitro	JKABRM
CC1(C)O[C@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-]	ZINC000003845886	194364327	/nfs/dbraw/zinc/36/43/27/194364327.db2.gz	ZEUOHNFKJGAXCN-PWHSHALESA-N	-1	0	467.400	5.603	40	0		JKABRM
CC/C(=C/C=C/[C@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@H](C)C(=O)[O-])CC[C@@H]1C	ZINC000004016153	194369941	/nfs/dbraw/zinc/36/99/41/194369941.db2.gz	HSZFOQSMGNAIJM-RSCVXHKTSA-N	-1	0	465.634	6.213	40	0		JKABRM
CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(Br)cc1OCC(=O)[O-]	ZINC000008444155	194449656	/nfs/dbraw/zinc/44/96/56/194449656.db2.gz	XPCNPNMAMZQASS-HSZRJFAPSA-N	-1	0	497.345	5.082	40	0		JKABRM
CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c(Br)cc1OCC(=O)[O-]	ZINC000008444156	194449670	/nfs/dbraw/zinc/44/96/70/194449670.db2.gz	XPCNPNMAMZQASS-QHCPKHFHSA-N	-1	0	497.345	5.082	40	0		JKABRM
Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)[N-]c4ccccc4Oc4ccccc4)ccc32)cc1	ZINC000020766232	195221807	/nfs/dbraw/zinc/22/18/07/195221807.db2.gz	CUFPCBVLQAJBTB-UHFFFAOYSA-N	-1	0	498.604	6.181	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1	ZINC000020766488	195221831	/nfs/dbraw/zinc/22/18/31/195221831.db2.gz	RYWSZNZQZXFTHB-UHFFFAOYSA-N	-1	0	470.978	5.133	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1	ZINC000020767228	195222795	/nfs/dbraw/zinc/22/27/95/195222795.db2.gz	YXXGQHHGBNMHIJ-UHFFFAOYSA-N	-1	0	470.978	5.133	40	0		JKABRM
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=O)[O-])CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C	ZINC000059337582	195397933	/nfs/dbraw/zinc/39/79/33/195397933.db2.gz	PHFUCJXOLZAQNH-FWWJTOFRSA-N	-1	0	498.748	7.660	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1Cl	ZINC000106688080	195457830	/nfs/dbraw/zinc/45/78/30/195457830.db2.gz	IZABTYTZYNDSNO-GRSHGNNSSA-N	-1	0	474.321	6.188	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	ZINC000106724855	195460631	/nfs/dbraw/zinc/46/06/31/195460631.db2.gz	XXJCGMMAZMAULU-JAIQZWGSSA-N	-1	0	498.354	5.952	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc(Cl)ccc2OC(C)C)C(=O)[O-])o1	ZINC000408634719	195481685	/nfs/dbraw/zinc/48/16/85/195481685.db2.gz	WVHIKNGHHRUZHC-GIJQJNRQSA-N	-1	0	481.357	6.057	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634808	195482072	/nfs/dbraw/zinc/48/20/72/195482072.db2.gz	UZCFXJKKRISTSE-BOPFTXTBSA-N	-1	0	496.957	6.228	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1	ZINC000095949907	129948261	/nfs/dbraw/zinc/94/82/61/129948261.db2.gz	RZAKJRHDNDQBMI-PZEVSAETSA-N	-1	0	478.721	7.310	40	0		JKABRM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)cc1	ZINC000103014496	130454048	/nfs/dbraw/zinc/45/40/48/130454048.db2.gz	QTEXSGJHQLZBJL-NAKRPHOHSA-N	-1	0	493.515	5.157	40	0		JKABRM
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)[n-]c2=O)cc1	ZINC000016777499	519009540	/nfs/dbraw/zinc/00/95/40/519009540.db2.gz	QIIXQVXGFUZWBH-UHFFFAOYSA-N	-1	0	463.390	5.579	40	0		JKABRM
CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)cc1	ZINC000032116786	519040216	/nfs/dbraw/zinc/04/02/16/519040216.db2.gz	TYFSXVWHDHUIPZ-UHFFFAOYSA-N	-1	0	495.373	6.278	40	0		JKABRM
CCCCC1CCC(C(=O)Nc2nnc(-c3ccccc3-c3cccc(C(=O)[O-])c3)s2)CC1	ZINC000027914172	519919330	/nfs/dbraw/zinc/91/93/30/519919330.db2.gz	IHWYONZNCCDRQO-UHFFFAOYSA-N	-1	0	463.603	6.505	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000039560120	520413887	/nfs/dbraw/zinc/41/38/87/520413887.db2.gz	RWNHLTKFBKYDOJ-FWKDNXEVSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]3CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@H]12	ZINC000036265367	520637534	/nfs/dbraw/zinc/63/75/34/520637534.db2.gz	JZFSMVXQUWRSIW-ZWWLJMGGSA-N	-1	0	456.711	7.234	40	0		JKABRM
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O	ZINC000038842195	520642479	/nfs/dbraw/zinc/64/24/79/520642479.db2.gz	JZFSMVXQUWRSIW-FWXFQHTDSA-N	-1	0	456.711	7.234	40	0	endogenous,in-man	JKABRM
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1	ZINC000020456342	521222614	/nfs/dbraw/zinc/22/26/14/521222614.db2.gz	BFNUXKXVLVKVTI-QGZVFWFLSA-N	-1	0	472.994	5.339	40	0		JKABRM
CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000020460710	521255476	/nfs/dbraw/zinc/25/54/76/521255476.db2.gz	IRJWFCQGKYUPQI-SFHVURJKSA-N	-1	0	487.021	5.647	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000020488447	521777626	/nfs/dbraw/zinc/77/76/26/521777626.db2.gz	QYPXXKXTWSEOEN-UHFFFAOYSA-N	-1	0	475.035	6.122	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC)cc1	ZINC000020457295	522533802	/nfs/dbraw/zinc/53/38/02/522533802.db2.gz	DITACWUKRNPIHL-NRFANRHFSA-N	-1	0	458.967	5.031	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1)c1ccccc1	ZINC000020459858	522785344	/nfs/dbraw/zinc/78/53/44/522785344.db2.gz	XZAHEOCPIPHCAQ-OAQYLSRUSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C)c1)c1ccc(C)cc1	ZINC000044880501	522785556	/nfs/dbraw/zinc/78/55/56/522785556.db2.gz	XHDXIPLJUWJGFR-OAQYLSRUSA-N	-1	0	456.995	5.639	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1)c1ccccc1	ZINC000044844213	522785836	/nfs/dbraw/zinc/78/58/36/522785836.db2.gz	HNEFPRHYXFUVDI-JOCHJYFZSA-N	-1	0	456.995	5.639	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2Cl)c1	ZINC000044842022	524689020	/nfs/dbraw/zinc/68/90/20/524689020.db2.gz	VHGRIDZELFYMPR-SFHVURJKSA-N	-1	0	456.995	5.557	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000076945330	524715393	/nfs/dbraw/zinc/71/53/93/524715393.db2.gz	JXSVIVRDWWRQRT-CSBNDPNVSA-N	-1	0	488.709	5.033	40	0	in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C	ZINC000004273370	524716110	/nfs/dbraw/zinc/71/61/10/524716110.db2.gz	WCGUUGGRBIKTOS-MJWBDTBQSA-N	-1	0	456.711	7.090	40	0		JKABRM
COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000044880915	525177387	/nfs/dbraw/zinc/17/73/87/525177387.db2.gz	SJMBEXVFJAIIHV-XMMPIXPASA-N	-1	0	452.576	5.013	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1Cl	ZINC000020459785	525270947	/nfs/dbraw/zinc/27/09/47/525270947.db2.gz	BUTDLNHTMJOMFC-HSZRJFAPSA-N	-1	0	471.022	5.966	40	0		JKABRM
COc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000020481978	525314773	/nfs/dbraw/zinc/31/47/73/525314773.db2.gz	ITVXTXZFUIBKKA-KRWDZBQOSA-N	-1	0	472.994	5.257	40	0		JKABRM
COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	ZINC000044900748	525348864	/nfs/dbraw/zinc/34/88/64/525348864.db2.gz	OUIJGQXZTPBOHT-QHCPKHFHSA-N	-1	0	487.021	5.667	40	0		JKABRM
COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000020451974	525350323	/nfs/dbraw/zinc/35/03/23/525350323.db2.gz	NRLDUSMTXNXQDM-VWLOTQADSA-N	-1	0	466.603	5.322	40	0		JKABRM
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000022533301	526324118	/nfs/dbraw/zinc/32/41/18/526324118.db2.gz	DZOARPFXNKTBAF-UHFFFAOYSA-N	-1	0	457.555	5.043	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1	ZINC000033635664	526368521	/nfs/dbraw/zinc/36/85/21/526368521.db2.gz	KOABTJVTKJNNTP-UUYOSTAYSA-N	-1	0	497.931	5.993	40	0		JKABRM
O=C(CSc1nnc(C=Cc2ccccc2)c(=O)[n-]1)Nc1ccc(Oc2ccccc2)cc1	ZINC000016806901	527082231	/nfs/dbraw/zinc/08/22/31/527082231.db2.gz	LNAPPXBVXBAEAA-LFIBNONCSA-N	-1	0	456.527	5.271	40	0		JKABRM
O=S(=O)([N-]c1cc(Cl)ccc1Oc1ccccc1)c1ccc(Oc2ccccc2)cc1	ZINC000044880529	527246140	/nfs/dbraw/zinc/24/61/40/527246140.db2.gz	AMPYBMLSVAMLKH-UHFFFAOYSA-N	-1	0	451.931	6.725	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(OCc2ccccc2Cl)cc1	ZINC000044901095	527255342	/nfs/dbraw/zinc/25/53/42/527255342.db2.gz	JPZFRXQTLSHJCU-UHFFFAOYSA-N	-1	0	493.972	5.367	40	0		JKABRM
O=C(NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1cccs1	ZINC000022710142	527460744	/nfs/dbraw/zinc/46/07/44/527460744.db2.gz	AOJFBJDPJDHBFC-UHFFFAOYSA-N	-1	0	474.361	5.151	40	0		JKABRM
CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)Nc3cccc(C(=O)[O-])c3)c2c1	ZINC000000922192	553855888	/nfs/dbraw/zinc/85/58/88/553855888.db2.gz	WAJODMSPKFZONU-UHFFFAOYSA-N	-1	0	457.555	5.597	40	0		JKABRM
Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)[O-])n3C3CCCCC3)cc12	ZINC000001352279	553955744	/nfs/dbraw/zinc/95/57/44/553955744.db2.gz	JXFNOIFERLORFT-UHFFFAOYSA-N	-1	0	453.593	5.336	40	0		JKABRM
CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)[O-])c(CCCCC)c1O2	ZINC000001687300	553982607	/nfs/dbraw/zinc/98/26/07/553982607.db2.gz	KVTYWHGIZSCFLG-UHFFFAOYSA-N	-1	0	470.518	5.546	40	0	biogenic	JKABRM
O=C([O-])[C@H](CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NC(=O)OCc1ccccc1	ZINC000001870698	553999917	/nfs/dbraw/zinc/99/99/17/553999917.db2.gz	AYEHDVABVCGAKM-NRFANRHFSA-N	-1	0	490.408	6.196	40	0		JKABRM
CCOc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)cc1	ZINC000002201712	554091287	/nfs/dbraw/zinc/09/12/87/554091287.db2.gz	ROOIBETVYZGEJE-VJGNERBWSA-N	-1	0	464.521	5.290	40	0		JKABRM
O=C([O-])C[C@H](Cc1ccccc1Br)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002506648	554230691	/nfs/dbraw/zinc/23/06/91/554230691.db2.gz	WLVUAXHMNMNOKU-KRWDZBQOSA-N	-1	0	480.358	5.374	40	0		JKABRM
O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1	ZINC000002585893	554238287	/nfs/dbraw/zinc/23/82/87/554238287.db2.gz	CUOIPSCYWJDJNE-QFIPXVFZSA-N	-1	0	455.432	5.760	40	0		JKABRM
O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(O)c1)c1cc(Cl)ccc1Cl	ZINC000003220638	554432494	/nfs/dbraw/zinc/43/24/94/554432494.db2.gz	ZONZQPZTXCKQEV-UHFFFAOYSA-N	-1	0	461.330	5.187	40	0		JKABRM
COc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(OCC(=O)[O-])c1	ZINC000003626610	554467131	/nfs/dbraw/zinc/46/71/31/554467131.db2.gz	FMMVRJFIUGGRRO-LSYYVWMOSA-N	-1	0	466.574	5.847	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]2CC(=O)[O-])C(=O)C1	ZINC000005104275	554486616	/nfs/dbraw/zinc/48/66/16/554486616.db2.gz	GFTWFYLFSOGAEP-KZXYFOJMSA-N	-1	0	476.698	6.673	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000008740153	554642047	/nfs/dbraw/zinc/64/20/47/554642047.db2.gz	JKLISIRFYWXLQG-KHVXJZGASA-N	-1	0	458.727	7.314	40	0	biogenic	JKABRM
CC(C)(C)c1cc(Br)cc(Sc2cc(Br)cc(C(C)(C)C)c2O)c1[O-]	ZINC000008781100	554677960	/nfs/dbraw/zinc/67/79/60/554677960.db2.gz	XOTJWDJUWRFTNO-UHFFFAOYSA-N	-1	0	488.285	7.369	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1F)c1ccc(F)cc1	ZINC000008810924	554691679	/nfs/dbraw/zinc/69/16/79/554691679.db2.gz	JKVKGZUREQOYNF-UHFFFAOYSA-N	-1	0	490.837	5.690	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1F)c1ccc(F)cc1	ZINC000008810923	554691733	/nfs/dbraw/zinc/69/17/33/554691733.db2.gz	CKHVLSZKCSDPPW-UHFFFAOYSA-N	-1	0	480.492	5.810	40	0		JKABRM
Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1C(=O)[O-]	ZINC000008833101	554729831	/nfs/dbraw/zinc/72/98/31/554729831.db2.gz	OYEFCADSAVKHBE-JXMROGBWSA-N	-1	0	475.353	5.786	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl	ZINC000008833102	554729861	/nfs/dbraw/zinc/72/98/61/554729861.db2.gz	ARHRJRFMJXVWFZ-XBXARRHUSA-N	-1	0	495.771	6.131	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)ccc1Cl	ZINC000008833314	554730800	/nfs/dbraw/zinc/73/08/00/554730800.db2.gz	UPHSNPRUTLXCJF-ZZXKWVIFSA-N	-1	0	495.771	6.131	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000008892781	554781244	/nfs/dbraw/zinc/78/12/44/554781244.db2.gz	UDAZDJCCRMCZIH-UHFFFAOYSA-N	-1	0	476.168	6.393	40	0		JKABRM
Cc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1	ZINC000008896270	554785833	/nfs/dbraw/zinc/78/58/33/554785833.db2.gz	JZPPBBWAUCUGTL-UHFFFAOYSA-N	-1	0	498.033	5.359	40	0		JKABRM
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]13	ZINC000009033633	554867855	/nfs/dbraw/zinc/86/78/55/554867855.db2.gz	XFIWQQAILDPLJC-LKVDQOIUSA-N	-1	0	475.629	5.702	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	ZINC000009064737	554883315	/nfs/dbraw/zinc/88/33/15/554883315.db2.gz	OLZRSSDRQHGKKG-PKNBQFBNSA-N	-1	0	461.326	5.478	40	0		JKABRM
O=C1N(c2ccc(F)cc2)C([O-])=C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]12c1ccccc1	ZINC000009427355	555192361	/nfs/dbraw/zinc/19/23/61/555192361.db2.gz	WYEYBWIORLZCAK-WWPJHQMMSA-N	-1	0	464.496	5.199	40	0		JKABRM
COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2C(=O)[O-])[C@H]3c2ccc(OC)cc2)cc1	ZINC000013145791	555343530	/nfs/dbraw/zinc/34/35/30/555343530.db2.gz	SRLCPUQDDJJIHT-AROLYGGHSA-N	-1	0	496.563	5.839	40	0		JKABRM
CCc1nn2cc(C(=O)c3cc(Br)ccc3[O-])cnc2c1-c1ccc(Cl)cc1	ZINC000013563999	555498966	/nfs/dbraw/zinc/49/89/66/555498966.db2.gz	OJWGINKQACWFOD-UHFFFAOYSA-N	-1	0	456.727	5.311	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)cc1C	ZINC000013612324	555534765	/nfs/dbraw/zinc/53/47/65/555534765.db2.gz	MENYUJDGDPIHRX-UHFFFAOYSA-N	-1	0	454.979	5.351	40	0		JKABRM
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c(Cl)c1	ZINC000019932719	555550015	/nfs/dbraw/zinc/55/00/15/555550015.db2.gz	NBOIGYBTSHKCBG-UHFFFAOYSA-N	-1	0	493.368	5.223	40	0		JKABRM
CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1	ZINC000019933148	555550627	/nfs/dbraw/zinc/55/06/27/555550627.db2.gz	UVSKQCLQGUFWJC-UHFFFAOYSA-N	-1	0	461.008	5.814	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2Cl)c1C	ZINC000013669790	555559936	/nfs/dbraw/zinc/55/99/36/555559936.db2.gz	YPQOFCGRKWHTCF-IBGZPJMESA-N	-1	0	499.076	6.546	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000009972484	555571897	/nfs/dbraw/zinc/57/18/97/555571897.db2.gz	HFTCBYWJGHRUJH-LLUUXILJSA-N	-1	0	497.762	5.499	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	ZINC000009972807	555572879	/nfs/dbraw/zinc/57/28/79/555572879.db2.gz	UZFDMQNJILGOKH-KAQJVSAMSA-N	-1	0	497.762	5.499	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000009973154	555573462	/nfs/dbraw/zinc/57/34/62/555573462.db2.gz	GSPSXRKQXAXBHR-GFQQVXNGSA-N	-1	0	479.385	5.011	40	0		JKABRM
Cc1ccc(SCc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2)cc1	ZINC000020042249	555614276	/nfs/dbraw/zinc/61/42/76/555614276.db2.gz	XZOKGCSUVWQOTO-UHFFFAOYSA-N	-1	0	490.610	5.130	40	0		JKABRM
CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000020043713	555615338	/nfs/dbraw/zinc/61/53/38/555615338.db2.gz	GVCNFUNMHYECJK-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)c1	ZINC000020045514	555616238	/nfs/dbraw/zinc/61/62/38/555616238.db2.gz	QSNJACMYMZVJBC-DEOSSOPVSA-N	-1	0	485.049	6.275	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1	ZINC000020048543	555618524	/nfs/dbraw/zinc/61/85/24/555618524.db2.gz	ZWPWWXJBMLTABN-PTGBLXJZSA-N	-1	0	489.984	5.715	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1ccc(OC)cc1	ZINC000020049061	555618830	/nfs/dbraw/zinc/61/88/30/555618830.db2.gz	UNJIAVFDTJDREA-QFIPXVFZSA-N	-1	0	472.994	5.339	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2Cl)c(C)c1	ZINC000010110299	555619922	/nfs/dbraw/zinc/61/99/22/555619922.db2.gz	TXRYGVXPXBRKJY-UHFFFAOYSA-N	-1	0	456.995	5.120	40	0		JKABRM
Cc1ccc([C@@H](NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc2)cc1	ZINC000020050917	555620010	/nfs/dbraw/zinc/62/00/10/555620010.db2.gz	YIMGTTAWCUDOQT-SANMLTNESA-N	-1	0	456.567	5.315	40	0		JKABRM
Cc1cccc(CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000010110760	555620855	/nfs/dbraw/zinc/62/08/55/555620855.db2.gz	HXAIRXBWTXZSOW-UHFFFAOYSA-N	-1	0	471.022	5.429	40	0		JKABRM
CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000020105015	555638059	/nfs/dbraw/zinc/63/80/59/555638059.db2.gz	RLCRPPWVBXJQRS-OAQYLSRUSA-N	-1	0	488.993	5.254	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2Cl)cc1	ZINC000020107050	555640560	/nfs/dbraw/zinc/64/05/60/555640560.db2.gz	KIHMDCJPZMEVLE-JOCHJYFZSA-N	-1	0	454.979	5.257	40	0		JKABRM
O=C([O-])c1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(Cl)cc1Cl	ZINC000020143616	555664085	/nfs/dbraw/zinc/66/40/85/555664085.db2.gz	BLRBKEBEYUZPEZ-UHFFFAOYSA-N	-1	0	454.265	5.717	40	0		JKABRM
O=C([O-])c1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)cc1Cl	ZINC000020150875	555667406	/nfs/dbraw/zinc/66/74/06/555667406.db2.gz	YHEBPQJVEUZDCY-ZZXKWVIFSA-N	-1	0	471.123	6.910	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1	ZINC000010369912	555699047	/nfs/dbraw/zinc/69/90/47/555699047.db2.gz	NRTNUBFBEMIFJV-UHFFFAOYSA-N	-1	0	466.603	5.499	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccc(Cl)cc1Cl	ZINC000014153005	555708817	/nfs/dbraw/zinc/70/88/17/555708817.db2.gz	ARWKYFLKPFBJBX-UHFFFAOYSA-N	-1	0	482.161	5.626	40	0		JKABRM
Cc1ccc(SCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000014153883	555710378	/nfs/dbraw/zinc/71/03/78/555710378.db2.gz	LDOKZSWVPQLTRP-UHFFFAOYSA-N	-1	0	489.062	5.588	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSCc3ccco3)ccc2Cl)c1C	ZINC000014154297	555711269	/nfs/dbraw/zinc/71/12/69/555711269.db2.gz	MKRFFTMXFUVXJJ-UHFFFAOYSA-N	-1	0	479.023	5.014	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1Cl	ZINC000014154344	555711561	/nfs/dbraw/zinc/71/15/61/555711561.db2.gz	YHXBLWNVOWWXJT-UHFFFAOYSA-N	-1	0	483.804	5.686	40	0		JKABRM
O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000014155498	555713691	/nfs/dbraw/zinc/71/36/91/555713691.db2.gz	BKSVRXIRRDCQFZ-UHFFFAOYSA-N	-1	0	462.958	6.060	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2Cl)c1C	ZINC000014155446	555713796	/nfs/dbraw/zinc/71/37/96/555713796.db2.gz	RCDXCMXGACMRSJ-UHFFFAOYSA-N	-1	0	481.083	5.553	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1Cl	ZINC000014269983	555760878	/nfs/dbraw/zinc/76/08/78/555760878.db2.gz	PXCRPWNUIALMLB-UHFFFAOYSA-N	-1	0	469.733	5.732	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000014269981	555760896	/nfs/dbraw/zinc/76/08/96/555760896.db2.gz	ATLWNQUSYYMRSY-UHFFFAOYSA-N	-1	0	465.314	5.087	40	0		JKABRM
O=C([O-])c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl	ZINC000014274525	555777085	/nfs/dbraw/zinc/77/70/85/555777085.db2.gz	LBJDYSGISWTPJA-RMKNXTFCSA-N	-1	0	495.771	6.131	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000014275216	555780107	/nfs/dbraw/zinc/78/01/07/555780107.db2.gz	SGOCVPMHBKPYBA-UHFFFAOYSA-N	-1	0	476.168	6.393	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000014275212	555780127	/nfs/dbraw/zinc/78/01/27/555780127.db2.gz	GIRUVWARFFIPLE-UHFFFAOYSA-N	-1	0	476.168	6.393	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(-c2ccc(Br)cc2)o1	ZINC000014275210	555780131	/nfs/dbraw/zinc/78/01/31/555780131.db2.gz	IRLZMMDWUFWTMN-UHFFFAOYSA-N	-1	0	486.174	5.848	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000014399887	555805252	/nfs/dbraw/zinc/80/52/52/555805252.db2.gz	OVGAHJROLIXPRR-LJQANCHMSA-N	-1	0	496.629	5.508	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCC(C)CC1	ZINC000014400826	555806285	/nfs/dbraw/zinc/80/62/85/555806285.db2.gz	HNLPLNKMVUUOTD-UHFFFAOYSA-N	-1	0	480.586	5.160	40	0		JKABRM
CC1(C)Nc2ccccc2-c2c(=S)n(-c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)sc21	ZINC000015087238	555875532	/nfs/dbraw/zinc/87/55/32/555875532.db2.gz	VLZIDSUZYJPCGY-UHFFFAOYSA-N	-1	0	486.669	5.853	40	0		JKABRM
CC(C)(C)c1cc([C@H](c2cccs2)c2c([O-])c3ccccc3oc2=O)cc(C(C)(C)C)c1O	ZINC000012042787	555895178	/nfs/dbraw/zinc/89/51/78/555895178.db2.gz	NICPQASWEBEHTE-JOCHJYFZSA-N	-1	0	462.611	7.041	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)cc1C	ZINC000022530249	555931553	/nfs/dbraw/zinc/93/15/53/555931553.db2.gz	JEHHIPIYCOCODS-UHFFFAOYSA-N	-1	0	498.004	5.137	40	0		JKABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)cc2)c1	ZINC000022532821	555932406	/nfs/dbraw/zinc/93/24/06/555932406.db2.gz	NXRGCACAHHBCTC-GOSISDBHSA-N	-1	0	498.601	5.034	40	0		JKABRM
C[C@H]1C[C@H](C)CN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)C1	ZINC000022852039	555958844	/nfs/dbraw/zinc/95/88/44/555958844.db2.gz	SSPJSNKQBGSNTM-DEYYWGMASA-N	-1	0	487.423	5.586	40	0		JKABRM
CC1(C)[C@@H]2CC[C@]3(C)C(=CC=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O	ZINC000012871005	556120870	/nfs/dbraw/zinc/12/08/70/556120870.db2.gz	DPWVNICGMWYCAP-KVIBWAOPSA-N	-1	0	454.695	7.154	40	0	biogenic	JKABRM
C[C@@H]1[C@@H](C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000012869011	556120953	/nfs/dbraw/zinc/12/09/53/556120953.db2.gz	WCGUUGGRBIKTOS-RFSAOICVSA-N	-1	0	456.711	7.090	40	0	biogenic	JKABRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)N(c3ccccc3)c3ccccc3)cc2)c1C	ZINC000016265780	556131433	/nfs/dbraw/zinc/13/14/33/556131433.db2.gz	VGGNDSKTBJSPKG-UHFFFAOYSA-N	-1	0	462.531	5.462	40	0		JKABRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cc(Br)ccc1Cl	ZINC000016384349	556136631	/nfs/dbraw/zinc/13/66/31/556136631.db2.gz	ABICLELPWRPJEO-UHFFFAOYSA-N	-1	0	482.570	5.234	40	0		JKABRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1	ZINC000016399067	556137188	/nfs/dbraw/zinc/13/71/88/556137188.db2.gz	RJVFUGQUINAOCA-UHFFFAOYSA-N	-1	0	479.739	5.188	40	0		JKABRM
CC1(C)[C@@H](C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)CC[C@@]1(C)C(=O)[O-]	ZINC000016740836	556156556	/nfs/dbraw/zinc/15/65/56/556156556.db2.gz	LZOKPFMTLUKPQV-DWXRJYCRSA-N	-1	0	462.571	5.507	40	0		JKABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCC(C)CC1	ZINC000026119246	556248192	/nfs/dbraw/zinc/24/81/92/556248192.db2.gz	YIPMVISBEWVRRP-UHFFFAOYSA-N	-1	0	496.654	5.874	40	0		JKABRM
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]23C)C1(C)C	ZINC000017434116	556261151	/nfs/dbraw/zinc/26/11/51/556261151.db2.gz	PHFUCJXOLZAQNH-OTMOLZNZSA-N	-1	0	498.748	7.660	40	0	biogenic,in-vitro	JKABRM
Cc1cc(NC(=O)c2ccc(Br)cc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000026786953	556263255	/nfs/dbraw/zinc/26/32/55/556263255.db2.gz	NIAXAZZYOAIIGI-UHFFFAOYSA-N	-1	0	488.403	5.672	40	0		JKABRM
Cc1cc(NC(=O)c2ccc(Cl)cc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1[O-]	ZINC000026786965	556263400	/nfs/dbraw/zinc/26/34/00/556263400.db2.gz	DIGMGJWUWNIPFO-UHFFFAOYSA-N	-1	0	478.397	6.216	40	0		JKABRM
CC[C@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)[O-]	ZINC000028900764	556343650	/nfs/dbraw/zinc/34/36/50/556343650.db2.gz	ZHKNLJLMDFQVHJ-VWLOTQADSA-N	-1	0	490.556	5.554	40	0		JKABRM
CC(C)(C)c1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)cc1	ZINC000030752142	556371510	/nfs/dbraw/zinc/37/15/10/556371510.db2.gz	UNQBQRKIBWYCLS-UHFFFAOYSA-N	-1	0	477.413	6.344	40	0		JKABRM
O=C(NCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000030857986	556380514	/nfs/dbraw/zinc/38/05/14/556380514.db2.gz	HNIDNTXUFLHBRV-UHFFFAOYSA-N	-1	0	458.539	5.210	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2Cl)c1C	ZINC000030859727	556381254	/nfs/dbraw/zinc/38/12/54/556381254.db2.gz	UAPFGSATZUCPFV-UHFFFAOYSA-N	-1	0	498.004	5.137	40	0		JKABRM
COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116386	556423224	/nfs/dbraw/zinc/42/32/24/556423224.db2.gz	UULFBDKKPDDRBK-UHFFFAOYSA-N	-1	0	498.358	5.098	40	0		JKABRM
Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)ccc1Cl	ZINC000032116381	556423291	/nfs/dbraw/zinc/42/32/91/556423291.db2.gz	SVWSCSHEKBCKMS-UHFFFAOYSA-N	-1	0	487.737	5.942	40	0		JKABRM
CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116473	556423593	/nfs/dbraw/zinc/42/35/93/556423593.db2.gz	RHHGDVDJNWGGBB-UHFFFAOYSA-N	-1	0	453.292	5.614	40	0		JKABRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccc2ccccc2c1	ZINC000032116462	556423659	/nfs/dbraw/zinc/42/36/59/556423659.db2.gz	LHKAVQYLKCQJJA-UHFFFAOYSA-N	-1	0	480.181	5.197	40	0		JKABRM
CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116533	556423869	/nfs/dbraw/zinc/42/38/69/556423869.db2.gz	QMFHKAZFONDDMZ-UHFFFAOYSA-N	-1	0	467.319	6.002	40	0		JKABRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cccc(Cl)c1Cl	ZINC000032116655	556424518	/nfs/dbraw/zinc/42/45/18/556424518.db2.gz	ABRIVAMDWAUMSC-UHFFFAOYSA-N	-1	0	499.011	5.351	40	0		JKABRM
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116705	556424840	/nfs/dbraw/zinc/42/48/40/556424840.db2.gz	YFTXAHSGYIJUTA-UHFFFAOYSA-N	-1	0	495.373	6.412	40	0		JKABRM
CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c1	ZINC000032116692	556424901	/nfs/dbraw/zinc/42/49/01/556424901.db2.gz	QKPXPRBUZLWNBT-UHFFFAOYSA-N	-1	0	467.319	6.004	40	0		JKABRM
O=C(COc1ccc2ccccc2c1)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116750	556425033	/nfs/dbraw/zinc/42/50/33/556425033.db2.gz	ZCDFNPAZCAZISV-UHFFFAOYSA-N	-1	0	489.325	6.134	40	0		JKABRM
Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc([O-])c(Br)c4)nc3c2)c(C)c1	ZINC000032116761	556425055	/nfs/dbraw/zinc/42/50/55/556425055.db2.gz	XAFYMWOUIVCFJX-UHFFFAOYSA-N	-1	0	467.319	5.597	40	0		JKABRM
O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1	ZINC000032116793	556425156	/nfs/dbraw/zinc/42/51/56/556425156.db2.gz	WXDZLSWGFBESEI-UHFFFAOYSA-N	-1	0	473.710	5.634	40	0		JKABRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(Br)ccc1Cl	ZINC000032119003	556426047	/nfs/dbraw/zinc/42/60/47/556426047.db2.gz	SLJIDJQCSXDQIC-UHFFFAOYSA-N	-1	0	454.560	5.242	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@@H]2[C@@]1(C)O	ZINC000248342577	560036708	/nfs/dbraw/zinc/03/67/08/560036708.db2.gz	YLHQFGOOMKJFLP-LKVTVEBLSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
CC1(C)[C@@H]2CC[C@@]3(C)[C@H](CC=C4[C@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@]2(C)CC[C@@H]1O	ZINC000245377358	560037016	/nfs/dbraw/zinc/03/70/16/560037016.db2.gz	JZFSMVXQUWRSIW-BYYVOJIASA-N	-1	0	456.711	7.234	40	0	biogenic,in-vitro	JKABRM
CC1=C[C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1	ZINC000072320930	560077165	/nfs/dbraw/zinc/07/71/65/560077165.db2.gz	APFVYYDBOQNHOE-BJLQDIEVSA-N	-1	0	457.590	5.106	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C	ZINC000071297050	560078216	/nfs/dbraw/zinc/07/82/16/560078216.db2.gz	JXSVIVRDWWRQRT-SVOQGVCWSA-N	-1	0	488.709	5.033	40	0	biogenic,in-vitro	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O	ZINC000038143791	560086444	/nfs/dbraw/zinc/08/64/44/560086444.db2.gz	OXVUXGFZHDKYLS-CWKCJBEYSA-N	-1	0	488.709	5.175	40	0	biogenic,in-vitro	JKABRM
Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1	ZINC000008624104	560210048	/nfs/dbraw/zinc/21/00/48/560210048.db2.gz	OAGDPNGQFQRHGX-FYYLOGMGSA-N	-1	0	477.649	5.740	40	0	biogenic,in-vitro	JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000035570683	563120314	/nfs/dbraw/zinc/12/03/14/563120314.db2.gz	RWNHLTKFBKYDOJ-JEERONPWSA-N	-1	0	488.709	5.177	40	0	biogenic,in-vitro	JKABRM
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000053297583	563205709	/nfs/dbraw/zinc/20/57/09/563205709.db2.gz	OWVKXHUSEJQEMZ-QRVIBDJDSA-N	-1	0	493.512	5.348	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000033375607	569625257	/nfs/dbraw/zinc/62/52/57/569625257.db2.gz	FNZXADFAZCPSRD-VCHYOVAHSA-N	-1	0	499.292	5.263	40	0		JKABRM
CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1	ZINC000033386505	569625497	/nfs/dbraw/zinc/62/54/97/569625497.db2.gz	LIIPFBOTVATDLN-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000033408856	569625995	/nfs/dbraw/zinc/62/59/95/569625995.db2.gz	AGHVEEYLVPAEQZ-LFVJCYFKSA-N	-1	0	472.614	5.394	40	0		JKABRM
Cc1ccc(COc2ccc(Br)cc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000033416076	569626091	/nfs/dbraw/zinc/62/60/91/569626091.db2.gz	FRZIGMHEWZZMRH-UDWIEESQSA-N	-1	0	495.329	5.432	40	0		JKABRM
O=C(Oc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(Cl)cc1	ZINC000033492750	569626974	/nfs/dbraw/zinc/62/69/74/569626974.db2.gz	DOIYCYUROYALPP-UYRXBGFRSA-N	-1	0	481.291	5.719	40	0		JKABRM
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000033593635	569628404	/nfs/dbraw/zinc/62/84/04/569628404.db2.gz	NBURQNSKHLZGJM-UHFFFAOYSA-N	-1	0	486.977	5.187	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3cccc(C)c3)C(=O)[N-]C2=S)cc1	ZINC000033611733	569628763	/nfs/dbraw/zinc/62/87/63/569628763.db2.gz	GNUUUJJEZQKJFH-XQNSMLJCSA-N	-1	0	456.567	5.808	40	0		JKABRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)Nc1ccccc1F	ZINC000033659762	569630024	/nfs/dbraw/zinc/63/00/24/569630024.db2.gz	SYMGRFDAXIXGKT-XDHOZWIPSA-N	-1	0	493.878	5.003	40	0		JKABRM
CCc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)[N-]C2=S)cc1	ZINC000033687643	569630763	/nfs/dbraw/zinc/63/07/63/569630763.db2.gz	PWGHHDCVINVYKJ-LDADJPATSA-N	-1	0	481.917	5.742	40	0		JKABRM
Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)c2)cc1C	ZINC000033694887	569630926	/nfs/dbraw/zinc/63/09/26/569630926.db2.gz	UGBKSVJLYISUEE-HZHRSRAPSA-N	-1	0	499.592	5.301	40	0		JKABRM
CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	ZINC000033783110	569634751	/nfs/dbraw/zinc/63/47/51/569634751.db2.gz	FCEKYZFPYLPERC-YVLHZVERSA-N	-1	0	487.350	5.370	40	0		JKABRM
CC/C(=C\C=C\[C@@H]1C=C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@H]1O[C@@H]([C@@H](C)C(=O)[O-])CC[C@H]1C	ZINC000033836779	569636121	/nfs/dbraw/zinc/63/61/21/569636121.db2.gz	HSZFOQSMGNAIJM-WRBMMLJTSA-N	-1	0	465.634	6.213	40	0		JKABRM
COC(=O)c1cccc(Cn2cc(C=C3C(=O)[N-]C(=S)N(c4ccccc4)C3=O)c3ccccc32)c1	ZINC000033850451	569636152	/nfs/dbraw/zinc/63/61/52/569636152.db2.gz	CZFTXQAGKHCNKL-HZHRSRAPSA-N	-1	0	495.560	5.148	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1F	ZINC000033850579	569636288	/nfs/dbraw/zinc/63/62/88/569636288.db2.gz	SPYAKUAYRMOOFZ-VCHYOVAHSA-N	-1	0	498.894	5.552	40	0		JKABRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1Sc1ccccc1	ZINC000033912718	569637494	/nfs/dbraw/zinc/63/74/94/569637494.db2.gz	NSVHGCPFPRESIW-UHFFFAOYSA-N	-1	0	450.379	5.410	40	0		JKABRM
CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000034745166	569655574	/nfs/dbraw/zinc/65/55/74/569655574.db2.gz	XATOVRSFCTYALF-UHFFFAOYSA-N	-1	0	458.967	5.409	40	0		JKABRM
CC[C@@H](C)Oc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	ZINC000034763855	569658065	/nfs/dbraw/zinc/65/80/65/569658065.db2.gz	NODPQVGIEWDIED-LLUUXILJSA-N	-1	0	497.762	6.339	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)c1	ZINC000035074045	569674261	/nfs/dbraw/zinc/67/42/61/569674261.db2.gz	VDGWKQPBRVHEPR-UHFFFAOYSA-N	-1	0	450.947	5.855	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)ccc2Cl)cc1C	ZINC000035104367	569674873	/nfs/dbraw/zinc/67/48/73/569674873.db2.gz	KDLHTTPCYRCUTO-UHFFFAOYSA-N	-1	0	493.810	5.772	40	0		JKABRM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1cccc(F)c1	ZINC000035108979	569675129	/nfs/dbraw/zinc/67/51/29/569675129.db2.gz	HSHVDTATSAHRBD-VXLYETTFSA-N	-1	0	498.894	5.552	40	0		JKABRM
CCOc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1	ZINC000035147354	569675984	/nfs/dbraw/zinc/67/59/84/569675984.db2.gz	IIBJFJMWXVGUMN-RUZDIDTESA-N	-1	0	453.498	5.232	40	0		JKABRM
O=C(COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(F)cc1	ZINC000035202686	569678266	/nfs/dbraw/zinc/67/82/66/569678266.db2.gz	QLELETNKXXHGOX-UNOMPAQXSA-N	-1	0	493.878	5.003	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1	ZINC000035352420	569681797	/nfs/dbraw/zinc/68/17/97/569681797.db2.gz	OZPFGCZLAHICGQ-YBFXNURJSA-N	-1	0	499.292	5.263	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1ccc(Cl)c(Cl)c1	ZINC000035362825	569682534	/nfs/dbraw/zinc/68/25/34/569682534.db2.gz	QSLSNAVGAQNJRH-GZTJUZNOSA-N	-1	0	471.296	5.668	40	0		JKABRM
COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c1	ZINC000035376244	569684906	/nfs/dbraw/zinc/68/49/06/569684906.db2.gz	VVKUEBXFCKUJGC-UHFFFAOYSA-N	-1	0	474.966	5.027	40	0		JKABRM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Br)c(Cl)c2)o1	ZINC000035394358	569687233	/nfs/dbraw/zinc/68/72/33/569687233.db2.gz	QEDFKTHOOAYUMU-NTEUORMPSA-N	-1	0	475.682	5.458	40	0		JKABRM
C[C@H]1CC[C@@]2(C(=O)[O-])CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C	ZINC000071789668	569698462	/nfs/dbraw/zinc/69/84/62/569698462.db2.gz	WCGUUGGRBIKTOS-MVOYJBABSA-N	-1	0	456.711	7.090	40	0	in-vitro	JKABRM
O=C([O-])C[C@@H](CNc1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl	ZINC000082087178	569708113	/nfs/dbraw/zinc/70/81/13/569708113.db2.gz	FQOQLKLFEDCNPO-INIZCTEOSA-N	-1	0	454.357	6.062	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(Cl)cc1Cl	ZINC000085342819	569709784	/nfs/dbraw/zinc/70/97/84/569709784.db2.gz	AKTWLZUKTYNYRH-UHFFFAOYSA-N	-1	0	498.185	5.734	40	0		JKABRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(Cl)cc1Cl	ZINC000085342921	569709867	/nfs/dbraw/zinc/70/98/67/569709867.db2.gz	INFNQGKQZBGHTR-UHFFFAOYSA-N	-1	0	475.353	5.397	40	0		JKABRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)(C)C)cc1	ZINC000035898019	569723384	/nfs/dbraw/zinc/72/33/84/569723384.db2.gz	HCPJAXQSNCEVHB-SEONNTABSA-N	-1	0	481.614	5.659	40	0		JKABRM
COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@]32c2ccccc2)cc1	ZINC000036006978	569747679	/nfs/dbraw/zinc/74/76/79/569747679.db2.gz	UXUOYKZOFGFALT-ZKKGZRQESA-N	-1	0	494.522	5.207	40	0		JKABRM
O=C(C(=C([O-])c1cccs1)[C@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1)C(F)(F)F	ZINC000100538426	569764085	/nfs/dbraw/zinc/76/40/85/569764085.db2.gz	DSGZHIFRJJOMHW-FCHUYYIVSA-N	-1	0	471.475	6.824	40	0		JKABRM
O=C(N/C=C/c1cc(Cl)cc(Cl)c1)[C@@H](c1csc2ccc(Cl)cc21)[P@](=O)([O-])O	ZINC000036377892	569773722	/nfs/dbraw/zinc/77/37/22/569773722.db2.gz	AAWWTPVQFZNTEM-REMYHPOOSA-N	-1	0	476.705	5.867	40	0		JKABRM
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1	ZINC000101076775	569781691	/nfs/dbraw/zinc/78/16/91/569781691.db2.gz	BLEWUOTVXDZSIJ-VXNXHJTFSA-N	-1	0	462.933	5.180	40	0		JKABRM
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1	ZINC000101076769	569781709	/nfs/dbraw/zinc/78/17/09/569781709.db2.gz	BLEWUOTVXDZSIJ-HJOGWXRNSA-N	-1	0	462.933	5.180	40	0		JKABRM
CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(Cl)cc3)C2=O)cc1	ZINC000101078136	569781714	/nfs/dbraw/zinc/78/17/14/569781714.db2.gz	AHVAHEGIIFNXEB-SDHSZQHLSA-N	-1	0	476.960	5.570	40	0		JKABRM
Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccccc2Cl)C1=O	ZINC000101076637	569781725	/nfs/dbraw/zinc/78/17/25/569781725.db2.gz	CRYCDDDPTISSKT-VSKRKVRLSA-N	-1	0	453.325	5.353	40	0		JKABRM
CCCCOc1ccc([C@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)cc1OC	ZINC000101142326	569784453	/nfs/dbraw/zinc/78/44/53/569784453.db2.gz	TWAUFHMPHXIOKH-PVHODMMVSA-N	-1	0	486.568	5.234	40	0		JKABRM
CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1	ZINC000038754052	569806659	/nfs/dbraw/zinc/80/66/59/569806659.db2.gz	METSSRHSJNCTJJ-UHFFFAOYSA-N	-1	0	472.994	5.086	40	0		JKABRM
CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000039866592	569812207	/nfs/dbraw/zinc/81/22/07/569812207.db2.gz	BGAQPAFWNVLCBG-RVFNTIOESA-N	-1	0	483.343	5.641	40	0		JKABRM
O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1	ZINC000102707260	569816585	/nfs/dbraw/zinc/81/65/85/569816585.db2.gz	MHLNKFGUIRISRN-DSITVLBTSA-N	-1	0	472.903	5.683	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(CCc2ccccc2)n1	ZINC000103298839	569834393	/nfs/dbraw/zinc/83/43/93/569834393.db2.gz	CCQXCZSCDUZFKO-UHFFFAOYSA-N	-1	0	498.623	6.665	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CC(=O)[O-])ccc2OC)nn1CCc1ccccc1	ZINC000103298770	569834472	/nfs/dbraw/zinc/83/44/72/569834472.db2.gz	XMGGRARCWKYYDT-UHFFFAOYSA-N	-1	0	456.542	5.494	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CCC(=O)[O-])ccc2OCC)nn1CCc1ccccc1	ZINC000103298865	569834479	/nfs/dbraw/zinc/83/44/79/569834479.db2.gz	AMMQKTYXWBPKMI-UHFFFAOYSA-N	-1	0	484.596	6.274	40	0		JKABRM
COc1ccc(CC(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1	ZINC000103298797	569834485	/nfs/dbraw/zinc/83/44/85/569834485.db2.gz	MBFIJWICEXUVKY-UHFFFAOYSA-N	-1	0	472.541	5.113	40	0		JKABRM
CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1	ZINC000103298813	569834503	/nfs/dbraw/zinc/83/45/03/569834503.db2.gz	ZPOKSNPNIATQEM-UHFFFAOYSA-N	-1	0	472.541	5.574	40	0		JKABRM
COc1ccc(C(=O)[O-])cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1	ZINC000103298886	569834523	/nfs/dbraw/zinc/83/45/23/569834523.db2.gz	PJSGHMRMTCQUDH-UHFFFAOYSA-N	-1	0	458.514	5.184	40	0		JKABRM
CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O	ZINC000103468272	569835372	/nfs/dbraw/zinc/83/53/72/569835372.db2.gz	UGEYFXNCYJMMDU-NJYVYQBISA-N	-1	0	485.621	5.307	40	0		JKABRM
CCOC(=O)C1=C(C)NC(SCc2ccc(C(=O)[O-])cc2)=N[C@@H]1c1c(OC)ccc2ccccc21	ZINC000103828977	569838336	/nfs/dbraw/zinc/83/83/36/569838336.db2.gz	IKDONLQYMGIXEN-DEOSSOPVSA-N	-1	0	490.581	5.317	40	0		JKABRM
Cn1c(=O)c(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)c([O-])c2ccccc21	ZINC000104827674	569846552	/nfs/dbraw/zinc/84/65/52/569846552.db2.gz	SQZWVPPABKBCTR-FQEVSTJZSA-N	-1	0	467.352	5.977	40	0		JKABRM
CC(C)(C)OC(=O)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000104850623	569846676	/nfs/dbraw/zinc/84/66/76/569846676.db2.gz	GQIVAZYTLZQGHT-RUZDIDTESA-N	-1	0	487.552	5.176	40	0		JKABRM
O=C([O-])COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000106683179	569854564	/nfs/dbraw/zinc/85/45/64/569854564.db2.gz	GSULKFKFSNRMGG-CHHVJCJISA-N	-1	0	472.733	5.347	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1	ZINC000106716254	569855009	/nfs/dbraw/zinc/85/50/09/569855009.db2.gz	FLJAHFYKCZXERO-GRSHGNNSSA-N	-1	0	474.321	6.188	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)o1	ZINC000106730706	569855221	/nfs/dbraw/zinc/85/52/21/569855221.db2.gz	XRIPSVRIJKMTQZ-ODLFYWEKSA-N	-1	0	484.327	5.644	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)o1	ZINC000106732479	569855237	/nfs/dbraw/zinc/85/52/37/569855237.db2.gz	VRJCBLNBDKNAJE-JAIQZWGSSA-N	-1	0	498.354	5.952	40	0		JKABRM
C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O	ZINC000107796777	569857450	/nfs/dbraw/zinc/85/74/50/569857450.db2.gz	IIJQLKQAXQHZCI-SJWFJVLYSA-N	-1	0	456.589	5.343	40	0		JKABRM
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000107809998	569857482	/nfs/dbraw/zinc/85/74/82/569857482.db2.gz	HNMJTKOLVKZFCL-UHFFFAOYSA-N	-1	0	455.750	5.700	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1	ZINC000108276690	569859370	/nfs/dbraw/zinc/85/93/70/569859370.db2.gz	ULHHHOKBYIDWPD-UHFFFAOYSA-N	-1	0	482.911	6.029	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc43)ccc2Cl)c1	ZINC000108953405	569860018	/nfs/dbraw/zinc/86/00/18/569860018.db2.gz	MITLPESOPFEULA-UHFFFAOYSA-N	-1	0	464.974	6.163	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2Cl)cc1C	ZINC000108975189	569860060	/nfs/dbraw/zinc/86/00/60/569860060.db2.gz	FIHHQTAWECVHET-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118916572	569863181	/nfs/dbraw/zinc/86/31/81/569863181.db2.gz	WLNARFZDISHUGS-AMFDIKTBSA-N	-1	0	486.737	7.804	40	0		JKABRM
CCc1nc2c(cc(-c3cn4c(n3)CCCC4)cc2C)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000150340377	569867998	/nfs/dbraw/zinc/86/79/98/569867998.db2.gz	SOYCBUUKISWFER-UHFFFAOYSA-N	-1	0	490.607	6.520	40	0	in-man	JKABRM
C/C(=C\C(=O)Nc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc32)cc1)C(=O)[O-]	ZINC000211514572	569876191	/nfs/dbraw/zinc/87/61/91/569876191.db2.gz	JDXABUKDJFUFAN-JQIJEIRASA-N	-1	0	476.579	5.578	40	0		JKABRM
C/C(=C\C(=O)Nc1ccc(S[C@@H](C(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1)C(=O)[O-]	ZINC000211512643	569876197	/nfs/dbraw/zinc/87/61/97/569876197.db2.gz	LBRXJGOUVQGRBF-OJHGWFAHSA-N	-1	0	474.582	5.745	40	0		JKABRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)[O-]	ZINC000214401403	569876667	/nfs/dbraw/zinc/87/66/67/569876667.db2.gz	QVYBYQRVICVFAZ-QGMBQPNBSA-N	-1	0	482.341	5.092	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1)c1ccccc1	ZINC000216379558	569878540	/nfs/dbraw/zinc/87/85/40/569878540.db2.gz	VCUQKAXBVRIIFL-OAQYLSRUSA-N	-1	0	456.995	5.639	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)c1	ZINC000222562023	569885868	/nfs/dbraw/zinc/88/58/68/569885868.db2.gz	PZCFTDXLYYNPGV-UHFFFAOYSA-N	-1	0	467.056	5.163	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCSC3CCCC3)ccc2Cl)c(C)c1	ZINC000222653790	569887782	/nfs/dbraw/zinc/88/77/82/569887782.db2.gz	AVQZBRHDTAUBAK-UHFFFAOYSA-N	-1	0	467.056	5.163	40	0		JKABRM
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c([O-])c(I)c3)N21	ZINC000222687792	569888522	/nfs/dbraw/zinc/88/85/22/569888522.db2.gz	QPYSRKPVSHEWSD-XFBWCDHKSA-N	-1	0	485.778	5.025	40	0		JKABRM
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)N21	ZINC000222716632	569889452	/nfs/dbraw/zinc/88/94/52/569889452.db2.gz	HKQZESGGPCZAKD-TUACAJSNSA-N	-1	0	459.571	5.338	40	0		JKABRM
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)N21	ZINC000222716569	569889465	/nfs/dbraw/zinc/88/94/65/569889465.db2.gz	HKQZESGGPCZAKD-AGILITTLSA-N	-1	0	459.571	5.338	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2Cl)cc1	ZINC000222771493	569890668	/nfs/dbraw/zinc/89/06/68/569890668.db2.gz	WDTHNGQKZCYENK-UHFFFAOYSA-N	-1	0	464.974	5.532	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc32)ccc1Cl	ZINC000222849980	569892655	/nfs/dbraw/zinc/89/26/55/569892655.db2.gz	MPDCLZUWHKKGRT-UHFFFAOYSA-N	-1	0	464.974	5.532	40	0		JKABRM
C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCCC2	ZINC000222933926	569894774	/nfs/dbraw/zinc/89/47/74/569894774.db2.gz	OQKRBLBNJXTGBX-QGZVFWFLSA-N	-1	0	469.006	5.511	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)c1C	ZINC000222934566	569894827	/nfs/dbraw/zinc/89/48/27/569894827.db2.gz	LRDJKOPWAGZLLZ-LJQANCHMSA-N	-1	0	497.060	6.127	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)ccc2Cl)cc1C	ZINC000222935021	569894859	/nfs/dbraw/zinc/89/48/59/569894859.db2.gz	SQHLPUCZGZHPJI-LJQANCHMSA-N	-1	0	497.060	6.127	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)cc1C	ZINC000222989496	569896350	/nfs/dbraw/zinc/89/63/50/569896350.db2.gz	DBQHFOJYXWVBJB-UHFFFAOYSA-N	-1	0	496.938	5.706	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc2c(c1)CCCC2	ZINC000223056636	569898007	/nfs/dbraw/zinc/89/80/07/569898007.db2.gz	CEHFIGUHRBBQFL-XMMPIXPASA-N	-1	0	483.033	5.901	40	0		JKABRM
CC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc2c(c1)CCCC2	ZINC000223080916	569898863	/nfs/dbraw/zinc/89/88/63/569898863.db2.gz	ZJCKRZBGLPWAOL-JOCHJYFZSA-N	-1	0	454.617	5.309	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)c1	ZINC000223108756	569899644	/nfs/dbraw/zinc/89/96/44/569899644.db2.gz	IIFMYYQARILHBI-UHFFFAOYSA-N	-1	0	496.938	5.706	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1	ZINC000223118418	569899968	/nfs/dbraw/zinc/89/99/68/569899968.db2.gz	UUEBXGGGCRNQHF-DHIUTWEWSA-N	-1	0	482.005	5.998	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2Cl)c1	ZINC000223183113	569902535	/nfs/dbraw/zinc/90/25/35/569902535.db2.gz	ICWCCTROVFHMGX-QGZVFWFLSA-N	-1	0	469.006	5.429	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1	ZINC000223270379	569905588	/nfs/dbraw/zinc/90/55/88/569905588.db2.gz	DWJHZKKMRVDUNS-UHFFFAOYSA-N	-1	0	484.990	5.220	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCC(C)C)s3)ccc2Cl)c1	ZINC000223324428	569907558	/nfs/dbraw/zinc/90/75/58/569907558.db2.gz	LXHKFUMPDUFLGS-UHFFFAOYSA-N	-1	0	497.067	5.301	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccc(OC)cc2)ccc1C	ZINC000223348371	569908152	/nfs/dbraw/zinc/90/81/52/569908152.db2.gz	MAWVWPPVKLXBKJ-UHFFFAOYSA-N	-1	0	461.923	5.037	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1	ZINC000223364738	569908956	/nfs/dbraw/zinc/90/89/56/569908956.db2.gz	XEMLLRTUVGQCEN-FGZHOGPDSA-N	-1	0	479.945	5.459	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1	ZINC000223400698	569909940	/nfs/dbraw/zinc/90/99/40/569909940.db2.gz	PRKPLSCTQUIGBD-ZEQRLZLVSA-N	-1	0	455.539	5.213	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1	ZINC000223402395	569909962	/nfs/dbraw/zinc/90/99/62/569909962.db2.gz	VCOTXWUJGVCRRN-JWQCQUIFSA-N	-1	0	469.566	5.521	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1	ZINC000223402826	569910016	/nfs/dbraw/zinc/91/00/16/569910016.db2.gz	CMXOGAFNGJOHIS-DNQXCXABSA-N	-1	0	489.984	5.866	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223441143	569911497	/nfs/dbraw/zinc/91/14/97/569911497.db2.gz	HDRTUGYOUNUSLV-IZZNHLLZSA-N	-1	0	499.592	5.530	40	0		JKABRM
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000223441089	569911520	/nfs/dbraw/zinc/91/15/20/569911520.db2.gz	HDRTUGYOUNUSLV-FTJBHMTQSA-N	-1	0	499.592	5.530	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1	ZINC000223478140	569912664	/nfs/dbraw/zinc/91/26/64/569912664.db2.gz	XCRKGBCCFPXCLD-XZOQPEGZSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1	ZINC000223478059	569912681	/nfs/dbraw/zinc/91/26/81/569912681.db2.gz	XCRKGBCCFPXCLD-DHIUTWEWSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)c1	ZINC000223478183	569912701	/nfs/dbraw/zinc/91/27/01/569912701.db2.gz	XCRKGBCCFPXCLD-GOTSBHOMSA-N	-1	0	490.972	5.261	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2Cl)c1	ZINC000223489496	569913240	/nfs/dbraw/zinc/91/32/40/569913240.db2.gz	DUZSFFHTKQXKJX-UHFFFAOYSA-N	-1	0	456.995	5.200	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1	ZINC000223515791	569914262	/nfs/dbraw/zinc/91/42/62/569914262.db2.gz	MTVBWSQMEQYTGE-XZOQPEGZSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1	ZINC000223515681	569914307	/nfs/dbraw/zinc/91/43/07/569914307.db2.gz	MTVBWSQMEQYTGE-DHIUTWEWSA-N	-1	0	490.972	5.261	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)c1	ZINC000223515739	569914309	/nfs/dbraw/zinc/91/43/09/569914309.db2.gz	MTVBWSQMEQYTGE-PKTZIBPZSA-N	-1	0	490.972	5.261	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(SCC(C)C)s3)ccc2Cl)cc1	ZINC000223539385	569915139	/nfs/dbraw/zinc/91/51/39/569915139.db2.gz	CYVZLYBWWUNEQM-UHFFFAOYSA-N	-1	0	497.067	5.301	40	0		JKABRM
O=C(NCCOc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223602236	569917514	/nfs/dbraw/zinc/91/75/14/569917514.db2.gz	UDHZYZXVDCTWFQ-UHFFFAOYSA-N	-1	0	480.973	5.103	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc2Cl)c1	ZINC000223602387	569917516	/nfs/dbraw/zinc/91/75/16/569917516.db2.gz	CHVNYDFOTPOOIW-UHFFFAOYSA-N	-1	0	495.000	5.411	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc2Cl)cc1	ZINC000223602461	569917544	/nfs/dbraw/zinc/91/75/44/569917544.db2.gz	YWKHSYYWLDKLRO-UHFFFAOYSA-N	-1	0	495.000	5.411	40	0		JKABRM
CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000223690099	569920077	/nfs/dbraw/zinc/92/00/77/569920077.db2.gz	BUIRATKMWIOLNZ-UHFFFAOYSA-N	-1	0	487.021	5.247	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc2Cl)cc1	ZINC000223726072	569921230	/nfs/dbraw/zinc/92/12/30/569921230.db2.gz	KKRKOYPSIZSURN-UHFFFAOYSA-N	-1	0	482.911	5.398	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccccc2C(C)C)ccc1Cl	ZINC000223767800	569922677	/nfs/dbraw/zinc/92/26/77/569922677.db2.gz	UTZWCGPOSWTKHS-UHFFFAOYSA-N	-1	0	487.021	5.381	40	0		JKABRM
O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)ccc21	ZINC000223826992	569924461	/nfs/dbraw/zinc/92/44/61/569924461.db2.gz	VJRCZMDABCGJER-UHFFFAOYSA-N	-1	0	468.962	5.232	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000223829309	569924561	/nfs/dbraw/zinc/92/45/61/569924561.db2.gz	OUXPFKKWORJCPV-DQEYMECFSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000223829380	569924595	/nfs/dbraw/zinc/92/45/95/569924595.db2.gz	OUXPFKKWORJCPV-RPBOFIJWSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000223829630	569924598	/nfs/dbraw/zinc/92/45/98/569924598.db2.gz	UOCAIXFJFOCBDN-RPBOFIJWSA-N	-1	0	484.581	5.146	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223833791	569924656	/nfs/dbraw/zinc/92/46/56/569924656.db2.gz	PDLFMAVGEIOYME-RPBOFIJWSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000223833593	569924664	/nfs/dbraw/zinc/92/46/64/569924664.db2.gz	YYAQWICJVHWVIM-LOSJGSFVSA-N	-1	0	485.565	5.616	40	0		JKABRM
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000223833844	569924678	/nfs/dbraw/zinc/92/46/78/569924678.db2.gz	PDLFMAVGEIOYME-LOSJGSFVSA-N	-1	0	485.565	5.616	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223876677	569925955	/nfs/dbraw/zinc/92/59/55/569925955.db2.gz	KKAFOMIFDYDCKJ-XZOQPEGZSA-N	-1	0	491.956	5.576	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1	ZINC000223876726	569925956	/nfs/dbraw/zinc/92/59/56/569925956.db2.gz	KKAFOMIFDYDCKJ-GOTSBHOMSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)o1	ZINC000223914209	569927080	/nfs/dbraw/zinc/92/70/80/569927080.db2.gz	IKUIJCATJYKTNZ-CLJLJLNGSA-N	-1	0	498.608	5.591	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2Cl)c(C)c1	ZINC000223922510	569927365	/nfs/dbraw/zinc/92/73/65/569927365.db2.gz	YOGIIUPFQACSAQ-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3cccc(C)c3C)ccc2Cl)c1C	ZINC000223922424	569927403	/nfs/dbraw/zinc/92/74/03/569927403.db2.gz	MGEPRSMNYGLCPY-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2Cl)c1	ZINC000223959164	569928417	/nfs/dbraw/zinc/92/84/17/569928417.db2.gz	SNSDDHATSWRUCK-UHFFFAOYSA-N	-1	0	490.968	6.601	40	0		JKABRM
CCCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1	ZINC000223957804	569928432	/nfs/dbraw/zinc/92/84/32/569928432.db2.gz	IEKAIAIUJWLQRG-UHFFFAOYSA-N	-1	0	487.021	5.211	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2Cl)c1	ZINC000223959568	569928508	/nfs/dbraw/zinc/92/85/08/569928508.db2.gz	NOTRINVZNLSUQP-UHFFFAOYSA-N	-1	0	492.000	5.687	40	0		JKABRM
CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1	ZINC000223962879	569928574	/nfs/dbraw/zinc/92/85/74/569928574.db2.gz	VPDMOSCNNCKGAK-GOSISDBHSA-N	-1	0	451.032	5.704	40	0		JKABRM
Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c(C)c1	ZINC000223963923	569928645	/nfs/dbraw/zinc/92/86/45/569928645.db2.gz	OWGTUBYJDDNLHZ-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)c(C)c1	ZINC000223964902	569928663	/nfs/dbraw/zinc/92/86/63/569928663.db2.gz	CDBLQVBJVXHLOU-UHFFFAOYSA-N	-1	0	451.032	5.702	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccccc3Cl)ccc2Cl)c1	ZINC000223967279	569928791	/nfs/dbraw/zinc/92/87/91/569928791.db2.gz	ZCCPMKPUQGZTJO-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2Cl)c1	ZINC000223967743	569928805	/nfs/dbraw/zinc/92/88/05/569928805.db2.gz	DLUWAOHHQVOLFA-GOSISDBHSA-N	-1	0	456.995	5.291	40	0		JKABRM
CCc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000223968290	569928885	/nfs/dbraw/zinc/92/88/85/569928885.db2.gz	FQOOGVNQYOPRJD-UHFFFAOYSA-N	-1	0	487.021	5.129	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Cl)cc1C	ZINC000223969129	569928895	/nfs/dbraw/zinc/92/88/95/569928895.db2.gz	YYDIKMCVDPEZLM-UHFFFAOYSA-N	-1	0	477.413	5.384	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)ccc2Cl)cc1C	ZINC000223970764	569928960	/nfs/dbraw/zinc/92/89/60/569928960.db2.gz	NLJHVSRLWWWANS-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1cc(C)cc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1	ZINC000224073985	569932452	/nfs/dbraw/zinc/93/24/52/569932452.db2.gz	KAQOMKGZXGERKP-UHFFFAOYSA-N	-1	0	487.021	5.183	40	0		JKABRM
Cc1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1Cl	ZINC000224140721	569934289	/nfs/dbraw/zinc/93/42/89/569934289.db2.gz	JFDWBFVWSZWUAR-UHFFFAOYSA-N	-1	0	493.412	5.220	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1	ZINC000224184686	569935642	/nfs/dbraw/zinc/93/56/42/569935642.db2.gz	WJBBJIIDIOJIMS-XZOQPEGZSA-N	-1	0	475.957	5.870	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224216387	569936815	/nfs/dbraw/zinc/93/68/15/569936815.db2.gz	BHJJQZSOBVUWCC-DNQXCXABSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000224216147	569936843	/nfs/dbraw/zinc/93/68/43/569936843.db2.gz	JWWWJBOKVBSKBW-BJKOFHAPSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1	ZINC000224218017	569936900	/nfs/dbraw/zinc/93/69/00/569936900.db2.gz	GEWWBWYNAHLSNE-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1	ZINC000224218450	569936944	/nfs/dbraw/zinc/93/69/44/569936944.db2.gz	JEIHYDOGWZTWSN-BJKOFHAPSA-N	-1	0	489.984	6.179	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224244997	569937901	/nfs/dbraw/zinc/93/79/01/569937901.db2.gz	POXGRFWVULQABA-BJKOFHAPSA-N	-1	0	454.555	5.056	40	0		JKABRM
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224248679	569938069	/nfs/dbraw/zinc/93/80/69/569938069.db2.gz	LYMHQEJCYPRXSG-RPWUZVMVSA-N	-1	0	455.539	5.525	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1C	ZINC000224278059	569938996	/nfs/dbraw/zinc/93/89/96/569938996.db2.gz	ZPVXISSJWIRZNA-DQEYMECFSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1C	ZINC000224281456	569939142	/nfs/dbraw/zinc/93/91/42/569939142.db2.gz	VIXCIRCDIGJQCG-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1C	ZINC000224281175	569939174	/nfs/dbraw/zinc/93/91/74/569939174.db2.gz	ORTHMYGOJQAWGE-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C	ZINC000224283255	569939276	/nfs/dbraw/zinc/93/92/76/569939276.db2.gz	KAHIQJZGDXUPBA-UIOOFZCWSA-N	-1	0	483.593	6.142	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(=O)[O-])c2)c1	ZINC000224312790	569940110	/nfs/dbraw/zinc/94/01/10/569940110.db2.gz	OLBIBRLDKSIHQE-RPBOFIJWSA-N	-1	0	468.582	5.364	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224316233	569940228	/nfs/dbraw/zinc/94/02/28/569940228.db2.gz	WEJGDYUIWLMKEJ-DQEYMECFSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)c1	ZINC000224316311	569940244	/nfs/dbraw/zinc/94/02/44/569940244.db2.gz	WEJGDYUIWLMKEJ-LOSJGSFVSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224316459	569940311	/nfs/dbraw/zinc/94/03/11/569940311.db2.gz	OLOOWYKSXSWFPW-RPBOFIJWSA-N	-1	0	469.566	5.834	40	0		JKABRM
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1	ZINC000224318304	569940336	/nfs/dbraw/zinc/94/03/36/569940336.db2.gz	OICJUCCKNIMPQX-CLJLJLNGSA-N	-1	0	483.593	6.142	40	0		JKABRM
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000224348596	569941501	/nfs/dbraw/zinc/94/15/01/569941501.db2.gz	XLWHZCSIZRCFIM-JWQCQUIFSA-N	-1	0	469.566	5.779	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(=O)[O-])c2)cc1	ZINC000224377634	569942511	/nfs/dbraw/zinc/94/25/11/569942511.db2.gz	AWOXJIDRGGKTIH-CLJLJLNGSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000224377794	569942519	/nfs/dbraw/zinc/94/25/19/569942519.db2.gz	ZGUPQENNLKQFSN-IZZNHLLZSA-N	-1	0	482.609	5.871	40	0		JKABRM
CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000224381126	569942646	/nfs/dbraw/zinc/94/26/46/569942646.db2.gz	IVFAJLYASFCRFF-UIOOFZCWSA-N	-1	0	483.593	6.340	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)o1	ZINC000224382863	569942691	/nfs/dbraw/zinc/94/26/91/569942691.db2.gz	RSGHBLDAJYSCDT-KAYWLYCHSA-N	-1	0	497.620	6.649	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224412467	569943794	/nfs/dbraw/zinc/94/37/94/569943794.db2.gz	JKALKVLJJBNPSD-DHIUTWEWSA-N	-1	0	459.502	5.356	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1	ZINC000224414357	569943870	/nfs/dbraw/zinc/94/38/70/569943870.db2.gz	WZQHHGSPIKUUGO-DNQXCXABSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1	ZINC000224414805	569943912	/nfs/dbraw/zinc/94/39/12/569943912.db2.gz	WCZLNPHHQYTFHA-PKTZIBPZSA-N	-1	0	493.947	6.009	40	0		JKABRM
Cc1cc(C(=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1	ZINC000224447986	569944868	/nfs/dbraw/zinc/94/48/68/569944868.db2.gz	OLXBGCCGDKDCJP-ZEQRLZLVSA-N	-1	0	473.529	5.664	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224476990	569945656	/nfs/dbraw/zinc/94/56/56/569945656.db2.gz	OBCQHEIBMXVJAV-XZOQPEGZSA-N	-1	0	475.957	5.870	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224477161	569945657	/nfs/dbraw/zinc/94/56/57/569945657.db2.gz	OEPNSFHLAPBHIF-XZOQPEGZSA-N	-1	0	475.957	5.870	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1	ZINC000224477037	569945682	/nfs/dbraw/zinc/94/56/82/569945682.db2.gz	OBCQHEIBMXVJAV-GOTSBHOMSA-N	-1	0	475.957	5.870	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1	ZINC000224477130	569945691	/nfs/dbraw/zinc/94/56/91/569945691.db2.gz	OEPNSFHLAPBHIF-PKTZIBPZSA-N	-1	0	475.957	5.870	40	0		JKABRM
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3C(=O)[O-])o2)c1	ZINC000224545944	569947925	/nfs/dbraw/zinc/94/79/25/569947925.db2.gz	JZXUIWIQNRSCIR-RPWUZVMVSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)c1	ZINC000224546432	569947926	/nfs/dbraw/zinc/94/79/26/569947926.db2.gz	DNURUGKQIQIHSJ-BJKOFHAPSA-N	-1	0	471.538	5.226	40	0		JKABRM
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)[O-])cc2C)o1	ZINC000224584339	569949592	/nfs/dbraw/zinc/94/95/92/569949592.db2.gz	FNWIEZVOEZVWER-JWQCQUIFSA-N	-1	0	485.565	5.534	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)s1)c1ccc(Cl)cc1Cl	ZINC000224600553	569950045	/nfs/dbraw/zinc/95/00/45/569950045.db2.gz	GAUFZCAKLVQWLZ-UHFFFAOYSA-N	-1	0	498.200	5.205	40	0		JKABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1	ZINC000224620020	569951100	/nfs/dbraw/zinc/95/11/00/569951100.db2.gz	ITTHWWWZMNWDEM-XZOQPEGZSA-N	-1	0	491.956	5.576	40	0		JKABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SCc2ccc(Cl)cc2)ccc1Cl	ZINC000224651525	569952269	/nfs/dbraw/zinc/95/22/69/569952269.db2.gz	WAVUHEAFAQUSRS-UHFFFAOYSA-N	-1	0	482.410	5.873	40	0		JKABRM
O=C([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1	ZINC000224881804	569961754	/nfs/dbraw/zinc/96/17/54/569961754.db2.gz	TULMGPQOHZVSDY-PKTZIBPZSA-N	-1	0	491.956	5.576	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(C(=O)[O-])cc3)o2)ccc1F	ZINC000224911302	569963028	/nfs/dbraw/zinc/96/30/28/569963028.db2.gz	KKCNNLJYCMMWBH-BJKOFHAPSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)ccc1F	ZINC000224911054	569963044	/nfs/dbraw/zinc/96/30/44/569963044.db2.gz	SSLIDHPDSSJIBT-ZEQRLZLVSA-N	-1	0	473.529	5.664	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCC4)cc3)ccc2Cl)cc1C	ZINC000224912275	569963115	/nfs/dbraw/zinc/96/31/15/569963115.db2.gz	ZMKGWTVKDQQHOS-UHFFFAOYSA-N	-1	0	484.021	5.610	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)c1	ZINC000224954750	569964829	/nfs/dbraw/zinc/96/48/29/569964829.db2.gz	ZCWLKSHSJXWWLR-UHFFFAOYSA-N	-1	0	498.048	6.000	40	0		JKABRM
CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1	ZINC000408594210	569965426	/nfs/dbraw/zinc/96/54/26/569965426.db2.gz	NUZROTDAFLKYMS-UHFFFAOYSA-N	-1	0	473.982	5.711	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1)N1CCCCC1	ZINC000408597559	569967502	/nfs/dbraw/zinc/96/75/02/569967502.db2.gz	ZGTZPCPMUVYBHY-UHFFFAOYSA-N	-1	0	485.993	5.951	40	0		JKABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1)N1CCCCCC1	ZINC000408598361	569968031	/nfs/dbraw/zinc/96/80/31/569968031.db2.gz	ZKNYFRYQLFOJSZ-UHFFFAOYSA-N	-1	0	465.575	5.688	40	0		JKABRM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)cc1C(=O)N1CCCC1	ZINC000408601728	569969281	/nfs/dbraw/zinc/96/92/81/569969281.db2.gz	GUGSNVDHGJAOPP-UHFFFAOYSA-N	-1	0	470.978	5.478	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1	ZINC000408602855	569969623	/nfs/dbraw/zinc/96/96/23/569969623.db2.gz	BBQFGQSYPRGFNA-UHFFFAOYSA-N	-1	0	460.299	5.486	40	0		JKABRM
COc1cc(CNc2cccc(C(=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc21	ZINC000408603882	569970101	/nfs/dbraw/zinc/97/01/01/569970101.db2.gz	DIRMCBKXWTVMAH-UHFFFAOYSA-N	-1	0	492.369	6.500	40	0		JKABRM
O=C([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1	ZINC000225052785	569972036	/nfs/dbraw/zinc/97/20/36/569972036.db2.gz	RIMRGXBQOSYTQY-FTJBHMTQSA-N	-1	0	497.624	5.045	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2Cl)c1C	ZINC000225054090	569972175	/nfs/dbraw/zinc/97/21/75/569972175.db2.gz	CGNKDMPHUSFXBB-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c2ccccc2O1	ZINC000225065116	569972896	/nfs/dbraw/zinc/97/28/96/569972896.db2.gz	IVYJUULREXNZRW-JOCHJYFZSA-N	-1	0	499.032	5.953	40	0		JKABRM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1)C(=O)NC1CCCCC1	ZINC000408612055	569972959	/nfs/dbraw/zinc/97/29/59/569972959.db2.gz	YCODVKWCQVYQOH-FQEVSTJZSA-N	-1	0	494.613	5.496	40	0		JKABRM
O=C([O-])c1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1	ZINC000408612555	569973081	/nfs/dbraw/zinc/97/30/81/569973081.db2.gz	SLYOAKQLIOETLJ-UHFFFAOYSA-N	-1	0	462.343	6.492	40	0		JKABRM
O=C([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1	ZINC000408612583	569973103	/nfs/dbraw/zinc/97/31/03/569973103.db2.gz	STNSRTNIVJFUJY-UHFFFAOYSA-N	-1	0	491.179	6.101	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408613433	569973309	/nfs/dbraw/zinc/97/33/09/569973309.db2.gz	UFQYIFVOKHXRGT-UHFFFAOYSA-N	-1	0	468.937	5.375	40	0		JKABRM
CCOc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccc(Br)cc1	ZINC000408613803	569973566	/nfs/dbraw/zinc/97/35/66/569973566.db2.gz	VRRDNIVEPRIPEX-UHFFFAOYSA-N	-1	0	456.336	5.737	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc2Cl)cc1	ZINC000408615409	569974630	/nfs/dbraw/zinc/97/46/30/569974630.db2.gz	PZTBNOZLKWXMGO-UHFFFAOYSA-N	-1	0	491.012	5.969	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2Cl)c(C)c1	ZINC000408615692	569974863	/nfs/dbraw/zinc/97/48/63/569974863.db2.gz	CFRLXIZZVPOGQB-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)c(C)c1	ZINC000408617400	569976206	/nfs/dbraw/zinc/97/62/06/569976206.db2.gz	GKWAQAOFLCDPSY-UHFFFAOYSA-N	-1	0	473.038	5.456	40	0		JKABRM
COc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c(OC)cc1Cl	ZINC000408618089	569976537	/nfs/dbraw/zinc/97/65/37/569976537.db2.gz	JKOYPEHCBHEASO-UHFFFAOYSA-N	-1	0	495.384	5.372	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)ccc1Cl	ZINC000408620260	569977641	/nfs/dbraw/zinc/97/76/41/569977641.db2.gz	NNFODONFGOZLLZ-GOSISDBHSA-N	-1	0	456.995	5.200	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1	ZINC000408622093	569978664	/nfs/dbraw/zinc/97/86/64/569978664.db2.gz	MKRWBPIJIJBZTN-UHFFFAOYSA-N	-1	0	492.984	6.494	40	0		JKABRM
COc1ccc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3OC)ccc2c1	ZINC000225158423	569978925	/nfs/dbraw/zinc/97/89/25/569978925.db2.gz	BQIFNKIWOZWJBF-UHFFFAOYSA-N	-1	0	469.946	6.104	40	0		JKABRM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)ccc1NC(=O)c1ccccc1	ZINC000408625243	569980099	/nfs/dbraw/zinc/98/00/99/569980099.db2.gz	ROZSQPIZRLGVJI-UHFFFAOYSA-N	-1	0	468.884	5.720	40	0		JKABRM
CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000225182544	569980755	/nfs/dbraw/zinc/98/07/55/569980755.db2.gz	LUYPXOWLBAZJMT-SFHVURJKSA-N	-1	0	471.022	5.811	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2Cl)c1	ZINC000408628452	569981420	/nfs/dbraw/zinc/98/14/20/569981420.db2.gz	XNNAOQDVAQMMTN-UHFFFAOYSA-N	-1	0	473.038	5.456	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408630797	569982470	/nfs/dbraw/zinc/98/24/70/569982470.db2.gz	CUJLLFRSQGYUKT-YVLHZVERSA-N	-1	0	478.343	5.066	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3c(OC)ccc4ccccc43)C(=O)[O-])o2)c1	ZINC000408631034	569982707	/nfs/dbraw/zinc/98/27/07/569982707.db2.gz	BREPIRLYBUIGHF-BKUYFWCQSA-N	-1	0	464.499	5.133	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2Cl)c1C	ZINC000408631075	569982732	/nfs/dbraw/zinc/98/27/32/569982732.db2.gz	ZSAJCDBAIGTBBC-UHFFFAOYSA-N	-1	0	472.994	5.797	40	0		JKABRM
CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])c2ccccc12	ZINC000408630987	569982739	/nfs/dbraw/zinc/98/27/39/569982739.db2.gz	BJYQPOLWHPPVIN-MTJSOVHGSA-N	-1	0	482.945	6.168	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)[O-])n[nH]1	ZINC000408631154	569982843	/nfs/dbraw/zinc/98/28/43/569982843.db2.gz	FKINSZOLIVGFKE-UNOMPAQXSA-N	-1	0	487.368	5.796	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631156	569982856	/nfs/dbraw/zinc/98/28/56/569982856.db2.gz	FLIXSBCUEGWYMJ-GRSHGNNSSA-N	-1	0	494.400	5.869	40	0		JKABRM
CCc1nc(SC(=Cc2ccc(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408631235	569982865	/nfs/dbraw/zinc/98/28/65/569982865.db2.gz	GQRVDVGDTRKLHF-HMAPJEAMSA-N	-1	0	461.543	5.326	40	0		JKABRM
CCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)[O-])n[nH]1	ZINC000408631393	569982947	/nfs/dbraw/zinc/98/29/47/569982947.db2.gz	IIZADHJLDHYJAT-YVLHZVERSA-N	-1	0	450.347	5.471	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)[O-])o1	ZINC000408631368	569982963	/nfs/dbraw/zinc/98/29/63/569982963.db2.gz	IABRUMZHIBFVGM-MFOYZWKCSA-N	-1	0	451.331	5.736	40	0		JKABRM
CC(C)(C)c1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc(C(C)(C)C)c1O	ZINC000408631678	569983071	/nfs/dbraw/zinc/98/30/71/569983071.db2.gz	AIHKDYXNWGVLBI-UYRXBGFRSA-N	-1	0	487.021	6.908	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n[nH]1	ZINC000408631640	569983093	/nfs/dbraw/zinc/98/30/93/569983093.db2.gz	KWPWFHAVRUCCRJ-ZDLGFXPLSA-N	-1	0	498.819	6.514	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(CC)n2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	ZINC000408631784	569983209	/nfs/dbraw/zinc/98/32/09/569983209.db2.gz	LKQFDMAKQUEDRI-GRSHGNNSSA-N	-1	0	494.400	5.869	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc(C)n(-c3cccnc3)c2C)C(=O)[O-])n[nH]1	ZINC000408631832	569983318	/nfs/dbraw/zinc/98/33/18/569983318.db2.gz	MAOHLIILEULPKP-JMIUGGIZSA-N	-1	0	481.965	5.154	40	0		JKABRM
CCc1nc(SC(=Cc2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)[O-])n[nH]1	ZINC000408631841	569983375	/nfs/dbraw/zinc/98/33/75/569983375.db2.gz	MDCKOSDJODYHAW-YVLHZVERSA-N	-1	0	450.347	5.471	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(CC)o2)C(=O)[O-])ccc1OCc1ccc(Cl)cc1	ZINC000408631915	569983382	/nfs/dbraw/zinc/98/33/82/569983382.db2.gz	NELJWYPZSSDRTL-UNOMPAQXSA-N	-1	0	460.939	5.481	40	0		JKABRM
O=C([O-])C[C@H](NC(=S)Nc1nccc(-c2cccs2)n1)c1ccc(Cl)cc1Cl	ZINC000225221282	569983389	/nfs/dbraw/zinc/98/33/89/569983389.db2.gz	JSAGMBGUTOYYBE-AWEZNQCLSA-N	-1	0	453.376	5.014	40	0		JKABRM
Cc1nnc(S/C(=C/c2ccc(-c3cc(Br)ccc3Br)o2)C(=O)[O-])o1	ZINC000408632090	569983450	/nfs/dbraw/zinc/98/34/50/569983450.db2.gz	RZCPYWUWEKZEMK-VGOFMYFVSA-N	-1	0	486.141	5.381	40	0		JKABRM
CCCc1nc(SC(=Cc2ccccc2OCc2ccc(Br)cc2)C(=O)[O-])n[nH]1	ZINC000408632133	569983457	/nfs/dbraw/zinc/98/34/57/569983457.db2.gz	NRBRTCCPIYQPDM-PDGQHHTCSA-N	-1	0	474.380	5.317	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1cccc(Cl)c1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632075	569983461	/nfs/dbraw/zinc/98/34/61/569983461.db2.gz	DCXQLJPUNFMCPQ-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])c2ccccc2n1Cc1ccccc1Cl	ZINC000408632059	569983469	/nfs/dbraw/zinc/98/34/69/569983469.db2.gz	CZYYDRIZSDOLPP-OYKKKHCWSA-N	-1	0	474.969	7.010	40	0		JKABRM
CSc1ccc([C@@H](CC(=O)[O-])NC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)cc1	ZINC000225222936	569983518	/nfs/dbraw/zinc/98/35/18/569983518.db2.gz	PXIAKWOGXVBEIV-LJQANCHMSA-N	-1	0	490.075	6.111	40	0		JKABRM
O=C([O-])C(=Cc1ccccc1OCc1ccccc1F)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632358	569983567	/nfs/dbraw/zinc/98/35/67/569983567.db2.gz	DWYPQLVZVLRYLA-BKUYFWCQSA-N	-1	0	481.936	6.061	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)[O-])o1	ZINC000408632241	569983573	/nfs/dbraw/zinc/98/35/73/569983573.db2.gz	PFJHVWYBIPUFEI-BOPFTXTBSA-N	-1	0	461.337	5.191	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(Br)cc2)C(=O)[O-])n[nH]1	ZINC000408632263	569983608	/nfs/dbraw/zinc/98/36/08/569983608.db2.gz	PKSUJSQNIKIRMN-NVNXTCNLSA-N	-1	0	466.744	5.114	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408632466	569983708	/nfs/dbraw/zinc/98/37/08/569983708.db2.gz	QIRZFPMPHOUOIU-XKZIYDEJSA-N	-1	0	467.591	5.488	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408632386	569983727	/nfs/dbraw/zinc/98/37/27/569983727.db2.gz	FKDUWJYOKMNFOS-YVLHZVERSA-N	-1	0	493.755	7.175	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2cccc3ccccc32)cc1)Sc1nc2ccccc2[nH]1	ZINC000408632388	569983729	/nfs/dbraw/zinc/98/37/29/569983729.db2.gz	FKRBPNYKXADSFU-XYGWBWBKSA-N	-1	0	452.535	6.513	40	0		JKABRM
Cc1nnc(S/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)C(=O)[O-])o1	ZINC000408632515	569983738	/nfs/dbraw/zinc/98/37/38/569983738.db2.gz	QQSZLRHVQRGOLH-MTJSOVHGSA-N	-1	0	497.370	6.091	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3c4ccccc4[nH]c3-c3ccccc3)C(=O)[O-])o2)c1	ZINC000408632430	569983746	/nfs/dbraw/zinc/98/37/46/569983746.db2.gz	IVDHUTPNGSAWSC-HAHDFKILSA-N	-1	0	499.548	6.120	40	0		JKABRM
COc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])cc1Br	ZINC000408632423	569983793	/nfs/dbraw/zinc/98/37/93/569983793.db2.gz	ISZJTOIWFATBKJ-PXNMLYILSA-N	-1	0	497.754	5.388	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)[O-])ccc1OC(C)C	ZINC000408633070	569984144	/nfs/dbraw/zinc/98/41/44/569984144.db2.gz	LHPOIKTYNCWORZ-JAIQZWGSSA-N	-1	0	490.965	5.802	40	0		JKABRM
O=C([O-])C(=Cc1ccc(OCc2ccccc2F)cc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632926	569984156	/nfs/dbraw/zinc/98/41/56/569984156.db2.gz	HQUOOKZSMLGIKH-BKUYFWCQSA-N	-1	0	481.936	6.061	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)C(=O)[O-])n[nH]1	ZINC000408633038	569984168	/nfs/dbraw/zinc/98/41/68/569984168.db2.gz	VEMXKMQKFPWMGY-WQRHYEAKSA-N	-1	0	492.370	5.456	40	0		JKABRM
O=C([O-])C(=Cc1c2ccccc2[nH]c1-c1ccccc1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408632973	569984173	/nfs/dbraw/zinc/98/41/73/569984173.db2.gz	IIQLZMVWLIMAJR-STZFKDTASA-N	-1	0	472.957	6.491	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cccc(OCc3ccccc3)c2)C(=O)[O-])n[nH]1	ZINC000408633080	569984212	/nfs/dbraw/zinc/98/42/12/569984212.db2.gz	VTMOYLHEWQXIBL-XKZIYDEJSA-N	-1	0	493.972	5.931	40	0		JKABRM
CCc1nnc(S/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)C(=O)[O-])o1	ZINC000408633162	569984310	/nfs/dbraw/zinc/98/43/10/569984310.db2.gz	WRNMJLGNSFLCKE-HMAPJEAMSA-N	-1	0	462.527	5.591	40	0		JKABRM
CCCc1nc(SC(=Cc2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408633112	569984313	/nfs/dbraw/zinc/98/43/13/569984313.db2.gz	VYOKWEZUIDZCKO-PDGQHHTCSA-N	-1	0	459.955	5.216	40	0		JKABRM
CCn1c(S/C(=C\c2cccc3ccccc23)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408633137	569984321	/nfs/dbraw/zinc/98/43/21/569984321.db2.gz	LTMUXVHYLSMHQK-HMAPJEAMSA-N	-1	0	461.543	5.353	40	0		JKABRM
CCc1nc(SC(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)[O-])n[nH]1	ZINC000408633143	569984336	/nfs/dbraw/zinc/98/43/36/569984336.db2.gz	WJMGJZPUCJXSBF-MFOYZWKCSA-N	-1	0	450.347	5.471	40	0		JKABRM
CCCc1nc(SC(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408633131	569984358	/nfs/dbraw/zinc/98/43/58/569984358.db2.gz	WEJNANGZLDASTN-ODLFYWEKSA-N	-1	0	494.400	5.869	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])ccc1OCc1cccc2ccccc21	ZINC000408633315	569984383	/nfs/dbraw/zinc/98/43/83/569984383.db2.gz	XRUITDZIQAVONK-UCQKPKSFSA-N	-1	0	462.527	5.727	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(OC(C)C)c3ccccc23)C(=O)[O-])n[nH]1	ZINC000408633422	569984507	/nfs/dbraw/zinc/98/45/07/569984507.db2.gz	YIOAXMPOLQNXEI-UUYOSTAYSA-N	-1	0	495.988	6.292	40	0		JKABRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)[O-])n[nH]1	ZINC000408633640	569984655	/nfs/dbraw/zinc/98/46/55/569984655.db2.gz	OHRUWQQSZBWTLY-ODLFYWEKSA-N	-1	0	488.352	6.265	40	0		JKABRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)[O-])o1	ZINC000408633603	569984704	/nfs/dbraw/zinc/98/47/04/569984704.db2.gz	OCQWOGZUDYVKEP-XKZIYDEJSA-N	-1	0	494.956	6.195	40	0		JKABRM
CCCCOc1ccc2ccccc2c1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-]	ZINC000408633675	569984714	/nfs/dbraw/zinc/98/47/14/569984714.db2.gz	LLWUAFCFTLHPBM-JCMHNJIXSA-N	-1	0	480.973	6.940	40	0		JKABRM
CCOc1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(Cl)c1OC	ZINC000408633915	569984780	/nfs/dbraw/zinc/98/47/80/569984780.db2.gz	NITOHNAMJSJLEY-YBEGLDIGSA-N	-1	0	466.346	5.404	40	0		JKABRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(Cl)cc3Cl)C(=O)[O-])o2)c1	ZINC000408633884	569984796	/nfs/dbraw/zinc/98/47/96/569984796.db2.gz	QGFJHBJFYUXCNC-APSNUPSMSA-N	-1	0	453.303	5.278	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1c(C)cc(C)cc1C	ZINC000408633836	569984816	/nfs/dbraw/zinc/98/48/16/569984816.db2.gz	MISFDDVOUXDCRX-YSMPRRRNSA-N	-1	0	488.609	6.684	40	0		JKABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cccc(Cl)c3Cl)C(=O)[O-])n[nH]2)c1	ZINC000408634310	569985022	/nfs/dbraw/zinc/98/50/22/569985022.db2.gz	UDJUKGNWJCVCQI-NVNXTCNLSA-N	-1	0	452.319	5.014	40	0		JKABRM
CC(C)(C)c1cc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc(C(C)(C)C)c1O	ZINC000408634065	569984907	/nfs/dbraw/zinc/98/49/07/569984907.db2.gz	OKWKOFRBTWYZAF-UYRXBGFRSA-N	-1	0	486.037	6.644	40	0		JKABRM
Cc1ccc(Cl)cc1-c1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])o1	ZINC000408634063	569984913	/nfs/dbraw/zinc/98/49/13/569984913.db2.gz	OJQKHUHUSRZMAG-ODLFYWEKSA-N	-1	0	472.353	6.565	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Sc1nc2ccccc2o1	ZINC000408634076	569984927	/nfs/dbraw/zinc/98/49/27/569984927.db2.gz	OQFTUIZKTSSJLS-MTJSOVHGSA-N	-1	0	472.349	6.931	40	0		JKABRM
COc1ccc(C=C(Sc2n[nH]c(-c3ccc(Cl)cc3)n2)C(=O)[O-])cc1Br	ZINC000408634053	569984944	/nfs/dbraw/zinc/98/49/44/569984944.db2.gz	OGEQQKHGVHNQDN-DHDCSXOGSA-N	-1	0	466.744	5.114	40	0		JKABRM
CCn1c(S/C(=C\c2ccc(OC(C)C)c(OC)c2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634077	569984956	/nfs/dbraw/zinc/98/49/56/569984956.db2.gz	ORHZUNAOXKBIFW-MOSHPQCFSA-N	-1	0	473.982	5.632	40	0		JKABRM
CCOc1c(Br)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)[O-])cc1OC	ZINC000408634553	569985151	/nfs/dbraw/zinc/98/51/51/569985151.db2.gz	RKYIJPVPXHKPOX-YBEGLDIGSA-N	-1	0	450.310	5.215	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)Sc1nc2ccccc2o1	ZINC000408634397	569985174	/nfs/dbraw/zinc/98/51/74/569985174.db2.gz	QQPQPUYCCHCZOM-BKUYFWCQSA-N	-1	0	482.355	6.387	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccc(Cl)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634617	569985287	/nfs/dbraw/zinc/98/52/87/569985287.db2.gz	SMFYDEGXKNCDFN-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
O=C([O-])/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408634598	569985295	/nfs/dbraw/zinc/98/52/95/569985295.db2.gz	SENWGZWVTBGYCJ-ZDLGFXPLSA-N	-1	0	493.755	7.175	40	0		JKABRM
COc1cc(OC)c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1Br	ZINC000408634797	569985378	/nfs/dbraw/zinc/98/53/78/569985378.db2.gz	UTAJGWKOAYSBJG-PXNMLYILSA-N	-1	0	497.754	5.388	40	0		JKABRM
O=C([O-])C(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)Sc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000408635041	569985530	/nfs/dbraw/zinc/98/55/30/569985530.db2.gz	XCUBSPFAUMKGML-YVLHZVERSA-N	-1	0	492.771	6.910	40	0		JKABRM
O=C([O-])/C(=C/c1ccccc1OCc1ccccc1Cl)Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408635324	569985659	/nfs/dbraw/zinc/98/56/59/569985659.db2.gz	ZGWCIVWPZJCFBM-BKUYFWCQSA-N	-1	0	499.375	6.840	40	0		JKABRM
CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])ccc1OCc1ccc(F)cc1	ZINC000408635223	569985688	/nfs/dbraw/zinc/98/56/88/569985688.db2.gz	YLOIMSBKDIYKAD-UCQKPKSFSA-N	-1	0	464.518	5.898	40	0		JKABRM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000408635593	569985956	/nfs/dbraw/zinc/98/59/56/569985956.db2.gz	FNMJPIXEGPIAJY-UHFFFAOYSA-N	-1	0	478.492	5.466	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)Cc2ccccc2)ccc1Cl	ZINC000225333088	569990841	/nfs/dbraw/zinc/99/08/41/569990841.db2.gz	HOARXOUZHJKUBJ-UHFFFAOYSA-N	-1	0	456.995	5.200	40	0		JKABRM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2csc(-c3ccncc3)n2)cc1	ZINC000225335771	569991024	/nfs/dbraw/zinc/99/10/24/569991024.db2.gz	JYJQMGPDVPFKCW-UHFFFAOYSA-N	-1	0	457.964	5.335	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000225352618	569992369	/nfs/dbraw/zinc/99/23/69/569992369.db2.gz	FARJJQSECGTHHJ-IZZNHLLZSA-N	-1	0	498.608	5.535	40	0		JKABRM
CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000225355233	569992587	/nfs/dbraw/zinc/99/25/87/569992587.db2.gz	XPBYSLBFEKFSII-IZZNHLLZSA-N	-1	0	499.592	6.004	40	0		JKABRM
COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc([N-]S(=O)(=O)c3cccs3)cc1)CC2=O	ZINC000225382616	569994127	/nfs/dbraw/zinc/99/41/27/569994127.db2.gz	DJRISQIUARIKPV-GOSISDBHSA-N	-1	0	494.594	5.075	40	0		JKABRM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)ccc1Cl	ZINC000408651534	569994422	/nfs/dbraw/zinc/99/44/22/569994422.db2.gz	GQYOAZPCDIADJK-SCAKWATOSA-N	-1	0	498.749	5.136	40	0		JKABRM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3cccc(OC)c3)ccc21	ZINC000225405591	569995253	/nfs/dbraw/zinc/99/52/53/569995253.db2.gz	JYLSUJYFLSBGDO-UHFFFAOYSA-N	-1	0	486.977	5.241	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccccc4)s3)ccc2Cl)cc1C	ZINC000225510417	570001071	/nfs/dbraw/zinc/00/10/71/570001071.db2.gz	IUCVFJDECJBWNV-UHFFFAOYSA-N	-1	0	499.017	5.528	40	0		JKABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccccc2)s1)c1ccccc1	ZINC000225592969	570008307	/nfs/dbraw/zinc/00/83/07/570008307.db2.gz	MZGVSNDIWBZDKE-UHFFFAOYSA-N	-1	0	486.962	5.037	40	0		JKABRM
COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1	ZINC000225607159	570009000	/nfs/dbraw/zinc/00/90/00/570009000.db2.gz	CGLNGJXWVOYPPF-UHFFFAOYSA-N	-1	0	469.946	6.104	40	0		JKABRM
CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)c1ccc(OC)c(C)c1	ZINC000225638079	570011432	/nfs/dbraw/zinc/01/14/32/570011432.db2.gz	HNFHAJCZEIKQMM-NRFANRHFSA-N	-1	0	472.994	5.339	40	0		JKABRM
CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000408679169	570011621	/nfs/dbraw/zinc/01/16/21/570011621.db2.gz	IURNQQPLGZWARC-UHFFFAOYSA-N	-1	0	456.589	5.169	40	0		JKABRM
CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1	ZINC000408681870	570012767	/nfs/dbraw/zinc/01/27/67/570012767.db2.gz	UTARXFUFPXNLMY-QFIPXVFZSA-N	-1	0	488.993	5.254	40	0		JKABRM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3OC)cc2sc1=O	ZINC000225697117	570015689	/nfs/dbraw/zinc/01/56/89/570015689.db2.gz	NMNGUHCGTBZZFS-UHFFFAOYSA-N	-1	0	490.990	5.338	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)c(OC)c1	ZINC000408693208	570015839	/nfs/dbraw/zinc/01/58/39/570015839.db2.gz	MTQNGBKRONLDLG-UHFFFAOYSA-N	-1	0	486.615	5.257	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C(C)C	ZINC000408694186	570016784	/nfs/dbraw/zinc/01/67/84/570016784.db2.gz	FBLZEBDKKWFCRS-GOSISDBHSA-N	-1	0	452.576	5.110	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC(C)(C)Cc3ccccc3)ccc2Cl)c1	ZINC000225788006	570021725	/nfs/dbraw/zinc/02/17/25/570021725.db2.gz	DYOQEQURAIMTQU-UHFFFAOYSA-N	-1	0	471.022	5.509	40	0		JKABRM
CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225801208	570022345	/nfs/dbraw/zinc/02/23/45/570022345.db2.gz	XRNZJMGFVVSPLI-UHFFFAOYSA-N	-1	0	477.032	5.287	40	0		JKABRM
CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225807158	570022719	/nfs/dbraw/zinc/02/27/19/570022719.db2.gz	KKMLNRGDVPBNED-UHFFFAOYSA-N	-1	0	489.018	5.353	40	0		JKABRM
O=C([O-])[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1cccc(Br)c1	ZINC000408721396	570026873	/nfs/dbraw/zinc/02/68/73/570026873.db2.gz	GSJIRFHZTWFMDW-NEWJYFPISA-N	-1	0	476.370	5.842	40	0		JKABRM
O=C1S/C(=C\c2cc(Cl)cc(Br)c2[O-])C(=O)N1c1ccc(Cl)c(Cl)c1	ZINC000408725487	570027998	/nfs/dbraw/zinc/02/79/98/570027998.db2.gz	KRUKAXXERJZQKQ-PQMHYQBVSA-N	-1	0	479.566	6.356	40	0		JKABRM
O=c1[nH]c(-c2cc(Br)cc(Br)c2[O-])nc2sc3c(c21)CCCC3	ZINC000408735224	570030079	/nfs/dbraw/zinc/03/00/79/570030079.db2.gz	OTGORNHNCIXZQS-UHFFFAOYSA-N	-1	0	456.159	5.173	40	0		JKABRM
O=c1[nH]c(-c2cc(Br)c([O-])c(Br)c2)nc2sc3c(c21)CCCC3	ZINC000408735640	570030228	/nfs/dbraw/zinc/03/02/28/570030228.db2.gz	VLDZFBSDGHJODL-UHFFFAOYSA-N	-1	0	456.159	5.173	40	0		JKABRM
O=C([O-])c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1	ZINC000408748438	570033245	/nfs/dbraw/zinc/03/32/45/570033245.db2.gz	AIAKJMARRPBTKM-UHFFFAOYSA-N	-1	0	489.405	6.846	40	0		JKABRM
Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1	ZINC000408749565	570033692	/nfs/dbraw/zinc/03/36/92/570033692.db2.gz	HPKWJJBGCPLJEA-UHFFFAOYSA-N	-1	0	477.567	5.286	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)c(C)c1	ZINC000408749821	570033796	/nfs/dbraw/zinc/03/37/96/570033796.db2.gz	JCLIPMRRULUYOK-MSOLQXFVSA-N	-1	0	497.642	5.473	40	0		JKABRM
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1	ZINC000408749944	570033847	/nfs/dbraw/zinc/03/38/47/570033847.db2.gz	KALRIJRYNQORJY-ZWKOTPCHSA-N	-1	0	483.615	5.165	40	0		JKABRM
COc1ccc(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)[O-])cc3s2)cc1	ZINC000408750199	570033895	/nfs/dbraw/zinc/03/38/95/570033895.db2.gz	LLNNOSIPBVVBQI-QZTJIDSGSA-N	-1	0	456.589	5.427	40	0		JKABRM
O=C([O-])c1ccc(CSc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)cc1	ZINC000408750345	570033956	/nfs/dbraw/zinc/03/39/56/570033956.db2.gz	LREBPZOTRKAHIM-UHFFFAOYSA-N	-1	0	454.960	6.193	40	0		JKABRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1	ZINC000408750793	570034095	/nfs/dbraw/zinc/03/40/95/570034095.db2.gz	RVDDUVPNQHWYTJ-DLBZAZTESA-N	-1	0	454.573	5.101	40	0		JKABRM
Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)[O-])cc3s2)c1	ZINC000408751025	570034309	/nfs/dbraw/zinc/03/43/09/570034309.db2.gz	VMSBYLGZMOPGIM-ZWKOTPCHSA-N	-1	0	483.615	5.165	40	0		JKABRM
CCOc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccccc1Cl	ZINC000226360913	570037676	/nfs/dbraw/zinc/03/76/76/570037676.db2.gz	HZUFCBOXQVHTPN-BQYQJAHWSA-N	-1	0	458.679	5.020	40	0		JKABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)cc(Br)c3[O-])S2)cc1	ZINC000408768609	570038437	/nfs/dbraw/zinc/03/84/37/570038437.db2.gz	YWTGPBBQKXLONU-CQYSBYMNSA-N	-1	0	484.213	5.079	40	0		JKABRM
COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1C(=O)[O-]	ZINC000226857051	570039062	/nfs/dbraw/zinc/03/90/62/570039062.db2.gz	LDHWVJCTKURHCH-UHFFFAOYSA-N	-1	0	468.314	5.293	40	0		JKABRM
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1	ZINC000408796081	570044483	/nfs/dbraw/zinc/04/44/83/570044483.db2.gz	DHZYDTYYXJUZNF-UHFFFAOYSA-N	-1	0	469.926	5.378	40	0		JKABRM
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)S1	ZINC000408806407	570047769	/nfs/dbraw/zinc/04/77/69/570047769.db2.gz	ARVYUVLNTHLCFP-UHFFFAOYSA-N	-1	0	474.345	6.023	40	0		JKABRM
Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1	ZINC000408808565	570048440	/nfs/dbraw/zinc/04/84/40/570048440.db2.gz	QGFKFBIVBDYYIA-UHFFFAOYSA-N	-1	0	474.345	6.023	40	0		JKABRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1Nc1ccccc1	ZINC000408813715	570049744	/nfs/dbraw/zinc/04/97/44/570049744.db2.gz	UYEOOUKUMJBLFP-CLFKFXSOSA-N	-1	0	487.601	6.699	40	0		JKABRM
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1Nc1ccccc1	ZINC000408813720	570049807	/nfs/dbraw/zinc/04/98/07/570049807.db2.gz	UYEOOUKUMJBLFP-IVTWHQKDSA-N	-1	0	487.601	6.699	40	0		JKABRM
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408815101	570050253	/nfs/dbraw/zinc/05/02/53/570050253.db2.gz	UIZMXLZREFMRAT-BKUYFWCQSA-N	-1	0	495.940	5.867	40	0		JKABRM
C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408815687	570050360	/nfs/dbraw/zinc/05/03/60/570050360.db2.gz	XWLRQZLSHXMAQW-CLFKFXSOSA-N	-1	0	487.601	6.699	40	0		JKABRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1Nc1ccccc1	ZINC000408816152	570050551	/nfs/dbraw/zinc/05/05/51/570050551.db2.gz	XWLRQZLSHXMAQW-NDDKWJIQSA-N	-1	0	487.601	6.699	40	0		JKABRM
C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1Nc1ccccc1	ZINC000408817529	570050950	/nfs/dbraw/zinc/05/09/50/570050950.db2.gz	VTPMLNSXVATPCE-SUQVUWTNSA-N	-1	0	451.568	5.204	40	0		JKABRM
C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCCC(=O)[O-])cc2)SC1Nc1ccccc1	ZINC000408819256	570051493	/nfs/dbraw/zinc/05/14/93/570051493.db2.gz	YUMQYFPJVXYNQO-QMJJWYKPSA-N	-1	0	465.595	5.594	40	0		JKABRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C	ZINC000242688593	570054057	/nfs/dbraw/zinc/05/40/57/570054057.db2.gz	VUCXSJQWKDYYHQ-UJDHZHLJSA-N	-1	0	494.672	6.551	40	0		JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C	ZINC000245190598	570054681	/nfs/dbraw/zinc/05/46/81/570054681.db2.gz	WCGUUGGRBIKTOS-ZAXFWRBJSA-N	-1	0	456.711	7.090	40	0		JKABRM
Cc1ccc(-c2nc(Nc3ccc(I)cc3)sc2CC(=O)[O-])cc1C	ZINC000408888130	570064781	/nfs/dbraw/zinc/06/47/81/570064781.db2.gz	XDAGBCGPYRJUFV-UHFFFAOYSA-N	-1	0	464.328	5.402	40	0		JKABRM
COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000408901931	570068962	/nfs/dbraw/zinc/06/89/62/570068962.db2.gz	JAAVKVYPQQJGOY-FYJGNVAPSA-N	-1	0	495.940	5.867	40	0		JKABRM
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]43C)[C@@H]2C1	ZINC000248328630	570077576	/nfs/dbraw/zinc/07/75/76/570077576.db2.gz	BZXULBWGROURAF-DTVRVQMHSA-N	-1	0	456.711	7.234	40	0		JKABRM
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]5CC[C@@]43C)[C@H]2C1	ZINC000248328632	570077592	/nfs/dbraw/zinc/07/75/92/570077592.db2.gz	BZXULBWGROURAF-ZWWLJMGGSA-N	-1	0	456.711	7.234	40	0		JKABRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2sc3ccccc3c2Cl)cc1	ZINC000408945170	570083388	/nfs/dbraw/zinc/08/33/88/570083388.db2.gz	KIOUITIFRRVMDN-UHFFFAOYSA-N	-1	0	454.935	5.433	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1	ZINC000408959881	570085340	/nfs/dbraw/zinc/08/53/40/570085340.db2.gz	HJFGCRLXYFXXAO-XKZIYDEJSA-N	-1	0	479.941	5.854	40	0		JKABRM
Cc1ccc2c(Cl)c(C(=O)Nn3c(CCC(=O)[O-])ccc3-c3ccc(F)cc3)sc2c1	ZINC000408969489	570088507	/nfs/dbraw/zinc/08/85/07/570088507.db2.gz	ONWJWAUPELMWHZ-UHFFFAOYSA-N	-1	0	456.926	5.872	40	0		JKABRM
O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1sc2cc(Cl)ccc2c1Cl	ZINC000408971507	570088859	/nfs/dbraw/zinc/08/88/59/570088859.db2.gz	HDHYAQKOERUMHN-UHFFFAOYSA-N	-1	0	459.354	6.078	40	0		JKABRM
O=C1N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)Nc2c1sc(=S)n2-c1ccccc1	ZINC000408975453	570089690	/nfs/dbraw/zinc/08/96/90/570089690.db2.gz	KMZXTNVVUBPRCK-NRFANRHFSA-N	-1	0	480.014	6.355	40	0		JKABRM
O=c1[nH]c(-c2cc(Br)c([O-])c(Br)c2)nc2sc3c(c21)CCCCC3	ZINC000408986699	570092525	/nfs/dbraw/zinc/09/25/25/570092525.db2.gz	DAJKDSJTPMQLLA-UHFFFAOYSA-N	-1	0	470.186	5.563	40	0		JKABRM
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]21	ZINC000408994438	570095111	/nfs/dbraw/zinc/09/51/11/570095111.db2.gz	HPFCNJAZHCAFKD-PMOQBDJRSA-N	-1	0	450.332	5.627	40	0		JKABRM
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2c3ccccc3C[C@@H]21	ZINC000408994443	570095112	/nfs/dbraw/zinc/09/51/12/570095112.db2.gz	HPFCNJAZHCAFKD-VJBMBRPKSA-N	-1	0	450.332	5.627	40	0		JKABRM
O=C([O-])C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1	ZINC000253387875	570095393	/nfs/dbraw/zinc/09/53/93/570095393.db2.gz	GXALXAKNHIROPE-QAQDUYKDSA-N	-1	0	455.480	6.655	40	0	investigational	JKABRM
O=C([O-])c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCCC5)o2)cc1Cl	ZINC000408999782	570096066	/nfs/dbraw/zinc/09/60/66/570096066.db2.gz	SARMQKYSNYPCDC-UHFFFAOYSA-N	-1	0	454.935	6.335	40	0		JKABRM
O=C([O-])c1cccc2c1N[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@@H]1Cc3ccccc3[C@H]21	ZINC000409000994	570096313	/nfs/dbraw/zinc/09/63/13/570096313.db2.gz	ZOUZMWMEIJJIQY-JCYYIGJDSA-N	-1	0	481.979	7.088	40	0		JKABRM
CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O	ZINC000409010047	570099227	/nfs/dbraw/zinc/09/92/27/570099227.db2.gz	DCECYRQXSUKFDB-OTGIAGGSSA-N	-1	0	490.375	5.561	40	0		JKABRM
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1	ZINC000409020042	570102624	/nfs/dbraw/zinc/10/26/24/570102624.db2.gz	LQGAZEQIRIBLQQ-UDWIEESQSA-N	-1	0	483.307	5.368	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CCC(=O)[O-])[C@@]1(C)CC3	ZINC000253530334	570102848	/nfs/dbraw/zinc/10/28/48/570102848.db2.gz	OBBXOFBLEKETGL-FDIQTBCWSA-N	-1	0	458.683	7.168	40	0	biogenic	JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@H](C)CCC(=O)[O-])[C@@]1(C)CC3	ZINC000253530337	570102857	/nfs/dbraw/zinc/10/28/57/570102857.db2.gz	OBBXOFBLEKETGL-YIUSTVIHSA-N	-1	0	458.683	7.168	40	0	biogenic	JKABRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C	ZINC000254697458	570106094	/nfs/dbraw/zinc/10/60/94/570106094.db2.gz	WCGUUGGRBIKTOS-BVLARLJMSA-N	-1	0	456.711	7.090	40	0	endogenous,in-man	JKABRM
CCC[C@H]1CC[C@H](c2ccc([C@H]3CCCC[C@]3(C(=O)[O-])[C@H]3CC[C@H](CCC)CC3)cc2)CC1	ZINC000255003871	570106364	/nfs/dbraw/zinc/10/63/64/570106364.db2.gz	DEFWTKBSRYXQMS-UIXZRDAPSA-N	-1	0	452.723	9.096	40	0		JKABRM
O=C([O-])c1cccc(Cl)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1	ZINC000257199667	570107531	/nfs/dbraw/zinc/10/75/31/570107531.db2.gz	AAJTYGQNUKADPH-UHFFFAOYSA-N	-1	0	480.923	5.309	40	0		JKABRM
Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)[O-])c(CCCN(C)c2ccccc2)n1	ZINC000257201910	570108347	/nfs/dbraw/zinc/10/83/47/570108347.db2.gz	AJPPDNPMDIFZNA-UHFFFAOYSA-N	-1	0	462.594	5.167	40	0		JKABRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1Oc1ccc(Cl)cc1	ZINC000257202801	570108622	/nfs/dbraw/zinc/10/86/22/570108622.db2.gz	ANMFGVONWKWQIX-UHFFFAOYSA-N	-1	0	454.306	5.352	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)CCc2ccc3c(c2)C[C@@](C)(Cc2ccccc2F)O3)c1	ZINC000257203287	570108736	/nfs/dbraw/zinc/10/87/36/570108736.db2.gz	APJCCTYYPVQIIK-SSEXGKCCSA-N	-1	0	489.587	5.159	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257206804	570110020	/nfs/dbraw/zinc/11/00/20/570110020.db2.gz	BEXXIYVOAPTEEG-MUUNZHRXSA-N	-1	0	495.978	5.575	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(C)ccc3OCC(=O)[O-])nn2CCc2ccccc2)c1OC	ZINC000257207062	570110025	/nfs/dbraw/zinc/11/00/25/570110025.db2.gz	BGESOAWDHCLNEF-UHFFFAOYSA-N	-1	0	472.541	5.249	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257208761	570110552	/nfs/dbraw/zinc/11/05/52/570110552.db2.gz	BNMRHOOJOWCRTJ-SSEXGKCCSA-N	-1	0	471.597	5.516	40	0		JKABRM
CCCOc1cccc(-c2cc(-c3cc(C(=O)[O-])ccc3OCCC)nn2CCc2ccccc2)c1	ZINC000257209556	570110856	/nfs/dbraw/zinc/11/08/56/570110856.db2.gz	BQVZDNHQROHXIF-UHFFFAOYSA-N	-1	0	484.596	6.736	40	0		JKABRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2OCc2cccc(Cl)c2)cc1	ZINC000257210432	570111246	/nfs/dbraw/zinc/11/12/46/570111246.db2.gz	BUOKEWSVIJDRLE-UHFFFAOYSA-N	-1	0	457.979	5.335	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1	ZINC000257212309	570111680	/nfs/dbraw/zinc/11/16/80/570111680.db2.gz	CCTRFMGALGALDS-JOCHJYFZSA-N	-1	0	455.341	5.655	40	0		JKABRM
C[C@H](c1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000257217921	570113493	/nfs/dbraw/zinc/11/34/93/570113493.db2.gz	DBCPXPWZGWXOFJ-MRXNPFEDSA-N	-1	0	458.341	5.860	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)N(CCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257219077	570113901	/nfs/dbraw/zinc/11/39/01/570113901.db2.gz	DFMZGPOEKTXKLL-YTTGMZPUSA-N	-1	0	499.651	5.835	40	0		JKABRM
O=C1S/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)N1c1ccccc1Cl	ZINC000409061149	570114371	/nfs/dbraw/zinc/11/43/71/570114371.db2.gz	WGEHWRZMRFIBAE-QPEQYQDCSA-N	-1	0	489.572	5.812	40	0		JKABRM
O=C([O-])COc1cc2c(cc1-c1cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n1)OCO2	ZINC000257223632	570115105	/nfs/dbraw/zinc/11/51/05/570115105.db2.gz	DYGAYEYRYZNRIK-UHFFFAOYSA-N	-1	0	476.916	5.305	40	0		JKABRM
O=C([O-])c1ccc([C@@H]2CCCN2C(=O)Cc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1	ZINC000257227221	570116337	/nfs/dbraw/zinc/11/63/37/570116337.db2.gz	FOEKUKDAIHYTOQ-NRFANRHFSA-N	-1	0	455.341	5.660	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cc(-c3ccccc3)ccc2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257232111	570117630	/nfs/dbraw/zinc/11/76/30/570117630.db2.gz	GJLXDZXRAWUOOY-ZRRKCSAHSA-N	-1	0	477.532	5.444	40	0		JKABRM
CC(C)(C)c1ccc(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c(OCC(=O)[O-])c1	ZINC000257235559	570118699	/nfs/dbraw/zinc/11/86/99/570118699.db2.gz	GYIWEXBJNZVNQB-UHFFFAOYSA-N	-1	0	489.015	6.874	40	0		JKABRM
C[C@]1(Cc2ccccc2)Cc2cc(C(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257244183	570121268	/nfs/dbraw/zinc/12/12/68/570121268.db2.gz	IKGAKQILBXOPLO-MHZLTWQESA-N	-1	0	463.961	5.046	40	0		JKABRM
O=C([O-])c1sc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1	ZINC000257244925	570121577	/nfs/dbraw/zinc/12/15/77/570121577.db2.gz	INJFYRVENAYKRT-FQEVSTJZSA-N	-1	0	488.968	5.162	40	0		JKABRM
COc1ccccc1CN(Cc1c[nH]c2ccccc12)C(=O)COc1c(Cl)cccc1C(=O)[O-]	ZINC000257246215	570122006	/nfs/dbraw/zinc/12/20/06/570122006.db2.gz	ITCRBSPWUKDBDP-UHFFFAOYSA-N	-1	0	478.932	5.136	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCc3ccccc3F)CC(=O)[O-])ccc2O1	ZINC000257248186	570122663	/nfs/dbraw/zinc/12/26/63/570122663.db2.gz	JCOBQKHXUNTIQQ-HHHXNRCGSA-N	-1	0	481.951	5.185	40	0		JKABRM
COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257255913	570124951	/nfs/dbraw/zinc/12/49/51/570124951.db2.gz	KJJUQIBVKJNOLI-MHZLTWQESA-N	-1	0	479.960	5.012	40	0		JKABRM
COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257255912	570124999	/nfs/dbraw/zinc/12/49/99/570124999.db2.gz	KJJUQIBVKJNOLI-HHHXNRCGSA-N	-1	0	479.960	5.012	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(=O)[O-])ccc2OCC(C)C)O[C@H](c2ccc(Cl)cc2)C1	ZINC000257257716	570125560	/nfs/dbraw/zinc/12/55/60/570125560.db2.gz	KQUXWFGKFNRXTF-ARNLJNQMSA-N	-1	0	459.970	5.561	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cccc(Br)c2OCC(=O)[O-])O[C@H](c2ccc(Cl)cc2)C1	ZINC000257259225	570125919	/nfs/dbraw/zinc/12/59/19/570125919.db2.gz	KXJYXRCTXBKJIU-JQVVWYNYSA-N	-1	0	496.785	5.054	40	0		JKABRM
CCCCOc1ccc(CC(=O)[O-])cc1-c1cc(-c2ccccc2OCC)n(C[C@H](O)CC)n1	ZINC000257258988	570125974	/nfs/dbraw/zinc/12/59/74/570125974.db2.gz	KWJJXVGWBOMSNS-HXUWFJFHSA-N	-1	0	466.578	5.193	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1Cl	ZINC000257261359	570126768	/nfs/dbraw/zinc/12/67/68/570126768.db2.gz	LGZXZWHWDUEVDX-UHFFFAOYSA-N	-1	0	497.378	5.823	40	0		JKABRM
O=C([O-])c1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1	ZINC000409096495	570126823	/nfs/dbraw/zinc/12/68/23/570126823.db2.gz	KHNKVUYRCABLCJ-MFKUBSTISA-N	-1	0	496.494	5.349	40	0		JKABRM
CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc1OC2(C)C	ZINC000257261668	570126863	/nfs/dbraw/zinc/12/68/63/570126863.db2.gz	LIIYICFJTNEFJF-XRODADMRSA-N	-1	0	499.673	5.910	40	0		JKABRM
C[C@@]1(Cc2ccccc2)CCc2cc(C(=O)[N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc2O1	ZINC000257262204	570127047	/nfs/dbraw/zinc/12/70/47/570127047.db2.gz	LKOVEAIDIRWDBN-DEOSSOPVSA-N	-1	0	489.515	5.151	40	0		JKABRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2Cl)c1	ZINC000257263546	570127430	/nfs/dbraw/zinc/12/74/30/570127430.db2.gz	LQLBXNDUJZSBBC-UHFFFAOYSA-N	-1	0	492.959	5.178	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2ccc(C(C)(C)C)cc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257264932	570127947	/nfs/dbraw/zinc/12/79/47/570127947.db2.gz	LWORHNAFUZPFFB-ZEVJAHDQSA-N	-1	0	473.997	5.589	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3cccc(F)c3)ccc2O1	ZINC000257266269	570128339	/nfs/dbraw/zinc/12/83/39/570128339.db2.gz	MCGAORAGTULMSB-AREMUKBSSA-N	-1	0	467.924	5.142	40	0		JKABRM
O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)Nc1nc(-c2ccc(F)cc2)cs1	ZINC000257267610	570128802	/nfs/dbraw/zinc/12/88/02/570128802.db2.gz	MIAYOGWZRNFFGL-KRWDZBQOSA-N	-1	0	495.601	5.508	40	0		JKABRM
C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN(C(=O)Cc4ccc(Cl)cc4)C3)C[C@H]21	ZINC000257268677	570129048	/nfs/dbraw/zinc/12/90/48/570129048.db2.gz	MMSIGHJRFIJKAO-XHEWTTNRSA-N	-1	0	498.019	5.285	40	0		JKABRM
C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN3C(=O)Cc3ccc4ccccc4c3)C[C@H]21	ZINC000257268533	570129161	/nfs/dbraw/zinc/12/91/61/570129161.db2.gz	MMDHVZSJOXZHIL-CNKGAEGWSA-N	-1	0	499.607	5.537	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3ccccc3)ccc2O1	ZINC000257270528	570129677	/nfs/dbraw/zinc/12/96/77/570129677.db2.gz	MUQCAAJPWDPXPM-NDEPHWFRSA-N	-1	0	495.978	5.575	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3ccccc3)ccc2O1	ZINC000257270527	570129713	/nfs/dbraw/zinc/12/97/13/570129713.db2.gz	MUQCAAJPWDPXPM-MUUNZHRXSA-N	-1	0	495.978	5.575	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CC(=O)[O-])Cc3ccccc3Cl)ccc2O1	ZINC000257271589	570130192	/nfs/dbraw/zinc/13/01/92/570130192.db2.gz	MYYFZLXFPSCLAW-SANMLTNESA-N	-1	0	484.379	5.657	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)c(F)c2)Cc2cc(C(=O)N(CCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257273557	570130736	/nfs/dbraw/zinc/13/07/36/570130736.db2.gz	NHCWLOSTSWDUAT-HHHXNRCGSA-N	-1	0	481.951	5.185	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cccc(-c3ccccc3)c2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257273502	570130789	/nfs/dbraw/zinc/13/07/89/570130789.db2.gz	NGVTXVJGUPEKIA-OARDWFSCSA-N	-1	0	493.987	5.958	40	0		JKABRM
C[C@@]1(Cc2ccc(F)cc2)Cc2cc(C(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])ccc2O1	ZINC000257275513	570131301	/nfs/dbraw/zinc/13/13/01/570131301.db2.gz	NPRUDDPTXKSDAY-HHHXNRCGSA-N	-1	0	481.951	5.185	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1	ZINC000257277575	570131907	/nfs/dbraw/zinc/13/19/07/570131907.db2.gz	NYMZILYNDLAVMZ-UHFFFAOYSA-N	-1	0	460.961	6.796	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Br)cc2)nc1CCc1cccc(F)c1	ZINC000257277727	570132011	/nfs/dbraw/zinc/13/20/11/570132011.db2.gz	NZDLQCZAFJRCTP-OAQYLSRUSA-N	-1	0	470.342	5.203	40	0		JKABRM
Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409110673	570132066	/nfs/dbraw/zinc/13/20/66/570132066.db2.gz	FUZASJHLEZGSBM-UHFFFAOYSA-N	-1	0	460.755	6.300	40	0		JKABRM
O=C([O-])c1cnc(N2CCC[C@@H]2c2ccc(Br)cc2)nc1CCc1ccccc1	ZINC000257280789	570132855	/nfs/dbraw/zinc/13/28/55/570132855.db2.gz	OMLPCDKNCLAJTG-OAQYLSRUSA-N	-1	0	452.352	5.064	40	0		JKABRM
Cn1cc(CN(CCc2ccccc2)C(=O)COc2ccc(Cl)cc2C(=O)[O-])c2ccccc21	ZINC000257282924	570133601	/nfs/dbraw/zinc/13/36/01/570133601.db2.gz	OVWZIRLEFNMVDN-UHFFFAOYSA-N	-1	0	476.960	5.180	40	0		JKABRM
CC(=O)N[C@@]1(C)C[C@H](c2cccc(Br)c2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257283416	570133702	/nfs/dbraw/zinc/13/37/02/570133702.db2.gz	OYFGOKWFKXGQGV-NNMXDRDESA-N	-1	0	496.785	5.054	40	0		JKABRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CC[C@@](C)(Cc2ccccc2)O3)cc1	ZINC000257287154	570134762	/nfs/dbraw/zinc/13/47/62/570134762.db2.gz	POTDPWAURLQIEV-NDEPHWFRSA-N	-1	0	477.626	5.429	40	0		JKABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2cccc3cccc(Cl)c32)c(C(=O)OCC)c1C	ZINC000409118179	570134828	/nfs/dbraw/zinc/13/48/28/570134828.db2.gz	NJMDCWCIPRAAAL-UHFFFAOYSA-N	-1	0	481.979	5.017	40	0		JKABRM
Cc1cc(OCc2nc(NCCOc3ccccc3C(C)C)ncc2C(=O)[O-])cc(C)c1Cl	ZINC000257291422	570136007	/nfs/dbraw/zinc/13/60/07/570136007.db2.gz	QGWWFFSKOGHLHG-UHFFFAOYSA-N	-1	0	469.969	5.638	40	0		JKABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(OCc2ccc(Cl)cc2)c1	ZINC000257292436	570136209	/nfs/dbraw/zinc/13/62/09/570136209.db2.gz	QLLVSZTWZGAQBB-UHFFFAOYSA-N	-1	0	483.895	5.365	40	0		JKABRM
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3C(=O)[O-])cc2c1	ZINC000257293519	570136473	/nfs/dbraw/zinc/13/64/73/570136473.db2.gz	QPVLJNIGBKZWTE-UHFFFAOYSA-N	-1	0	490.943	5.208	40	0		JKABRM
C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)N(CCc3ccccc3)CC(=O)[O-])ccc2O1	ZINC000257293634	570136570	/nfs/dbraw/zinc/13/65/70/570136570.db2.gz	QQLYPVJAVASNIA-GDLZYMKVSA-N	-1	0	492.015	5.365	40	0		JKABRM
O=C([O-])COc1ccc(Br)cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1	ZINC000257293912	570136616	/nfs/dbraw/zinc/13/66/16/570136616.db2.gz	QRRKCHDURWWZGO-UHFFFAOYSA-N	-1	0	495.348	5.825	40	0		JKABRM
COc1ccc(C(=O)[O-])c(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)c2ccccc2)c1	ZINC000257295441	570137027	/nfs/dbraw/zinc/13/70/27/570137027.db2.gz	QYHHSJHURAONBZ-KRWDZBQOSA-N	-1	0	453.922	5.216	40	0		JKABRM
Cc1cc(C)c(OCC(=O)[O-])c(-c2cc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3)n2)c1	ZINC000257298960	570138011	/nfs/dbraw/zinc/13/80/11/570138011.db2.gz	ROBSAENDSYJQNP-UHFFFAOYSA-N	-1	0	450.897	6.079	40	0		JKABRM
CCCOc1ccc(CCC(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1	ZINC000257299358	570138267	/nfs/dbraw/zinc/13/82/67/570138267.db2.gz	RPRZTQLPMXQLTO-UHFFFAOYSA-N	-1	0	495.406	7.319	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCc4ccc(F)cc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257300317	570138471	/nfs/dbraw/zinc/13/84/71/570138471.db2.gz	RTUYODKPHVIYDF-PMERELPUSA-N	-1	0	489.587	5.655	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCc4ccc(F)cc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257300318	570138481	/nfs/dbraw/zinc/13/84/81/570138481.db2.gz	RTUYODKPHVIYDF-SSEXGKCCSA-N	-1	0	489.587	5.655	40	0		JKABRM
CC(=O)N[C@@H]1C[C@H](c2cc(-c3ccc(C(=O)[O-])cc3)ccc2OCC(C)C)O[C@H](c2ccccc2)C1	ZINC000257301045	570138777	/nfs/dbraw/zinc/13/87/77/570138777.db2.gz	RWTRMQWJIGEIGM-OWPQXHQJSA-N	-1	0	487.596	6.184	40	0		JKABRM
CC(C)Cn1nc(-c2cc(Br)ccc2OCC(=O)[O-])cc1-c1ccc(Cl)cc1	ZINC000257303672	570139510	/nfs/dbraw/zinc/13/95/10/570139510.db2.gz	SIEQHEPVBUVQKS-UHFFFAOYSA-N	-1	0	463.759	5.752	40	0		JKABRM
COc1ccccc1CN(C(=O)COc1ccc(C(C)C)cc1C(=O)[O-])[C@H](C)c1ccccc1	ZINC000257304236	570139598	/nfs/dbraw/zinc/13/95/98/570139598.db2.gz	SKRZFVAPPFAFBN-HXUWFJFHSA-N	-1	0	461.558	5.686	40	0		JKABRM
CC(C)(C)c1ccc(OCC(=O)[O-])c(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c1	ZINC000257304916	570139849	/nfs/dbraw/zinc/13/98/49/570139849.db2.gz	SNQLUTMWNFRCEM-UHFFFAOYSA-N	-1	0	472.560	6.360	40	0		JKABRM
Cc1ccc(CN(CC(=O)[O-])C(=O)CCc2ccc3c(c2)C[C@@](C)(Cc2ccc(Cl)cc2)O3)cc1	ZINC000257305610	570139968	/nfs/dbraw/zinc/13/99/68/570139968.db2.gz	SQTJZPIQRWNKEU-GDLZYMKVSA-N	-1	0	492.015	5.631	40	0		JKABRM
O=C([O-])CCN(CCc1cccc(Cl)c1)C(=O)c1cccc(OCc2ccc(F)cc2)c1	ZINC000257305708	570139992	/nfs/dbraw/zinc/13/99/92/570139992.db2.gz	SRDAHXPVKNDXKR-UHFFFAOYSA-N	-1	0	455.913	5.218	40	0		JKABRM
C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN(C(=O)CCC4CCCCC4)C3)C[C@H]21	ZINC000257306206	570140173	/nfs/dbraw/zinc/14/01/73/570140173.db2.gz	STHQGUQAUHJMNC-GSDPDGKRSA-N	-1	0	483.649	5.749	40	0		JKABRM
C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)N(CC(=O)[O-])Cc3c(F)cccc3Cl)ccc2O1	ZINC000257309354	570141198	/nfs/dbraw/zinc/14/11/98/570141198.db2.gz	UAPYREMRHZQQFS-SANMLTNESA-N	-1	0	485.914	5.282	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2ccc(OC)cc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257309236	570141200	/nfs/dbraw/zinc/14/12/00/570141200.db2.gz	UADMZKVPNUOFDP-UHFFFAOYSA-N	-1	0	472.541	5.331	40	0		JKABRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1ccccc1OCc1ccc(Br)cc1	ZINC000257310386	570141588	/nfs/dbraw/zinc/14/15/88/570141588.db2.gz	UEWFYHZUYYBEQZ-UHFFFAOYSA-N	-1	0	494.794	5.109	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O	ZINC000409134852	570141789	/nfs/dbraw/zinc/14/17/89/570141789.db2.gz	OJTRPGCHKVXAKI-RGVLZGJSSA-N	-1	0	453.903	5.193	40	0		JKABRM
COc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2Cl)cc2c1O[C@](C)(Cc1ccccc1F)C2	ZINC000257312159	570142099	/nfs/dbraw/zinc/14/20/99/570142099.db2.gz	UMSOCALNSRTPFJ-HHHXNRCGSA-N	-1	0	497.950	5.151	40	0		JKABRM
O=C([O-])c1cc(Cl)ccc1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1cccc(F)c1	ZINC000257314327	570142825	/nfs/dbraw/zinc/14/28/25/570142825.db2.gz	UWKSAGSCDIOOPF-UHFFFAOYSA-N	-1	0	480.923	5.309	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1	ZINC000409139531	570143864	/nfs/dbraw/zinc/14/38/64/570143864.db2.gz	AWGXSEVNHWSFTQ-HYARGMPZSA-N	-1	0	451.544	5.580	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CC)ccc2OCC(=O)[O-])nn1CCc1ccccc1	ZINC000257318418	570144056	/nfs/dbraw/zinc/14/40/56/570144056.db2.gz	VNVVNFXAPJFSDV-UHFFFAOYSA-N	-1	0	470.569	5.884	40	0		JKABRM
O=C1S/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)N1CC1CCCCC1	ZINC000409139931	570144094	/nfs/dbraw/zinc/14/40/94/570144094.db2.gz	PHDNTLOPZPSQAZ-VGOFMYFVSA-N	-1	0	475.202	5.534	40	0		JKABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)C1=O	ZINC000409140725	570144512	/nfs/dbraw/zinc/14/45/12/570144512.db2.gz	SARUFDDCGFPVKR-RGVLZGJSSA-N	-1	0	498.354	5.302	40	0		JKABRM
CCCCOc1ccc(C(=O)[O-])cc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1	ZINC000257322501	570145190	/nfs/dbraw/zinc/14/51/90/570145190.db2.gz	WGFDJHJRUSHNIX-UHFFFAOYSA-N	-1	0	481.379	7.390	40	0		JKABRM
COc1cccc(-c2cc(-c3cc(C(C)C)ccc3OCC(=O)[O-])nn2CC(C)C)c1OC	ZINC000257323456	570145545	/nfs/dbraw/zinc/14/55/45/570145545.db2.gz	WKFNSLLFQPQJIX-UHFFFAOYSA-N	-1	0	452.551	5.477	40	0		JKABRM
CC(=O)N[C@]1(C)C[C@H](c2cc(C(C)(C)C)ccc2OCC(=O)[O-])O[C@H](c2cccc(Cl)c2)C1	ZINC000257326109	570146289	/nfs/dbraw/zinc/14/62/89/570146289.db2.gz	WVVZTFMKDQFSMI-ZEVJAHDQSA-N	-1	0	473.997	5.589	40	0		JKABRM
Cc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)COc1c(Cl)cccc1C(=O)[O-]	ZINC000257326197	570146403	/nfs/dbraw/zinc/14/64/03/570146403.db2.gz	WWFJGFNXNYPMHW-UHFFFAOYSA-N	-1	0	476.960	5.478	40	0		JKABRM
C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)N(CCC(=O)[O-])CCc3ccccc3)ccc2O1	ZINC000257327163	570146627	/nfs/dbraw/zinc/14/66/27/570146627.db2.gz	XAGKHZWJCGOFNV-NDEPHWFRSA-N	-1	0	477.988	5.436	40	0		JKABRM
Cc1cccc(CCN(CC(=O)[O-])C(=O)c2ccc3c(c2)C[C@](C)(Cc2ccc(Cl)cc2)O3)c1	ZINC000257327295	570146640	/nfs/dbraw/zinc/14/66/40/570146640.db2.gz	XAVVSGPGARBUNX-NDEPHWFRSA-N	-1	0	477.988	5.354	40	0		JKABRM
Cc1ccccc1CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(Cl)cc1)O2	ZINC000257326995	570146676	/nfs/dbraw/zinc/14/66/76/570146676.db2.gz	WZKKJDYMQWYBKV-MUUNZHRXSA-N	-1	0	477.988	5.354	40	0		JKABRM
COc1ccc(CN(Cc2ccc(C(C)C)cc2)C(=O)COc2c(F)cccc2C(=O)[O-])cc1	ZINC000257327718	570146817	/nfs/dbraw/zinc/14/68/17/570146817.db2.gz	XCKBXPFYNWKSFN-UHFFFAOYSA-N	-1	0	465.521	5.264	40	0		JKABRM
C[C@H](c1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1c(Cl)cccc1C(=O)[O-]	ZINC000257329926	570147563	/nfs/dbraw/zinc/14/75/63/570147563.db2.gz	XMAVCFJQKVOTRV-MRXNPFEDSA-N	-1	0	458.341	5.860	40	0		JKABRM
COc1ccc(OC)c([C@@H]2CCCN2c2ncc(C(=O)[O-])c(COc3cc(C)c(Cl)c(C)c3)n2)c1	ZINC000257330801	570147824	/nfs/dbraw/zinc/14/78/24/570147824.db2.gz	XQDBDJKBKUYZEH-QFIPXVFZSA-N	-1	0	497.979	5.383	40	0		JKABRM
Cc1cc(C(C)C)cc(OCC(=O)[O-])c1-c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1	ZINC000257332563	570148330	/nfs/dbraw/zinc/14/83/30/570148330.db2.gz	XXVZTFJULXAHJZ-UHFFFAOYSA-N	-1	0	495.406	7.408	40	0		JKABRM
COc1ccc(-c2cc(C(=O)N(CCc3ccc(Cl)cc3)CC(=O)[O-])c3ccccc3n2)cc1	ZINC000257334415	570148844	/nfs/dbraw/zinc/14/88/44/570148844.db2.gz	YFTVWUYDBFRGLQ-UHFFFAOYSA-N	-1	0	474.944	5.333	40	0		JKABRM
O=C([O-])c1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2)nc1CCCc1ccccc1	ZINC000257334552	570148866	/nfs/dbraw/zinc/14/88/66/570148866.db2.gz	YGKOPNYIHBQRTO-RUZDIDTESA-N	-1	0	478.976	5.351	40	0		JKABRM
C[C@@]1(Cc2ccccc2F)Cc2cc(CC(=O)N(CCc3cccc(Cl)c3)CC(=O)[O-])ccc2O1	ZINC000257334719	570149010	/nfs/dbraw/zinc/14/90/10/570149010.db2.gz	YHCDQGSYRXPPPO-MUUNZHRXSA-N	-1	0	495.978	5.114	40	0		JKABRM
CCOc1ccccc1-c1cc(-c2cc(CCC(=O)[O-])ccc2OCC)nn1Cc1ccccc1	ZINC000257336968	570149465	/nfs/dbraw/zinc/14/94/65/570149465.db2.gz	YQVJEBXWVROAIA-UHFFFAOYSA-N	-1	0	470.569	6.080	40	0		JKABRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1Oc1ccc(Cl)cc1	ZINC000257339850	570150423	/nfs/dbraw/zinc/15/04/23/570150423.db2.gz	ZDMKULPOQOXHPQ-UHFFFAOYSA-N	-1	0	455.841	5.270	40	0		JKABRM
O=C([O-])c1sc([C@H]2CCCN2S(=O)(=O)CCCc2ccccc2)nc1CCCc1ccccc1	ZINC000257339898	570150428	/nfs/dbraw/zinc/15/04/28/570150428.db2.gz	ZDPMJGGBCCPVDI-HSZRJFAPSA-N	-1	0	498.670	5.116	40	0		JKABRM
CC(C)c1ccc(C[C@]2(C)Cc3cc(CC(=O)N(CCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257340758	570150524	/nfs/dbraw/zinc/15/05/24/570150524.db2.gz	ZHKJSWXHJUWCQD-WJOKGBTCSA-N	-1	0	485.624	5.445	40	0		JKABRM
CC(C)c1ccc(C[C@@]2(C)Cc3cc(CC(=O)N(CCc4ccccc4)CC(=O)[O-])ccc3O2)cc1	ZINC000257340757	570150550	/nfs/dbraw/zinc/15/05/50/570150550.db2.gz	ZHKJSWXHJUWCQD-HKBQPEDESA-N	-1	0	485.624	5.445	40	0		JKABRM
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](C)CCC(=O)[O-])[C@]1(C)CC3	ZINC000257347037	570152060	/nfs/dbraw/zinc/15/20/60/570152060.db2.gz	OBBXOFBLEKETGL-NOPXORLHSA-N	-1	0	458.683	7.168	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]43C)[C@H]2C1	ZINC000257511560	570153944	/nfs/dbraw/zinc/15/39/44/570153944.db2.gz	PGOYMURMZNDHNS-URTWKXHDSA-N	-1	0	472.710	6.206	40	0		JKABRM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2C1	ZINC000257511561	570153949	/nfs/dbraw/zinc/15/39/49/570153949.db2.gz	PGOYMURMZNDHNS-WFXBDNRTSA-N	-1	0	472.710	6.206	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3	ZINC000257490154	570153972	/nfs/dbraw/zinc/15/39/72/570153972.db2.gz	NBSBUIQBEPROBM-MRETXTMBSA-N	-1	0	456.711	7.544	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000257394919	570153993	/nfs/dbraw/zinc/15/39/93/570153993.db2.gz	CGPBVNAIDFBRJG-VSVSPNMISA-N	-1	0	456.711	7.400	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@@H](C(=O)[O-])[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000257415567	570154007	/nfs/dbraw/zinc/15/40/07/570154007.db2.gz	FIWGZIBLJWZUEA-ZQNYWJNGSA-N	-1	0	498.748	8.115	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3	ZINC000257490152	570154008	/nfs/dbraw/zinc/15/40/08/570154008.db2.gz	NBSBUIQBEPROBM-BHYXGAGOSA-N	-1	0	456.711	7.544	40	0	endogenous,in-man	JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000257394920	570154019	/nfs/dbraw/zinc/15/40/19/570154019.db2.gz	CGPBVNAIDFBRJG-VTTIMJABSA-N	-1	0	456.711	7.400	40	0	endogenous,in-man	JKABRM
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O	ZINC000409169046	570154304	/nfs/dbraw/zinc/15/43/04/570154304.db2.gz	OKMGCVXJYLFBEL-JAIQZWGSSA-N	-1	0	496.928	5.282	40	0		JKABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	ZINC000409169347	570154456	/nfs/dbraw/zinc/15/44/56/570154456.db2.gz	XQUSETQARLTHNP-GOSISDBHSA-N	-1	0	470.616	5.232	40	0		JKABRM
O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000409172730	570155487	/nfs/dbraw/zinc/15/54/87/570155487.db2.gz	HLNLNSCYDKEITH-UHFFFAOYSA-N	-1	0	488.443	5.123	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2)c(Cl)c1Cl	ZINC000409174497	570156323	/nfs/dbraw/zinc/15/63/23/570156323.db2.gz	UVOKXTFQNQSGIC-UHFFFAOYSA-N	-1	0	454.400	6.095	40	0		JKABRM
Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000409175973	570156968	/nfs/dbraw/zinc/15/69/68/570156968.db2.gz	GMTVPBBJTZCAPD-LJAQVGFWSA-N	-1	0	478.548	5.824	40	0		JKABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)c(OC)c1	ZINC000409180410	570158941	/nfs/dbraw/zinc/15/89/41/570158941.db2.gz	SAIONEWKPFRWJV-CAOOACKPSA-N	-1	0	494.613	5.454	40	0		JKABRM
Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000409180961	570159069	/nfs/dbraw/zinc/15/90/69/570159069.db2.gz	ZRQFIOLWXSGPLB-UHFFFAOYSA-N	-1	0	485.414	5.212	40	0		JKABRM
Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2OCC(=O)[O-])cc1	ZINC000409184653	570160517	/nfs/dbraw/zinc/16/05/17/570160517.db2.gz	YQGQUJTZSWTVLV-LJAQVGFWSA-N	-1	0	478.548	5.824	40	0		JKABRM
O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000409196301	570163598	/nfs/dbraw/zinc/16/35/98/570163598.db2.gz	YQRYKOMKPOHBBM-FYJGNVAPSA-N	-1	0	465.914	5.858	40	0		JKABRM
Cc1nnc(SC(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)[O-])[nH]1	ZINC000409196060	570163600	/nfs/dbraw/zinc/16/36/00/570163600.db2.gz	YNWGQBWILTZKIB-MFOYZWKCSA-N	-1	0	480.771	5.326	40	0		JKABRM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)o2)cc1Cl	ZINC000409209449	570168684	/nfs/dbraw/zinc/16/86/84/570168684.db2.gz	BPYJPVIPIGPSQV-MOSHPQCFSA-N	-1	0	453.903	5.577	40	0		JKABRM
COc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409210551	570169428	/nfs/dbraw/zinc/16/94/28/570169428.db2.gz	JLTCHCRWCXUPAO-CIAFOILYSA-N	-1	0	495.940	5.867	40	0		JKABRM
O=C([O-])c1ccccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)o1	ZINC000409210983	570169625	/nfs/dbraw/zinc/16/96/25/570169625.db2.gz	MNZXTKDTNOIIHE-UCQKPKSFSA-N	-1	0	498.516	5.473	40	0		JKABRM
O=C([O-])c1cccc(Cn2cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1	ZINC000409216815	570172889	/nfs/dbraw/zinc/17/28/89/570172889.db2.gz	OPPVERRCASCRPX-FSJBWODESA-N	-1	0	488.952	6.282	40	0		JKABRM
CC(C)=CCC[C@H](C(=O)[O-])[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3	ZINC000299817486	570177712	/nfs/dbraw/zinc/17/77/12/570177712.db2.gz	FIWGZIBLJWZUEA-JLJBHMLXSA-N	-1	0	498.748	8.115	40	0	biogenic,in-vitro	JKABRM
CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O	ZINC000409232196	570178296	/nfs/dbraw/zinc/17/82/96/570178296.db2.gz	OTVVVNVQBSOVCT-WOJGMQOQSA-N	-1	0	476.348	5.173	40	0		JKABRM
Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCC(=O)[O-])n2)ccc1C(C)C	ZINC000328990917	570180747	/nfs/dbraw/zinc/18/07/47/570180747.db2.gz	IPZDGPXSEUDPQM-UHFFFAOYSA-N	-1	0	460.456	5.714	40	0		JKABRM
O=C([O-])c1ccc(COc2c(Cl)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)cc2Cl)cc1	ZINC000409241146	570182009	/nfs/dbraw/zinc/18/20/09/570182009.db2.gz	JADJNCMPJKNINY-CIAFOILYSA-N	-1	0	497.334	5.364	40	0		JKABRM
CC[C@@H](C)Nc1nc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329032246	570182311	/nfs/dbraw/zinc/18/23/11/570182311.db2.gz	QNUBWFNDWHVPRI-LLVKDONJSA-N	-1	0	487.309	5.852	40	0		JKABRM
CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1	ZINC000408543287	570192065	/nfs/dbraw/zinc/19/20/65/570192065.db2.gz	CNBJOUOEZGLDQS-UHFFFAOYSA-N	-1	0	456.995	6.044	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)c1C	ZINC000408545863	570193048	/nfs/dbraw/zinc/19/30/48/570193048.db2.gz	PBDSBMKXMZMTJB-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2Cl)c(C)c1	ZINC000408546143	570193218	/nfs/dbraw/zinc/19/32/18/570193218.db2.gz	CLDWAALTIQTLLM-UHFFFAOYSA-N	-1	0	456.995	5.935	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3c(F)cccc3F)ccc2Cl)c(C)c1	ZINC000408546179	570193291	/nfs/dbraw/zinc/19/32/91/570193291.db2.gz	COWJRIKFSVZMAI-UHFFFAOYSA-N	-1	0	450.894	5.288	40	0		JKABRM
Cc1ccc(SCCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000408546548	570193308	/nfs/dbraw/zinc/19/33/08/570193308.db2.gz	FEEPVCCZQZIFPY-UHFFFAOYSA-N	-1	0	489.062	5.588	40	0		JKABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2Cl)cc1C	ZINC000408546777	570193467	/nfs/dbraw/zinc/19/34/67/570193467.db2.gz	VSZGECVNVLWQJJ-UHFFFAOYSA-N	-1	0	497.060	5.853	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2Cl)c1	ZINC000408546809	570193470	/nfs/dbraw/zinc/19/34/70/570193470.db2.gz	WEQHIWCLRXFCIL-UHFFFAOYSA-N	-1	0	483.804	6.317	40	0		JKABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)c1	ZINC000408546810	570193504	/nfs/dbraw/zinc/19/35/04/570193504.db2.gz	GOBHCSHTHVIYLB-UHFFFAOYSA-N	-1	0	463.386	5.341	40	0		JKABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2Cl)c1	ZINC000408549029	570194407	/nfs/dbraw/zinc/19/44/07/570194407.db2.gz	VVKGRLOPJNPHEU-UHFFFAOYSA-N	-1	0	453.322	5.494	40	0		JKABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408559742	570200050	/nfs/dbraw/zinc/20/00/50/570200050.db2.gz	YIMHPXJAUNGRJI-UHFFFAOYSA-N	-1	0	484.883	5.421	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1NC(=O)c1cccc(Cl)c1	ZINC000408560722	570200605	/nfs/dbraw/zinc/20/06/05/570200605.db2.gz	PQIDQOBIOPSYMS-UHFFFAOYSA-N	-1	0	498.910	5.811	40	0		JKABRM
O=C([O-])c1cc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000408566301	570203761	/nfs/dbraw/zinc/20/37/61/570203761.db2.gz	NKWHQGQDICJBND-UHFFFAOYSA-N	-1	0	485.367	5.375	40	0		JKABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1Cl	ZINC000408581433	570206754	/nfs/dbraw/zinc/20/67/54/570206754.db2.gz	WQGKGUNYNXJSCV-UHFFFAOYSA-N	-1	0	469.777	6.008	40	0		JKABRM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1NC(=O)c1ccccc1	ZINC000408592949	570209648	/nfs/dbraw/zinc/20/96/48/570209648.db2.gz	LBPLAPKLOXVYHO-UHFFFAOYSA-N	-1	0	498.910	5.811	40	0		JKABRM