smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)c(OC)c1	ZINC000058848958	195384116	/nfs/dbraw/zinc/38/41/16/195384116.db2.gz	HHFYNMBQZODVPW-VKIDHGPPSA-N	-1	1	492.597	5.340	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c(OC)c1	ZINC000058849226	195384232	/nfs/dbraw/zinc/38/42/32/195384232.db2.gz	GGNVEGDBNAZMDH-OREGWCPLSA-N	-1	1	476.598	5.640	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000058849054	195384239	/nfs/dbraw/zinc/38/42/39/195384239.db2.gz	DMKZDCLADLEOAJ-ANSQWYIGSA-N	-1	1	464.562	5.852	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	ZINC000058849008	195384267	/nfs/dbraw/zinc/38/42/67/195384267.db2.gz	GEECBTKJJCWADR-GNBJCERTSA-N	-1	1	476.554	5.051	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)c(OC)c1	ZINC000058849218	195384294	/nfs/dbraw/zinc/38/42/94/195384294.db2.gz	JMMBQMQDZXVONM-OREGWCPLSA-N	-1	1	476.598	5.640	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000058849157	195384423	/nfs/dbraw/zinc/38/44/23/195384423.db2.gz	VUXFYJWCACXVHN-LZCXECNNSA-N	-1	1	491.569	5.621	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(OC)c1	ZINC000058849232	195384458	/nfs/dbraw/zinc/38/44/58/195384458.db2.gz	GSIGCZJWEKRXSW-ANSQWYIGSA-N	-1	1	480.561	5.470	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	ZINC000058849822	195384551	/nfs/dbraw/zinc/38/45/51/195384551.db2.gz	BRKUAIDVERUKCN-ASHZAFPQSA-N	-1	1	490.581	5.360	40	10		JKCBMM
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849956	195384645	/nfs/dbraw/zinc/38/46/45/195384645.db2.gz	WLSNMMMUNUCYHH-SGIRGMQISA-N	-1	1	461.543	5.531	40	10		JKCBMM
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2[C@H]2C=CC[C@H]21	ZINC000058849990	195384918	/nfs/dbraw/zinc/38/49/18/195384918.db2.gz	LWZXCFQJFVXAOA-DFIYOIEZSA-N	-1	1	477.542	5.231	40	10		JKCBMM
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058850028	195385021	/nfs/dbraw/zinc/38/50/21/195385021.db2.gz	DISCIHYWDDYFSI-YZUZCNPQSA-N	-1	1	492.513	5.130	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1	ZINC000058850339	195385406	/nfs/dbraw/zinc/38/54/06/195385406.db2.gz	ZEFQRUKMGQNZTF-RHGYRFJNSA-N	-1	1	499.951	6.015	40	10		JKCBMM
Cc1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=S)[N-]C3=O)c2-c2ccccc2)cc1	ZINC000059399124	195398853	/nfs/dbraw/zinc/39/88/53/195398853.db2.gz	FNDRKCQTLIHLAU-ULJHMMPZSA-N	-1	1	452.604	6.609	40	10		JKCBMM
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3[O-])C2=O)cc1	ZINC000016691401	520850485	/nfs/dbraw/zinc/85/04/85/520850485.db2.gz	FSRSWBWNOOSRSL-QGOAFFKASA-N	-1	1	452.337	6.569	40	10		JKCBMM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)c1	ZINC000006142732	524194943	/nfs/dbraw/zinc/19/49/43/524194943.db2.gz	DXIXXRRFNFXDBC-UHFFFAOYSA-N	-1	1	492.647	6.724	40	10		JKCBMM
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c(C)c2O)c2ccccc12	ZINC000016807709	525676912	/nfs/dbraw/zinc/67/69/12/525676912.db2.gz	XDHREGYDYYNESH-UHFFFAOYSA-N	-1	1	465.531	5.279	40	10		JKCBMM
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2c1	ZINC000004362788	525681915	/nfs/dbraw/zinc/68/19/15/525681915.db2.gz	KSVCKYTZBLWIPE-UHFFFAOYSA-N	-1	1	497.001	6.051	40	10		JKCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc21	ZINC000033387827	526091773	/nfs/dbraw/zinc/09/17/73/526091773.db2.gz	PKIUBSSYGUIDMZ-BOPFTXTBSA-N	-1	1	468.376	5.107	40	10		JKCBMM
O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccccc1)c1ccc(F)cc1)c1ccccc1	ZINC000016476493	527668620	/nfs/dbraw/zinc/66/86/20/527668620.db2.gz	CCDGICZBZDJWCN-WJGQKVTCSA-N	-1	1	459.567	6.041	40	10		JKCBMM
COc1ccc(N2C(=O)/C(=C\c3ccc([O-])c(Br)c3)SC2=S)cc1Cl	ZINC000006672318	554557771	/nfs/dbraw/zinc/55/77/71/554557771.db2.gz	CQSGFKYGFZSPOE-VIZOYTHASA-N	-1	1	456.770	5.223	40	10		JKCBMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3c(O)ccc4ccccc43)c(O)c3ccccc23)cc1C	ZINC000008857543	554754025	/nfs/dbraw/zinc/75/40/25/554754025.db2.gz	JICHHLJDXSBDRA-UHFFFAOYSA-N	-1	1	483.589	6.797	40	10		JKCBMM
O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1ccc2ccccc2c1	ZINC000008871911	554767769	/nfs/dbraw/zinc/76/77/69/554767769.db2.gz	MIGUZJSYMQXXFS-UHFFFAOYSA-N	-1	1	491.568	7.025	40	10		JKCBMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1	ZINC000013674500	555565654	/nfs/dbraw/zinc/56/56/54/555565654.db2.gz	HTWSCTZJBWHFNH-UHFFFAOYSA-N	-1	1	491.657	5.333	40	10		JKCBMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1	ZINC000010112127	555624561	/nfs/dbraw/zinc/62/45/61/555624561.db2.gz	FYMVLDMCCAFICQ-UHFFFAOYSA-N	-1	1	477.630	5.025	40	10		JKCBMM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1C	ZINC000010112129	555624600	/nfs/dbraw/zinc/62/46/00/555624600.db2.gz	FEEIFIJSZCUBCK-UHFFFAOYSA-N	-1	1	491.657	5.333	40	10		JKCBMM
CC(=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000020286520	555755165	/nfs/dbraw/zinc/75/51/65/555755165.db2.gz	LVRPYOVGYKEMDA-JLPGSUDCSA-N	-1	1	483.553	6.289	40	10		JKCBMM
CC(=Nc1cccc(Br)c1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000020288254	555757077	/nfs/dbraw/zinc/75/70/77/555757077.db2.gz	SDRBOUCSHFAQQM-QNGOZBTKSA-N	-1	1	450.311	5.725	40	10		JKCBMM
CC(=Nc1ccc(Br)cc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000020288249	555757124	/nfs/dbraw/zinc/75/71/24/555757124.db2.gz	BPXMRZOZLSFZAK-QNGOZBTKSA-N	-1	1	477.318	5.494	40	10		JKCBMM
CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3F)o2)C(=O)NC1=S	ZINC000032116543	556424165	/nfs/dbraw/zinc/42/41/65/556424165.db2.gz	VAMPQEVSHLXDQX-ATVHPVEESA-N	-1	1	464.474	5.018	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000107604097	569856676	/nfs/dbraw/zinc/85/66/76/569856676.db2.gz	JVXNRILTJYBZPI-PKAZHMFMSA-N	-1	1	497.982	5.788	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	ZINC000108204737	569859034	/nfs/dbraw/zinc/85/90/34/569859034.db2.gz	OMSKEKOOWWDBMG-PKAZHMFMSA-N	-1	1	481.527	5.274	40	10		JKCBMM
O=C1[N-]C(=S)S/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21	ZINC000113834183	569862139	/nfs/dbraw/zinc/86/21/39/569862139.db2.gz	KSIUFGXJCNVVFD-YBFXNURJSA-N	-1	1	456.386	5.670	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1	ZINC000223210990	569903613	/nfs/dbraw/zinc/90/36/13/569903613.db2.gz	AVUDQQBZAOPGLH-UHFFFAOYSA-N	-1	1	486.037	5.225	40	10		JKCBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[O-])n2)c1	ZINC000408631479	569982956	/nfs/dbraw/zinc/98/29/56/569982956.db2.gz	FBLRUDLQIIRYJM-YDZHTSKRSA-N	-1	1	490.585	5.423	40	10		JKCBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccccc4)c3C)C(=O)[O-])n2)c1	ZINC000408633790	569984678	/nfs/dbraw/zinc/98/46/78/569984678.db2.gz	PMGISPKUTLTOMB-XKZIYDEJSA-N	-1	1	476.558	5.114	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000408633926	569984829	/nfs/dbraw/zinc/98/48/29/569984829.db2.gz	NORBREMFPMDBMM-BKUYFWCQSA-N	-1	1	464.978	6.059	40	10		JKCBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)[O-])n2)c1	ZINC000408635057	569985545	/nfs/dbraw/zinc/98/55/45/569985545.db2.gz	YIWIUUOPVUQJAE-UUYOSTAYSA-N	-1	1	494.548	5.253	40	10		JKCBMM
COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(C)C	ZINC000225743685	570019110	/nfs/dbraw/zinc/01/91/10/570019110.db2.gz	GBSRJCFIYWROJY-UHFFFAOYSA-N	-1	1	457.979	5.812	40	10		JKCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000408768164	570038237	/nfs/dbraw/zinc/03/82/37/570038237.db2.gz	CKWAYUPDZBSRQM-KEBDBYFISA-N	-1	1	480.458	5.027	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)c(Br)cc1OCc1ccc(F)cc1	ZINC000408851656	570055802	/nfs/dbraw/zinc/05/58/02/570055802.db2.gz	LRVQTRNOWZUCTM-CAOOACKPSA-N	-1	1	468.369	5.055	40	10		JKCBMM
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3[O-])C2=O)cc1Br	ZINC000408984317	570091673	/nfs/dbraw/zinc/09/16/73/570091673.db2.gz	GRMSHYNEFYAPTL-LDADJPATSA-N	-1	1	496.788	6.678	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000408995330	570095202	/nfs/dbraw/zinc/09/52/02/570095202.db2.gz	MIQARZVKMAOFEY-MTJSOVHGSA-N	-1	1	455.004	5.815	40	10		JKCBMM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])c(Cl)c4)o3)C(=O)NC2=S)cc1	ZINC000409221403	570174601	/nfs/dbraw/zinc/17/46/01/570174601.db2.gz	PVQWLPQLHCZYRS-XDHOZWIPSA-N	-1	1	494.956	5.253	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	ZINC000058848913	195383939	/nfs/dbraw/zinc/38/39/39/195383939.db2.gz	HGCJPWLFDIAGDE-WZOHSFFVSA-N	-1	1	466.990	5.976	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000058848903	195384006	/nfs/dbraw/zinc/38/40/06/195384006.db2.gz	TWUAZWXUEJUASU-WZOHSFFVSA-N	-1	1	450.535	5.462	40	10		JKCBMM
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058848943	195384079	/nfs/dbraw/zinc/38/40/79/195384079.db2.gz	SNKTXLJOXGFMNC-LZCXECNNSA-N	-1	1	462.571	5.331	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2	ZINC000058849110	195384352	/nfs/dbraw/zinc/38/43/52/195384352.db2.gz	AWJIAPAJXXUQNK-OREGWCPLSA-N	-1	1	476.598	5.721	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	ZINC000058849175	195384410	/nfs/dbraw/zinc/38/44/10/195384410.db2.gz	ZUXYLCSPCHAYGU-ASHZAFPQSA-N	-1	1	490.581	5.441	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	ZINC000058849736	195384628	/nfs/dbraw/zinc/38/46/28/195384628.db2.gz	LBQVRQHHXJKGTE-LZCXECNNSA-N	-1	1	481.017	6.284	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	ZINC000058849720	195384685	/nfs/dbraw/zinc/38/46/85/195384685.db2.gz	HZCRHSDXXYHXOY-TYPXCFOJSA-N	-1	1	474.626	6.248	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000058849804	195384749	/nfs/dbraw/zinc/38/47/49/195384749.db2.gz	MJXHHAWDLSOYFK-LZCXECNNSA-N	-1	1	491.569	5.539	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	ZINC000058850302	195385280	/nfs/dbraw/zinc/38/52/80/195385280.db2.gz	PMYINQWKOKOGQV-DFXHWTJYSA-N	-1	1	499.007	6.505	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	ZINC000058850292	195385423	/nfs/dbraw/zinc/38/54/23/195385423.db2.gz	XCGJLXVTXDXYBU-QLODZENZSA-N	-1	1	484.980	6.115	40	10		JKCBMM
Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc(C(=O)[O-])ccc1Cl	ZINC000059136210	195391303	/nfs/dbraw/zinc/39/13/03/195391303.db2.gz	UISGCHYEEOIWHU-MHWRWJLKSA-N	-1	1	497.935	5.256	40	10		JKCBMM
CCN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)[N-]C1=S	ZINC000059182329	195393750	/nfs/dbraw/zinc/39/37/50/195393750.db2.gz	AEWQRLOLDWJVHV-NBVRZTHBSA-N	-1	1	467.978	5.251	40	10		JKCBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)c4ccccc43)c2C)C(=O)[N-]C1=S	ZINC000059182298	195393755	/nfs/dbraw/zinc/39/37/55/195393755.db2.gz	DAHMXURDWNAJHC-LDADJPATSA-N	-1	1	482.403	5.497	40	10		JKCBMM
CCCCOC(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)cc1	ZINC000016638957	520721043	/nfs/dbraw/zinc/72/10/43/520721043.db2.gz	PLCKAOFSMQLEPC-ZHZULCJRSA-N	-1	1	456.340	5.125	40	10		JKCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000033317913	526093138	/nfs/dbraw/zinc/09/31/38/526093138.db2.gz	HDZQBEXQSWPGFG-NDENLUEZSA-N	-1	1	451.529	5.477	40	10		JKCBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2C)cc1	ZINC000010112143	555624638	/nfs/dbraw/zinc/62/46/38/555624638.db2.gz	XUNVSTRGHWUHLG-UHFFFAOYSA-N	-1	1	477.630	5.025	40	10		JKCBMM
CC(=Nc1ccc(Br)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000020288246	555757016	/nfs/dbraw/zinc/75/70/16/555757016.db2.gz	JDIVONDOICEERL-QNGOZBTKSA-N	-1	1	489.398	6.196	40	10		JKCBMM
CC(=Nc1cccc(OC(F)(F)F)c1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000020288404	555757702	/nfs/dbraw/zinc/75/77/02/555757702.db2.gz	YYYDSACJRFBDAA-QNGOZBTKSA-N	-1	1	482.418	5.630	40	10		JKCBMM
O=C([N-]N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1Cl	ZINC000011565585	555787807	/nfs/dbraw/zinc/78/78/07/555787807.db2.gz	JMORTTXDYGMFKJ-RZNTYIFUSA-N	-1	1	478.209	5.846	40	10		JKCBMM
O=C1C=CC(=NNc2ccc(C=Cc3ccc(NNc4ccc(O)cc4O)cc3)cc2)C([O-])=C1	ZINC000024717458	556147134	/nfs/dbraw/zinc/14/71/34/556147134.db2.gz	LXVPUYDOHUGVTK-XXAYDXDWSA-N	-1	1	454.486	7.773	40	10		JKCBMM
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cc(Cl)ccc1[O-]	ZINC000019326093	556341639	/nfs/dbraw/zinc/34/16/39/556341639.db2.gz	IMTSUKQZICMPHY-UHFFFAOYSA-N	-1	1	452.982	5.470	40	10		JKCBMM
Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1	ZINC000033492482	569626957	/nfs/dbraw/zinc/62/69/57/569626957.db2.gz	XIOGGNXTIQJXOP-HAHDFKILSA-N	-1	1	486.369	5.222	40	10		JKCBMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc21	ZINC000108139471	569858769	/nfs/dbraw/zinc/85/87/69/569858769.db2.gz	YGMKFSJLOXAWHQ-JLPGSUDCSA-N	-1	1	499.364	5.643	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	ZINC000108226757	569859133	/nfs/dbraw/zinc/85/91/33/569859133.db2.gz	OORWFVYLDJKVTO-IMRQLAEWSA-N	-1	1	463.537	5.135	40	10		JKCBMM
COc1cc(COc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)ccc1OCc1ccccc1	ZINC000108263029	569859355	/nfs/dbraw/zinc/85/93/55/569859355.db2.gz	OFYOYNDUWZKYRV-YDZHTSKRSA-N	-1	1	498.025	5.995	40	10		JKCBMM
COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccccc1-c1ccccc1	ZINC000112294874	569861188	/nfs/dbraw/zinc/86/11/88/569861188.db2.gz	OHLURHBZXJAERE-ITYLOYPMSA-N	-1	1	455.514	5.014	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000408631987	569983364	/nfs/dbraw/zinc/98/33/64/569983364.db2.gz	CCRRSPCDDUKEMT-NDENLUEZSA-N	-1	1	485.396	6.404	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3cccc(C)c3)c2C)C(=O)[O-])n1	ZINC000408632222	569983581	/nfs/dbraw/zinc/98/35/81/569983581.db2.gz	OUTDNIJQGMWTJJ-WSDLNYQXSA-N	-1	1	495.004	6.067	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(N(C)C)cc1	ZINC000408632617	569983879	/nfs/dbraw/zinc/98/38/79/569983879.db2.gz	FSWZYROVDUZSQU-HYARGMPZSA-N	-1	1	494.020	5.816	40	10		JKCBMM
CN(C)c1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])cc1Br	ZINC000408633219	569984294	/nfs/dbraw/zinc/98/42/94/569984294.db2.gz	JAWYXOYANGUZCH-YBEGLDIGSA-N	-1	1	479.787	5.171	40	10		JKCBMM
O=C1[N-]C(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	ZINC000408533674	570189095	/nfs/dbraw/zinc/18/90/95/570189095.db2.gz	ZUGNSEJNQNMOGG-AUWJEWJLSA-N	-1	1	475.216	5.824	40	10		JKCBMM
CCCCCCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1Br	ZINC000408540483	570191369	/nfs/dbraw/zinc/19/13/69/570191369.db2.gz	SJAJYUWRKBIZNQ-UKTHLTGXSA-N	-1	1	479.259	5.660	40	10		JKCBMM
COc1cc(COc2ccc(C=C3SC(=S)[N-]C3=O)cc2)ccc1OCc1ccccc1	ZINC000408540133	570191380	/nfs/dbraw/zinc/19/13/80/570191380.db2.gz	NMDUTUQHAYCICF-OEAKJJBVSA-N	-1	1	463.580	5.342	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	ZINC000058848936	195384091	/nfs/dbraw/zinc/38/40/91/195384091.db2.gz	LUAGIIVEYUGDDM-ANSQWYIGSA-N	-1	1	462.571	5.331	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	ZINC000058848982	195384105	/nfs/dbraw/zinc/38/41/05/195384105.db2.gz	NFMPJZNFQSNIFE-ATLLOTDBSA-N	-1	1	477.542	5.231	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000058848986	195384112	/nfs/dbraw/zinc/38/41/12/195384112.db2.gz	FPBFDZIAATVRCT-WZOHSFFVSA-N	-1	1	477.542	5.231	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2	ZINC000058849006	195384319	/nfs/dbraw/zinc/38/43/19/195384319.db2.gz	YALRVVILKYHPLU-SXDGJLEOSA-N	-1	1	490.625	6.110	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000058849059	195384380	/nfs/dbraw/zinc/38/43/80/195384380.db2.gz	MEVCQTZJODZHGB-LZCXECNNSA-N	-1	1	464.562	5.852	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2	ZINC000058849044	195384403	/nfs/dbraw/zinc/38/44/03/195384403.db2.gz	GWWWWFHTIRLVEH-OREGWCPLSA-N	-1	1	460.599	6.021	40	10		JKCBMM
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849263	195384436	/nfs/dbraw/zinc/38/44/36/195384436.db2.gz	QNTLZPQGBODPGG-OREGWCPLSA-N	-1	1	492.597	5.340	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c(OC)c1	ZINC000058849252	195384463	/nfs/dbraw/zinc/38/44/63/195384463.db2.gz	BPJADEQNKWLSSB-LZCXECNNSA-N	-1	1	497.016	5.985	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000058849727	195384709	/nfs/dbraw/zinc/38/47/09/195384709.db2.gz	MTBUXKJVSHAPAQ-LZCXECNNSA-N	-1	1	464.562	5.770	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000058849809	195384755	/nfs/dbraw/zinc/38/47/55/195384755.db2.gz	NZAKKFLDABCULI-LZCXECNNSA-N	-1	1	491.569	5.539	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000058849725	195384785	/nfs/dbraw/zinc/38/47/85/195384785.db2.gz	RVRLKJXHQWTGPY-ANSQWYIGSA-N	-1	1	464.562	5.770	40	10		JKCBMM
CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)[N-]C1=S	ZINC000059087098	195387264	/nfs/dbraw/zinc/38/72/64/195387264.db2.gz	PNGDWJTUZRJJHH-MHWRWJLKSA-N	-1	1	458.370	5.483	40	10		JKCBMM
CCc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000059104173	195387793	/nfs/dbraw/zinc/38/77/93/195387793.db2.gz	UPJOBOCEKSBNKQ-PXLXIMEGSA-N	-1	1	486.549	5.198	40	10		JKCBMM
CC1=NN(c2ccccc2)C(=S)C1=CNc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000016310652	520897128	/nfs/dbraw/zinc/89/71/28/520897128.db2.gz	KIVILYFEPHCLEF-PGMHBOJBSA-N	-1	1	462.600	5.315	40	10		JKCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	ZINC000016195622	521976693	/nfs/dbraw/zinc/97/66/93/521976693.db2.gz	BKWVMGATKHYDOJ-UUASQNMZSA-N	-1	1	460.791	5.723	40	10		JKCBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c(Cl)c2)cc1	ZINC000044903579	525601036	/nfs/dbraw/zinc/60/10/36/525601036.db2.gz	YBNXYJPGEMEYJT-UHFFFAOYSA-N	-1	1	498.048	5.370	40	10		JKCBMM
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2O)c2ccccc12	ZINC000016807683	525676725	/nfs/dbraw/zinc/67/67/25/525676725.db2.gz	CHODVZYXGMNXCM-UHFFFAOYSA-N	-1	1	465.531	5.279	40	10		JKCBMM
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc(Cl)c2O)c2ccccc12	ZINC000016779686	525677395	/nfs/dbraw/zinc/67/73/95/525677395.db2.gz	NAFCXMRNANFYLD-UHFFFAOYSA-N	-1	1	461.370	6.061	40	10		JKCBMM
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c2c1	ZINC000004362789	525681747	/nfs/dbraw/zinc/68/17/47/525681747.db2.gz	BBOGGVCRUGPBQD-UHFFFAOYSA-N	-1	1	490.972	5.989	40	10		JKCBMM
O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000000847543	553796697	/nfs/dbraw/zinc/79/66/97/553796697.db2.gz	PMHQZTDRWWMSJV-HYARGMPZSA-N	-1	1	490.300	5.059	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccccc3)cc1)c2O	ZINC000004887195	554482911	/nfs/dbraw/zinc/48/29/11/554482911.db2.gz	AIHPHBBNLJQATD-ZDXBJJIESA-N	-1	1	489.513	6.581	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NN=C1C=CC(=NNc3ccccc3)C=C1)C2=O	ZINC000004887195	554482914	/nfs/dbraw/zinc/48/29/14/554482914.db2.gz	AIHPHBBNLJQATD-ZDXBJJIESA-N	-1	1	489.513	6.581	40	10		JKCBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)cc1C	ZINC000010112130	555624647	/nfs/dbraw/zinc/62/46/47/555624647.db2.gz	RXTMGIIZMDWBCK-UHFFFAOYSA-N	-1	1	491.657	5.333	40	10		JKCBMM
COc1ccc(-n2[n-]c(C)c(C(C)=Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)c2=O)cc1	ZINC000020286509	555755092	/nfs/dbraw/zinc/75/50/92/555755092.db2.gz	UKNYKYYQDFPAKM-UQQQWYQISA-N	-1	1	468.582	6.389	40	10		JKCBMM
CC(=Nc1cccc(OC(F)(F)F)c1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000020288399	555757680	/nfs/dbraw/zinc/75/76/80/555757680.db2.gz	WCRMQKHTZOCICT-QNGOZBTKSA-N	-1	1	455.411	5.861	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ccccc2-c2ccccc2)cc1	ZINC000020289099	555759560	/nfs/dbraw/zinc/75/95/60/555759560.db2.gz	ULVUXCQASISKKI-RRAHZORUSA-N	-1	1	477.539	6.638	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2cccc(Cl)c2C)cc1	ZINC000020289118	555759628	/nfs/dbraw/zinc/75/96/28/555759628.db2.gz	CUOVXYKUNRTIJU-ULJHMMPZSA-N	-1	1	461.949	5.803	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2cccc3ccccc32)cc1	ZINC000020289145	555759904	/nfs/dbraw/zinc/75/99/04/555759904.db2.gz	BLQFHFVPSWAVMG-ITYLOYPMSA-N	-1	1	478.508	5.894	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2ccc(Cl)cc2C)cc1	ZINC000020289132	555759929	/nfs/dbraw/zinc/75/99/29/555759929.db2.gz	CDMOEIDOSXBNCJ-KQWNVCNZSA-N	-1	1	489.000	6.404	40	10		JKCBMM
COc1cc([N+](=O)[O-])ccc1/N=N/c1c(Nc2ccccc2)ccc2cc(S(=O)(=O)[O-])cc(O)c21	ZINC000025694391	556230544	/nfs/dbraw/zinc/23/05/44/556230544.db2.gz	ZKKXWYBZRLNAQS-OCEACIFDSA-N	-1	1	494.485	5.868	40	10		JKCBMM
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cc(Br)ccc1[O-]	ZINC000019326090	556341838	/nfs/dbraw/zinc/34/18/38/556341838.db2.gz	GWMRZDCENDKNHO-UHFFFAOYSA-N	-1	1	497.433	5.579	40	10		JKCBMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21	ZINC000033660648	569630086	/nfs/dbraw/zinc/63/00/86/569630086.db2.gz	CXSVQXZCOHWWHC-JCMHNJIXSA-N	-1	1	489.358	6.187	40	10		JKCBMM
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)c(C)c1	ZINC000100899144	569774692	/nfs/dbraw/zinc/77/46/92/569774692.db2.gz	CBAPORZLOWXHFY-FUDKSRODSA-N	-1	1	483.351	5.367	40	10		JKCBMM
Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cc(Cl)cc(Cl)c3O)C2=O)c(C)c1	ZINC000100899147	569774747	/nfs/dbraw/zinc/77/47/47/569774747.db2.gz	CBAPORZLOWXHFY-XPNTWCBSSA-N	-1	1	483.351	5.367	40	10		JKCBMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	ZINC000100931047	569776261	/nfs/dbraw/zinc/77/62/61/569776261.db2.gz	NGDCVBRKDCVFFH-HZHRSRAPSA-N	-1	1	480.977	5.168	40	10		JKCBMM
COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)c(Cl)c1	ZINC000103919984	569839171	/nfs/dbraw/zinc/83/91/71/569839171.db2.gz	LQNZOCBUXHLTBL-ODLFYWEKSA-N	-1	1	475.357	5.255	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccccc3)cc1)c2O	ZINC000104045316	569840141	/nfs/dbraw/zinc/84/01/41/569840141.db2.gz	AIHPHBBNLJQATD-TZZNUMCQSA-N	-1	1	489.513	6.581	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NN=C1C=CC(=NNc3ccccc3)C=C1)C2=O	ZINC000104045316	569840142	/nfs/dbraw/zinc/84/01/42/569840142.db2.gz	AIHPHBBNLJQATD-TZZNUMCQSA-N	-1	1	489.513	6.581	40	10		JKCBMM
Cc1ccc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2Br)cc1	ZINC000113830753	569862045	/nfs/dbraw/zinc/86/20/45/569862045.db2.gz	GMUPFLFZWZCIBQ-OVCLIPMQSA-N	-1	1	499.249	5.588	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1	ZINC000223302617	569906693	/nfs/dbraw/zinc/90/66/93/569906693.db2.gz	FPZYVVMGPKYAKR-UHFFFAOYSA-N	-1	1	486.037	5.225	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1	ZINC000225105792	569975325	/nfs/dbraw/zinc/97/53/25/569975325.db2.gz	UANGMONOHMJOLW-UHFFFAOYSA-N	-1	1	479.646	5.189	40	10		JKCBMM
CCN(CC)c1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(OC)c1	ZINC000408632012	569983342	/nfs/dbraw/zinc/98/33/42/569983342.db2.gz	COLVUUYNCHABTQ-UNOMPAQXSA-N	-1	1	458.971	5.198	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1c(C)cccc1C	ZINC000408631996	569983360	/nfs/dbraw/zinc/98/33/60/569983360.db2.gz	CHAOEBYASIWJGA-BKUYFWCQSA-N	-1	1	479.005	6.367	40	10		JKCBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[O-])n2)c1	ZINC000408635061	569985519	/nfs/dbraw/zinc/98/55/19/569985519.db2.gz	YKOHCQQRSXIUFO-QRVIBDJDSA-N	-1	1	490.585	5.423	40	10		JKCBMM
CCCCOC(=O)c1ccc(-n2c(C)cc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)c2C)cc1	ZINC000408735756	570030285	/nfs/dbraw/zinc/03/02/85/570030285.db2.gz	WXZCKWCSTZMHGU-UHFFFAOYSA-N	-1	1	475.614	6.307	40	10		JKCBMM
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3[O-])C2=O)cc1OC	ZINC000408758106	570036046	/nfs/dbraw/zinc/03/60/46/570036046.db2.gz	GQAWNHIIOQBICR-GZTJUZNOSA-N	-1	1	468.336	6.188	40	10		JKCBMM
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000408902473	570069439	/nfs/dbraw/zinc/06/94/39/570069439.db2.gz	OEHQEZJQVZTRHZ-UKTHLTGXSA-N	-1	1	470.797	5.613	40	10		JKCBMM
O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	ZINC000409186744	570160758	/nfs/dbraw/zinc/16/07/58/570160758.db2.gz	HIVKXJSSQGBPIW-VIZOYTHASA-N	-1	1	485.222	5.279	40	10		JKCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	ZINC000409192285	570162424	/nfs/dbraw/zinc/16/24/24/570162424.db2.gz	WFFTZUDOZOBJNQ-DEDYPNTBSA-N	-1	1	494.981	5.021	40	10		JKCBMM
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)NC2=S)cc1	ZINC000409236986	570180076	/nfs/dbraw/zinc/18/00/76/570180076.db2.gz	UECXMDDDABEWJH-UNOMPAQXSA-N	-1	1	494.956	5.253	40	10		JKCBMM
Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c(C)c1C	ZINC000408529922	570187377	/nfs/dbraw/zinc/18/73/77/570187377.db2.gz	KMNNQVOCDALPLW-XYGWBWBKSA-N	-1	1	484.600	6.398	40	10		JKCBMM
Cc1[n-]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc(C)c(C)c([N+](=O)[O-])c1	ZINC000408534492	570189468	/nfs/dbraw/zinc/18/94/68/570189468.db2.gz	VRZFYISXFDILNM-YVLHZVERSA-N	-1	1	457.328	5.309	40	10		JKCBMM
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])cc1	ZINC000408537230	570190755	/nfs/dbraw/zinc/19/07/55/570190755.db2.gz	ZNWWUPUIBGZPLP-XYGWBWBKSA-N	-1	1	455.558	5.571	40	10		JKCBMM
Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000408537230	570190756	/nfs/dbraw/zinc/19/07/56/570190756.db2.gz	ZNWWUPUIBGZPLP-XYGWBWBKSA-N	-1	1	455.558	5.571	40	10		JKCBMM
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058848951	195383947	/nfs/dbraw/zinc/38/39/47/195383947.db2.gz	YZCAMFIFWLGOHT-OREGWCPLSA-N	-1	1	476.598	5.721	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	ZINC000058848967	195384022	/nfs/dbraw/zinc/38/40/22/195384022.db2.gz	DYHHNWBPHHQWHY-ASHZAFPQSA-N	-1	1	492.597	5.340	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2	ZINC000058848970	195384063	/nfs/dbraw/zinc/38/40/63/195384063.db2.gz	XCZQLYMTAOADNZ-ANSQWYIGSA-N	-1	1	492.597	5.340	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	ZINC000058849103	195384200	/nfs/dbraw/zinc/38/42/00/195384200.db2.gz	IZRRUOCNEQTONO-VKIDHGPPSA-N	-1	1	476.598	5.721	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	ZINC000058849069	195384206	/nfs/dbraw/zinc/38/42/06/195384206.db2.gz	JUGMYHCGARTJAG-LZCXECNNSA-N	-1	1	481.017	6.366	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2	ZINC000058849021	195384390	/nfs/dbraw/zinc/38/43/90/195384390.db2.gz	OSVGCPYJZHVBKX-SXDGJLEOSA-N	-1	1	488.653	6.620	40	10		JKCBMM
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OCC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849119	195384440	/nfs/dbraw/zinc/38/44/40/195384440.db2.gz	VVLRNLHKRMFYDP-SXDGJLEOSA-N	-1	1	490.625	6.111	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	ZINC000058849731	195384596	/nfs/dbraw/zinc/38/45/96/195384596.db2.gz	FVGHTDRMMOEQQU-ANSQWYIGSA-N	-1	1	481.017	6.284	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	ZINC000058849757	195384698	/nfs/dbraw/zinc/38/46/98/195384698.db2.gz	SHIRWGBEUBPHSR-VKIDHGPPSA-N	-1	1	476.598	5.640	40	10		JKCBMM
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849999	195385008	/nfs/dbraw/zinc/38/50/08/195385008.db2.gz	XVFCAOFZTPYHEY-SGIRGMQISA-N	-1	1	477.542	5.231	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1	ZINC000058849970	195385047	/nfs/dbraw/zinc/38/50/47/195385047.db2.gz	JWYWYUAHBSODAD-GLDPYIMESA-N	-1	1	465.506	5.361	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	ZINC000058849978	195385146	/nfs/dbraw/zinc/38/51/46/195385146.db2.gz	GBZZOGSLDOZDDK-GLDPYIMESA-N	-1	1	481.961	5.876	40	10		JKCBMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000059182189	195393732	/nfs/dbraw/zinc/39/37/32/195393732.db2.gz	UVRKESCBMDZTHA-FYJGNVAPSA-N	-1	1	492.582	5.250	40	10		JKCBMM
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C(=O)[N-]C1=S	ZINC000059182294	195393743	/nfs/dbraw/zinc/39/37/43/195393743.db2.gz	CBROVBBHDRLJGU-HZHRSRAPSA-N	-1	1	475.570	5.382	40	10		JKCBMM
CCc1ccccc1N1C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)NC1=S	ZINC000022717900	521852204	/nfs/dbraw/zinc/85/22/04/521852204.db2.gz	TYKWQFCPIIAOJG-ATVHPVEESA-N	-1	1	480.929	5.532	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	ZINC000016426101	523843853	/nfs/dbraw/zinc/84/38/53/523843853.db2.gz	FGEICFJXYMMLJN-LZJCXSABSA-N	-1	1	491.569	5.539	40	10		JKCBMM
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccc([O-])c(O)c2C3=O)cc1	ZINC000004706996	525322830	/nfs/dbraw/zinc/32/28/30/525322830.db2.gz	SYLQIUPVHTXOJL-UHFFFAOYSA-N	-1	1	450.494	5.977	40	10		JKCBMM
Cc1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=S)[N-]C3=O)c2-c2ccccc2)cc1	ZINC000016311372	525892534	/nfs/dbraw/zinc/89/25/34/525892534.db2.gz	FNDRKCQTLIHLAU-JJIBRWJFSA-N	-1	1	452.604	6.609	40	10		JKCBMM
C[C@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=S)cc1)C(=O)[O-]	ZINC000016322461	525925018	/nfs/dbraw/zinc/92/50/18/525925018.db2.gz	SIUJHRGAGDUHKC-YWEFTTLKSA-N	-1	1	465.314	5.153	40	10		JKCBMM
O=C([O-])c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)o2)c1	ZINC000016450257	526370018	/nfs/dbraw/zinc/37/00/18/526370018.db2.gz	DKWVQXFYBHTIEX-UVTDQMKNSA-N	-1	1	470.865	5.109	40	10		JKCBMM
O=S(=O)([N-]c1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccc(Br)cc1	ZINC000008834639	527246010	/nfs/dbraw/zinc/24/60/10/527246010.db2.gz	PQXGUXICTYOBIQ-UHFFFAOYSA-N	-1	1	495.445	5.304	40	10		JKCBMM
CC(C)(C)c1ccc(OCCn2cc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)c3ccccc32)cc1	ZINC000000813029	553785295	/nfs/dbraw/zinc/78/52/95/553785295.db2.gz	LPAYPNXXWHFMKA-LGUFXXKBSA-N	-1	1	479.580	5.479	40	10		JKCBMM
O=C(CC(=CC(=C1SC(=S)[N-]C1=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1	ZINC000002573735	554237039	/nfs/dbraw/zinc/23/70/39/554237039.db2.gz	BNTIJPJRTKWMBF-GDBHHJMHSA-N	-1	1	477.557	6.180	40	10		JKCBMM
CC(=Nc1ccc(Br)cc1)c1c(=O)n(-c2ccc(F)cc2)[n-]c1-c1ccccc1	ZINC000020288244	555757132	/nfs/dbraw/zinc/75/71/32/555757132.db2.gz	KBZWHNCJKYZZPW-QNGOZBTKSA-N	-1	1	450.311	5.725	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2cccc3ccccc32)cc1	ZINC000020289138	555759939	/nfs/dbraw/zinc/75/99/39/555759939.db2.gz	QQQATXJDIICRLW-DIBXZPPDSA-N	-1	1	463.537	5.994	40	10		JKCBMM
CCN(CC)Cc1cc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1[O-]	ZINC000017061429	556214793	/nfs/dbraw/zinc/21/47/93/556214793.db2.gz	AARWOQDVALPBFX-MHZLTWQESA-N	-1	1	465.615	5.330	40	10		JKCBMM
O=C([O-])c1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)cc1	ZINC000095544352	569726786	/nfs/dbraw/zinc/72/67/86/569726786.db2.gz	SHXMRBWVTZTQFL-FYJGNVAPSA-N	-1	1	499.523	5.199	40	10		JKCBMM
CCc1ccc(N2C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C(=O)NC2=S)cc1	ZINC000038173037	569800011	/nfs/dbraw/zinc/80/00/11/569800011.db2.gz	MWJRDUIMLAHNFC-NTUHNPAUSA-N	-1	1	465.756	5.042	40	10		JKCBMM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc(OC)c(OC)c(OC)c1	ZINC000103918580	569839039	/nfs/dbraw/zinc/83/90/39/569839039.db2.gz	LOKFJJPGODXPQC-STZFKDTASA-N	-1	1	466.563	5.211	40	10		JKCBMM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccc(OC(F)(F)F)c1	ZINC000103919319	569839161	/nfs/dbraw/zinc/83/91/61/569839161.db2.gz	UMERTGPRNXVSMQ-UYRXBGFRSA-N	-1	1	460.481	6.084	40	10		JKCBMM
Nc1cccc(C(=O)Nc2ccc3c(c2)cc(S(=O)(=O)[O-])c(N=Nc2ccccc2)c3O)c1	ZINC000104044289	569840015	/nfs/dbraw/zinc/84/00/15/569840015.db2.gz	BCVMGCIFYYEUCX-RQZHXJHFSA-N	-1	1	462.487	5.042	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccccc3)cc1)c2O	ZINC000104045305	569840102	/nfs/dbraw/zinc/84/01/02/569840102.db2.gz	AIHPHBBNLJQATD-MBBAZXQCSA-N	-1	1	489.513	6.581	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NN=C1C=CC(=NNc3ccccc3)C=C1)C2=O	ZINC000104045305	569840103	/nfs/dbraw/zinc/84/01/03/569840103.db2.gz	AIHPHBBNLJQATD-MBBAZXQCSA-N	-1	1	489.513	6.581	40	10		JKCBMM
CC(=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O	ZINC000112295156	569861211	/nfs/dbraw/zinc/86/12/11/569861211.db2.gz	FIUPRFUKHMSRJY-JLPGSUDCSA-N	-1	1	456.546	6.519	40	10		JKCBMM
CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	ZINC000113467975	569861842	/nfs/dbraw/zinc/86/18/42/569861842.db2.gz	JEXTWBHFOJYRJB-DIBXZPPDSA-N	-1	1	496.636	7.169	40	10		JKCBMM
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1[O-]	ZINC000113853957	569862224	/nfs/dbraw/zinc/86/22/24/569862224.db2.gz	PLBQOTRAOBRJSS-NTEUORMPSA-N	-1	1	480.156	5.122	40	10		JKCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1cccc2ccccc21	ZINC000208706341	569875859	/nfs/dbraw/zinc/87/58/59/569875859.db2.gz	ATRRQDBWAZWSMY-ODLFYWEKSA-N	-1	1	486.412	5.679	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCCC3)cc2C)C(=O)[O-])n1	ZINC000408631216	569982793	/nfs/dbraw/zinc/98/27/93/569982793.db2.gz	GHBOXTNQZSHWKB-UDWIEESQSA-N	-1	1	470.982	5.260	40	10		JKCBMM
CCN(CC)c1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1	ZINC000408632433	569983742	/nfs/dbraw/zinc/98/37/42/569983742.db2.gz	PYMGNFOPFCQSRP-UNOMPAQXSA-N	-1	1	458.971	5.198	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000408633231	569984286	/nfs/dbraw/zinc/98/42/86/569984286.db2.gz	JEKPHCQABOTFLE-FYJGNVAPSA-N	-1	1	464.978	6.059	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCCCC3)cc2)C(=O)[O-])n1	ZINC000408633186	569984355	/nfs/dbraw/zinc/98/43/55/569984355.db2.gz	WWZWQHAVBZAGRM-DEDYPNTBSA-N	-1	1	470.982	5.342	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)c(Br)cc1OCc1ccc(Cl)cc1	ZINC000408855666	570056456	/nfs/dbraw/zinc/05/64/56/570056456.db2.gz	FYKRMNZAFFKBHQ-CAOOACKPSA-N	-1	1	484.824	5.569	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408527634	570186551	/nfs/dbraw/zinc/18/65/51/570186551.db2.gz	BCEUXTUQCVSGMJ-SXGWCWSVSA-N	-1	1	484.824	5.569	40	10		JKCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1cccc(Cl)c1	ZINC000408532691	570188584	/nfs/dbraw/zinc/18/85/84/570188584.db2.gz	VGRHTBASJQLKBD-NVNXTCNLSA-N	-1	1	470.797	5.179	40	10		JKCBMM
CCN(CC)Cc1cc(C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1[O-]	ZINC000001558461	194127721	/nfs/dbraw/zinc/12/77/21/194127721.db2.gz	AARWOQDVALPBFX-HHHXNRCGSA-N	-1	1	465.615	5.330	40	10		JKCBMM
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058848947	195383991	/nfs/dbraw/zinc/38/39/91/195383991.db2.gz	FZJJBNYEVOEIGY-LZCXECNNSA-N	-1	1	462.571	5.331	40	10		JKCBMM
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058848963	195384067	/nfs/dbraw/zinc/38/40/67/195384067.db2.gz	YATHTDWFKQIHKH-VKIDHGPPSA-N	-1	1	492.597	5.340	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)c(OC)c1	ZINC000058849257	195384363	/nfs/dbraw/zinc/38/43/63/195384363.db2.gz	CVVMVXMKYCJCCU-VKIDHGPPSA-N	-1	1	492.597	5.340	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2	ZINC000058849115	195384369	/nfs/dbraw/zinc/38/43/69/195384369.db2.gz	MOPOELWNRVWZPC-OREGWCPLSA-N	-1	1	476.598	5.721	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	ZINC000058849987	195385089	/nfs/dbraw/zinc/38/50/89/195385089.db2.gz	GHTKJBRFDARIRU-YZUZCNPQSA-N	-1	1	481.961	5.876	40	10		JKCBMM
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058850003	195385175	/nfs/dbraw/zinc/38/51/75/195385175.db2.gz	LJKXUDWNFKMPSH-PPJWLVRDSA-N	-1	1	491.569	5.621	40	10		JKCBMM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1	ZINC000102786276	130303071	/nfs/dbraw/zinc/30/30/71/130303071.db2.gz	MNBSQJFMUFSHGX-JLPGSUDCSA-N	-1	1	474.586	5.131	40	10		JKCBMM
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(Cl)c2O)c2ccccc12	ZINC000016779690	525677163	/nfs/dbraw/zinc/67/71/63/525677163.db2.gz	ZECOSGGDZOKUNT-UHFFFAOYSA-N	-1	1	471.922	5.315	40	10		JKCBMM
Cc1ccc(-n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc2-c2ccccc2Cl)cc1	ZINC000016789150	525902175	/nfs/dbraw/zinc/90/21/75/525902175.db2.gz	DXMXXJBSSKHKGP-UHFFFAOYSA-N	-1	1	451.935	5.282	40	10		JKCBMM
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000022516361	526682586	/nfs/dbraw/zinc/68/25/86/526682586.db2.gz	URRSPORUXOAUGH-UHFFFAOYSA-N	-1	1	484.021	5.061	40	10		JKCBMM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1C	ZINC000013675552	555566642	/nfs/dbraw/zinc/56/66/42/555566642.db2.gz	LMMOFIMBLMLJOV-UHFFFAOYSA-N	-1	1	477.630	5.025	40	10		JKCBMM
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl	ZINC000020041291	555614007	/nfs/dbraw/zinc/61/40/07/555614007.db2.gz	QLPYNNJXDFUDGH-UHFFFAOYSA-N	-1	1	484.021	5.061	40	10		JKCBMM
CC(=Nc1ccccc1-c1ccccc1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000020288299	555757469	/nfs/dbraw/zinc/75/74/69/555757469.db2.gz	MREIEBTVNWIIMH-OOAXWGSJSA-N	-1	1	474.520	6.399	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccccc3)c(=O)c2C(C)=Nc2ccccc2-c2ccccc2)cc1	ZINC000020289094	555759610	/nfs/dbraw/zinc/75/96/10/555759610.db2.gz	FTLSJSJQHBDRLK-HFTWOUSFSA-N	-1	1	459.549	6.499	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2cccc3ccccc32)cc1	ZINC000020289139	555759862	/nfs/dbraw/zinc/75/98/62/555759862.db2.gz	VPEZLSZOVUKVHG-ITYLOYPMSA-N	-1	1	451.501	6.125	40	10		JKCBMM
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C([O-])=CC1=O	ZINC000018127750	556291951	/nfs/dbraw/zinc/29/19/51/556291951.db2.gz	BQOPZZKSXKNQIW-BYYHNAKLSA-N	-1	1	483.594	5.844	40	10		JKCBMM
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C(=O)C=C1[O-]	ZINC000018127750	556291952	/nfs/dbraw/zinc/29/19/52/556291952.db2.gz	BQOPZZKSXKNQIW-BYYHNAKLSA-N	-1	1	483.594	5.844	40	10		JKCBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)cc1	ZINC000030869117	556384572	/nfs/dbraw/zinc/38/45/72/556384572.db2.gz	DJSXWTKTUIWIFD-UHFFFAOYSA-N	-1	1	498.048	5.370	40	10		JKCBMM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000034702974	569649319	/nfs/dbraw/zinc/64/93/19/569649319.db2.gz	RRMLFTJDUPLYSO-MOSHPQCFSA-N	-1	1	482.367	5.100	40	10		JKCBMM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	ZINC000103919134	569839178	/nfs/dbraw/zinc/83/91/78/569839178.db2.gz	OIXQZQQGHUCERL-XHPQRKPJSA-N	-1	1	466.610	7.161	40	10		JKCBMM
CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000113831043	569862081	/nfs/dbraw/zinc/86/20/81/569862081.db2.gz	XGROESSROCBWAU-CPNJWEJPSA-N	-1	1	492.460	5.693	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1cccc(C)c1	ZINC000206939267	569874804	/nfs/dbraw/zinc/87/48/04/569874804.db2.gz	KMMPBXFBPNXVJD-YVLHZVERSA-N	-1	1	464.406	5.224	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1	ZINC000224988152	569967688	/nfs/dbraw/zinc/96/76/88/569967688.db2.gz	QOZYSESFPUOYDH-UHFFFAOYSA-N	-1	1	479.646	5.189	40	10		JKCBMM
O=C([O-])C(=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408631966	569983330	/nfs/dbraw/zinc/98/33/30/569983330.db2.gz	BTZLQRJLJBMLGV-CPNJWEJPSA-N	-1	1	485.953	5.241	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc2c(c1)OCO2	ZINC000408634768	569985266	/nfs/dbraw/zinc/98/52/66/569985266.db2.gz	UGDDOYKUYBGPKT-UFFVCSGVSA-N	-1	1	494.960	5.479	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000408634993	569985508	/nfs/dbraw/zinc/98/55/08/569985508.db2.gz	WFMVBLBOWSJFOT-NDENLUEZSA-N	-1	1	468.941	5.890	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1	ZINC000225395065	569994820	/nfs/dbraw/zinc/99/48/20/569994820.db2.gz	HFQZYLMSVDXHRU-UHFFFAOYSA-N	-1	1	479.646	5.189	40	10		JKCBMM
Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(C2CCCCC2)cc1	ZINC000408735784	570030186	/nfs/dbraw/zinc/03/01/86/570030186.db2.gz	XOQNXBYMNJXNRV-UHFFFAOYSA-N	-1	1	457.643	7.398	40	10		JKCBMM
O=C1[N-]C(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1	ZINC000408813978	570049861	/nfs/dbraw/zinc/04/98/61/570049861.db2.gz	FMYMBLMREFKARA-AUWJEWJLSA-N	-1	1	485.222	5.279	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)c(Br)cc1OCc1ccccc1Cl	ZINC000408849923	570055299	/nfs/dbraw/zinc/05/52/99/570055299.db2.gz	BAYFTICKYVQMKK-CAOOACKPSA-N	-1	1	484.824	5.569	40	10		JKCBMM
O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1Br)c1cccc2ccccc21	ZINC000408885894	570064521	/nfs/dbraw/zinc/06/45/21/570064521.db2.gz	GLXVBDHQEGHOFO-WQRHYEAKSA-N	-1	1	470.369	5.310	40	10		JKCBMM
O=C(Oc1ccc(Br)cc1/C=C1\SC(=S)[N-]C1=O)c1cccc2ccccc21	ZINC000408888222	570065051	/nfs/dbraw/zinc/06/50/51/570065051.db2.gz	UAIANPNNCKMEFM-WQRHYEAKSA-N	-1	1	470.369	5.310	40	10		JKCBMM
O=C1/C(=C\c2cc(Cl)cc(I)c2[O-])SC(=S)N1c1ccccc1	ZINC000408962540	570086499	/nfs/dbraw/zinc/08/64/99/570086499.db2.gz	SVTRECWTJLDFBO-NTUHNPAUSA-N	-1	1	473.744	5.056	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000408993068	570094778	/nfs/dbraw/zinc/09/47/78/570094778.db2.gz	BVAGLFPPKCFNHZ-FBHDLOMBSA-N	-1	1	489.449	6.469	40	10		JKCBMM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1	ZINC000409230819	570177694	/nfs/dbraw/zinc/17/76/94/570177694.db2.gz	FYLGFYFTGPQJKK-XDHOZWIPSA-N	-1	1	494.956	5.253	40	10		JKCBMM
Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccccc1I	ZINC000408526647	570186080	/nfs/dbraw/zinc/18/60/80/570186080.db2.gz	CWAZERZAWFQJKS-UVTDQMKNSA-N	-1	1	496.146	5.081	40	10		JKCBMM
Cc1[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000408527313	570186386	/nfs/dbraw/zinc/18/63/86/570186386.db2.gz	DIAGXHXDBHGRIE-JLPGSUDCSA-N	-1	1	455.558	5.571	40	10		JKCBMM
Cc1[n-]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	ZINC000408527790	570186557	/nfs/dbraw/zinc/18/65/57/570186557.db2.gz	GJWTYCIAUUBSME-HAHDFKILSA-N	-1	1	495.004	5.476	40	10		JKCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000408528129	570186632	/nfs/dbraw/zinc/18/66/32/570186632.db2.gz	CPYARCBXADAJTD-NVNXTCNLSA-N	-1	1	470.797	5.179	40	10		JKCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	ZINC000408540783	570191456	/nfs/dbraw/zinc/19/14/56/570191456.db2.gz	VVWWHTGXZPNEAO-ZVHZXABRSA-N	-1	1	493.606	5.351	40	10		JKCBMM
O=C(COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1	ZINC000408554733	570196453	/nfs/dbraw/zinc/19/64/53/570196453.db2.gz	UNBGHOLCFIJZPE-GIDUJCDVSA-N	-1	1	473.790	5.153	40	10		JKCBMM
CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2-c2ccccc2)cc1	ZINC000001874920	194151718	/nfs/dbraw/zinc/15/17/18/194151718.db2.gz	NVDWQTNDGZCIQV-UHFFFAOYSA-N	-1	1	459.571	5.618	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000058848897	195384046	/nfs/dbraw/zinc/38/40/46/195384046.db2.gz	NPDFDAVKIBXBAF-ATLLOTDBSA-N	-1	1	450.535	5.462	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	ZINC000058848908	195384056	/nfs/dbraw/zinc/38/40/56/195384056.db2.gz	VNOPSCGSYUSGNC-WZOHSFFVSA-N	-1	1	466.990	5.976	40	10		JKCBMM
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058848976	195384128	/nfs/dbraw/zinc/38/41/28/195384128.db2.gz	MBHUYKBXUGAJSO-LZCXECNNSA-N	-1	1	490.581	5.109	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c(OC)c1	ZINC000058849214	195384187	/nfs/dbraw/zinc/38/41/87/195384187.db2.gz	IFRHRFQKQRRXOY-LZCXECNNSA-N	-1	1	462.571	5.331	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	ZINC000058849049	195384213	/nfs/dbraw/zinc/38/42/13/195384213.db2.gz	SERVUZKOIFVVHX-TYPXCFOJSA-N	-1	1	474.626	6.329	40	10		JKCBMM
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849268	195384219	/nfs/dbraw/zinc/38/42/19/195384219.db2.gz	YHAZUSFWPRBSQE-OREGWCPLSA-N	-1	1	492.597	5.340	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	ZINC000058849148	195384225	/nfs/dbraw/zinc/38/42/25/195384225.db2.gz	RPWGMRFJTOBTRE-ANSQWYIGSA-N	-1	1	491.569	5.621	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	ZINC000058849074	195384244	/nfs/dbraw/zinc/38/42/44/195384244.db2.gz	YTDMXSCRCJYTTJ-LZCXECNNSA-N	-1	1	481.017	6.366	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000058849152	195384340	/nfs/dbraw/zinc/38/43/40/195384340.db2.gz	ZEPSDGVKMUICEN-LZCXECNNSA-N	-1	1	491.569	5.621	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2	ZINC000058849040	195384358	/nfs/dbraw/zinc/38/43/58/195384358.db2.gz	HQDGEROGIWWROC-OREGWCPLSA-N	-1	1	460.599	6.021	40	10		JKCBMM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	ZINC000058849063	195384417	/nfs/dbraw/zinc/38/44/17/195384417.db2.gz	CPDDFOKXROQAAB-ANSQWYIGSA-N	-1	1	481.017	6.366	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2	ZINC000058849709	195384610	/nfs/dbraw/zinc/38/46/10/195384610.db2.gz	ZFDXAUWQACUVQQ-OREGWCPLSA-N	-1	1	460.599	5.939	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2	ZINC000058849716	195384668	/nfs/dbraw/zinc/38/46/68/195384668.db2.gz	RTRPNOOVUSIOGJ-OREGWCPLSA-N	-1	1	460.599	5.939	40	10		JKCBMM
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849762	195384814	/nfs/dbraw/zinc/38/48/14/195384814.db2.gz	SAQIRFLDPIUCJP-OREGWCPLSA-N	-1	1	476.598	5.640	40	10		JKCBMM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	ZINC000058850327	195385380	/nfs/dbraw/zinc/38/53/80/195385380.db2.gz	MDKCMSFMGNDDFU-DFXHWTJYSA-N	-1	1	499.007	6.423	40	10		JKCBMM
CCN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)[N-]C1=S	ZINC000059182243	195393838	/nfs/dbraw/zinc/39/38/38/195393838.db2.gz	RHIZDSRUSXCBSC-RQZCQDPDSA-N	-1	1	458.370	5.483	40	10		JKCBMM
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000016638322	520105371	/nfs/dbraw/zinc/10/53/71/520105371.db2.gz	FVNFFQSWGSHMLV-CJLVFECKSA-N	-1	1	492.062	6.246	40	10		JKCBMM
C[C@@H](Oc1ccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=S)cc1)C(=O)[O-]	ZINC000016322459	525917263	/nfs/dbraw/zinc/91/72/63/525917263.db2.gz	SIUJHRGAGDUHKC-QQMDNXKGSA-N	-1	1	465.314	5.153	40	10		JKCBMM
O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21	ZINC000000847544	553796656	/nfs/dbraw/zinc/79/66/56/553796656.db2.gz	PMHQZTDRWWMSJV-HMAPJEAMSA-N	-1	1	490.300	5.059	40	10		JKCBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)cc1	ZINC000010112128	555624585	/nfs/dbraw/zinc/62/45/85/555624585.db2.gz	IJNSKCAKQJCZNG-UHFFFAOYSA-N	-1	1	477.630	5.025	40	10		JKCBMM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c(C)c1	ZINC000010112136	555624606	/nfs/dbraw/zinc/62/46/06/555624606.db2.gz	IDUVZPCDPWXJAO-UHFFFAOYSA-N	-1	1	491.657	5.333	40	10		JKCBMM
CC(=Nc1cccc(Br)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000020288256	555757056	/nfs/dbraw/zinc/75/70/56/555757056.db2.gz	JGXIJWUCGHUNSR-QNGOZBTKSA-N	-1	1	489.398	6.196	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc(OC)cc3)c(=O)c2C(C)=Nc2ccccc2-c2ccccc2)cc1	ZINC000020289096	555759599	/nfs/dbraw/zinc/75/95/99/555759599.db2.gz	WMDXJAIYUGISCE-ANYBSYGZSA-N	-1	1	489.575	6.508	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3nc4ccccc4s3)c(=O)c2C(C)=Nc2cccc(Cl)c2C)cc1	ZINC000020289122	555759703	/nfs/dbraw/zinc/75/97/03/555759703.db2.gz	CLBCITHLFHZWDJ-KQWNVCNZSA-N	-1	1	489.000	6.404	40	10		JKCBMM
O=C1[N-]C(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	ZINC000015932092	556071064	/nfs/dbraw/zinc/07/10/64/556071064.db2.gz	JSJYLXLSWAQJNO-AUWJEWJLSA-N	-1	1	475.216	5.824	40	10		JKCBMM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	ZINC000100931048	569776321	/nfs/dbraw/zinc/77/63/21/569776321.db2.gz	UETJZXCKWPWXPP-HZHRSRAPSA-N	-1	1	480.977	5.168	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(C)cc2)cc1	ZINC000107805340	569857496	/nfs/dbraw/zinc/85/74/96/569857496.db2.gz	AAFGKUZHPZVOJO-VEILYXNESA-N	-1	1	477.564	5.443	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	ZINC000107892762	569857798	/nfs/dbraw/zinc/85/77/98/569857798.db2.gz	ANXNGUFDAOMSOT-ONUIUJJFSA-N	-1	1	481.527	5.274	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1	ZINC000224796094	569958003	/nfs/dbraw/zinc/95/80/03/569958003.db2.gz	JYMOFCPIEPPTTB-UHFFFAOYSA-N	-1	1	479.646	5.189	40	10		JKCBMM
CCN(CC)c1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])c(OC)c1	ZINC000408630556	569982359	/nfs/dbraw/zinc/98/23/59/569982359.db2.gz	BRPJIGBAZKFOIA-JAIQZWGSSA-N	-1	1	488.997	5.206	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)[O-])n1	ZINC000408631595	569983091	/nfs/dbraw/zinc/98/30/91/569983091.db2.gz	KOWNAHVEYZNBCC-NHDPSOOVSA-N	-1	1	498.967	5.898	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccccc1	ZINC000408632380	569983706	/nfs/dbraw/zinc/98/37/06/569983706.db2.gz	FHSPQBPVYVCUQJ-MOSHPQCFSA-N	-1	1	450.951	5.750	40	10		JKCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000408812714	570049585	/nfs/dbraw/zinc/04/95/85/570049585.db2.gz	NPYKDKGZIFITKR-FBHDLOMBSA-N	-1	1	473.381	6.304	40	10		JKCBMM
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Cl)c1[O-]	ZINC000408903301	570069822	/nfs/dbraw/zinc/06/98/22/570069822.db2.gz	XBJUYWIZZQKGEY-XYOKQWHBSA-N	-1	1	456.770	5.223	40	10		JKCBMM
CCOc1ccc2nc(Sc3ccc(C=C4SC(=S)[N-]C4=O)cc3[N+](=O)[O-])sc2c1	ZINC000408992264	570094327	/nfs/dbraw/zinc/09/43/27/570094327.db2.gz	RCDGCFTXJLMJBC-PXNMLYILSA-N	-1	1	475.598	5.243	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000408993497	570094844	/nfs/dbraw/zinc/09/48/44/570094844.db2.gz	DNHPPEHPVKDGGG-NDENLUEZSA-N	-1	1	467.597	5.642	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000408995080	570095273	/nfs/dbraw/zinc/09/52/73/570095273.db2.gz	IONBDTVLNCWPDG-JMIUGGIZSA-N	-1	1	496.526	5.192	40	10		JKCBMM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)cc1	ZINC000409189861	570161595	/nfs/dbraw/zinc/16/15/95/570161595.db2.gz	JJXXCJRIPSNZCG-UYRXBGFRSA-N	-1	1	494.981	5.021	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1cccc(F)c1	ZINC000408528806	570186923	/nfs/dbraw/zinc/18/69/23/570186923.db2.gz	FJURYQQUEGXZQC-SXGWCWSVSA-N	-1	1	468.369	5.055	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c(OC)c1	ZINC000058849246	195384278	/nfs/dbraw/zinc/38/42/78/195384278.db2.gz	XPKXPCRTNUCONG-LZCXECNNSA-N	-1	1	497.016	5.985	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c(OC)c1	ZINC000058849241	195384322	/nfs/dbraw/zinc/38/43/22/195384322.db2.gz	ZXGXQIWQQGRWKN-ANSQWYIGSA-N	-1	1	497.016	5.985	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c(OC)c1	ZINC000058849227	195384335	/nfs/dbraw/zinc/38/43/35/195384335.db2.gz	CWFOINBLDZKHRA-TYPXCFOJSA-N	-1	1	490.625	5.948	40	10		JKCBMM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c(OC)c1	ZINC000058849236	195384374	/nfs/dbraw/zinc/38/43/74/195384374.db2.gz	ZDVXSZFMGDOPJZ-LZCXECNNSA-N	-1	1	480.561	5.470	40	10		JKCBMM
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849760	195384831	/nfs/dbraw/zinc/38/48/31/195384831.db2.gz	YKPNPGVKMXONBT-OREGWCPLSA-N	-1	1	476.598	5.640	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	ZINC000058849982	195384965	/nfs/dbraw/zinc/38/49/65/195384965.db2.gz	QWJVOGLQVKSEHG-YZUZCNPQSA-N	-1	1	481.961	5.876	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1	ZINC000058850021	195385015	/nfs/dbraw/zinc/38/50/15/195385015.db2.gz	DSZCLJXXVLMPOT-YZUZCNPQSA-N	-1	1	492.513	5.130	40	10		JKCBMM
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849995	195385072	/nfs/dbraw/zinc/38/50/72/195385072.db2.gz	ZGBIVSNONUWAEQ-SGIRGMQISA-N	-1	1	477.542	5.231	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1	ZINC000058850018	195385118	/nfs/dbraw/zinc/38/51/18/195385118.db2.gz	QXWQVCPLZYPEAZ-GLDPYIMESA-N	-1	1	492.513	5.130	40	10		JKCBMM
Cc1ccc2nc(Sc3ccc(C=C4C(=O)[N-]C(=S)N(c5ccccc5F)C4=O)o3)[nH]c2c1	ZINC000059139120	195392400	/nfs/dbraw/zinc/39/24/00/195392400.db2.gz	DBOSFCZEAUIPSI-SDNWHVSQSA-N	-1	1	478.530	5.426	40	10		JKCBMM
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc3c2O)c2ccccc12	ZINC000016807689	525677006	/nfs/dbraw/zinc/67/70/06/525677006.db2.gz	GDZJQVPDVMCMKI-UHFFFAOYSA-N	-1	1	456.567	6.215	40	10		JKCBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2C)cc1	ZINC000013675884	555566998	/nfs/dbraw/zinc/56/69/98/555566998.db2.gz	RISXCEGUXBQAFD-UHFFFAOYSA-N	-1	1	477.630	5.025	40	10		JKCBMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1	ZINC000010112131	555624571	/nfs/dbraw/zinc/62/45/71/555624571.db2.gz	FXHQKNKDSVIAHY-UHFFFAOYSA-N	-1	1	491.657	5.333	40	10		JKCBMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)cc1	ZINC000010112141	555624632	/nfs/dbraw/zinc/62/46/32/555624632.db2.gz	MDOOXOXLHGOEGC-UHFFFAOYSA-N	-1	1	477.630	5.025	40	10		JKCBMM
CC(=Nc1ccc(Cl)cc1C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000020288311	555757356	/nfs/dbraw/zinc/75/73/56/555757356.db2.gz	CIGYSKQYQBNDKT-JWGURIENSA-N	-1	1	458.974	6.395	40	10		JKCBMM
CC(=Nc1cccc(Cl)c1C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000020288309	555757406	/nfs/dbraw/zinc/75/74/06/555757406.db2.gz	WLRBUBNYUCSZDB-JWGURIENSA-N	-1	1	458.974	6.395	40	10		JKCBMM
COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C(C)=Nc2cccc(Cl)c2C)cc1	ZINC000020289125	555759619	/nfs/dbraw/zinc/75/96/19/555759619.db2.gz	SPRUFVNPSADWKA-KQWNVCNZSA-N	-1	1	476.920	5.702	40	10		JKCBMM
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1	ZINC000015013393	555855099	/nfs/dbraw/zinc/85/50/99/555855099.db2.gz	CHONILMKDCDFRI-BOPFTXTBSA-N	-1	1	480.929	5.587	40	10		JKCBMM
Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccccc1	ZINC000026786830	556262939	/nfs/dbraw/zinc/26/29/39/556262939.db2.gz	ZQGFUXPLNQZWAV-UHFFFAOYSA-N	-1	1	480.007	5.111	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc(C)c2)cc1	ZINC000033430857	569626270	/nfs/dbraw/zinc/62/62/70/569626270.db2.gz	XXSQPXUDBCSGLB-VEILYXNESA-N	-1	1	477.564	5.443	40	10		JKCBMM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc3ccccc32)ccc2ccccc21	ZINC000033718986	569631740	/nfs/dbraw/zinc/63/17/40/569631740.db2.gz	RIFTTZFBIWJCEG-USHMODERSA-N	-1	1	470.528	6.033	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000034702972	569649343	/nfs/dbraw/zinc/64/93/43/569649343.db2.gz	IBANDAITPTYYFC-QRQIAZFYSA-N	-1	1	488.547	5.006	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(C)cc1	ZINC000040942119	569834813	/nfs/dbraw/zinc/83/48/13/569834813.db2.gz	MFEQXQYWJRYTQJ-YVLHZVERSA-N	-1	1	464.406	5.224	40	10		JKCBMM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1-c1ccccc1	ZINC000103918990	569839139	/nfs/dbraw/zinc/83/91/39/569839139.db2.gz	DIBZEMCHCGMKJC-BWAHOGKJSA-N	-1	1	452.583	6.852	40	10		JKCBMM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccc(Br)c1	ZINC000103918870	569839174	/nfs/dbraw/zinc/83/91/74/569839174.db2.gz	XZCVRHLDEXUSAH-UYRXBGFRSA-N	-1	1	455.381	5.948	40	10		JKCBMM
O=C(COc1ccc(Cl)cc1C=C1SC(=S)[N-]C1=O)Nc1ccc(Cl)c(Cl)c1	ZINC000106884218	569855846	/nfs/dbraw/zinc/85/58/46/569855846.db2.gz	VGFFRGUCVCKXDZ-GIDUJCDVSA-N	-1	1	473.790	5.153	40	10		JKCBMM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	ZINC000113470198	569861808	/nfs/dbraw/zinc/86/18/08/569861808.db2.gz	HGQGECSLJDDONO-ITYLOYPMSA-N	-1	1	484.600	7.300	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccccc3)c2C)C(=O)[O-])n1	ZINC000408630482	569982327	/nfs/dbraw/zinc/98/23/27/569982327.db2.gz	AEFBTZIGMQQFIW-MTJSOVHGSA-N	-1	1	480.977	5.759	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(N3CCCC3)c(C)c2)C(=O)[O-])n1	ZINC000408630833	569982543	/nfs/dbraw/zinc/98/25/43/569982543.db2.gz	DBEHMSGSCIEWHS-UDWIEESQSA-N	-1	1	470.982	5.260	40	10		JKCBMM
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1	ZINC000225455145	569997528	/nfs/dbraw/zinc/99/75/28/569997528.db2.gz	UGOQCDFMCRBFDE-UHFFFAOYSA-N	-1	1	479.646	5.189	40	10		JKCBMM
Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(-c2ccccc2)cc1	ZINC000408733841	570029848	/nfs/dbraw/zinc/02/98/48/570029848.db2.gz	AYMCXMYBSNIDDW-UHFFFAOYSA-N	-1	1	451.595	7.017	40	10		JKCBMM
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000408771023	570038865	/nfs/dbraw/zinc/03/88/65/570038865.db2.gz	DKDNTGJGIMKUDS-CIAFOILYSA-N	-1	1	483.387	5.760	40	10		JKCBMM
Cc1ccc(N2C(=O)/C(=C\c3ccc([O-])c(Cl)c3)C(=O)N(c3ccccc3)C2=S)cc1C	ZINC000408773406	570039522	/nfs/dbraw/zinc/03/95/22/570039522.db2.gz	QYLPQTXJPRGTEG-MOSHPQCFSA-N	-1	1	462.958	5.411	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	ZINC000408819992	570051654	/nfs/dbraw/zinc/05/16/54/570051654.db2.gz	SLTHQIWOXMKERM-DEDYPNTBSA-N	-1	1	493.679	5.776	40	10		JKCBMM
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)cc4[O-])C3=O)o2)cc1	ZINC000408983421	570091419	/nfs/dbraw/zinc/09/14/19/570091419.db2.gz	BQIANBFTMFEIHM-RCCKNPSSSA-N	-1	1	497.934	6.564	40	10		JKCBMM
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc(C(=O)N2CCCCC2)cc1	ZINC000408526762	570186136	/nfs/dbraw/zinc/18/61/36/570186136.db2.gz	CIOCDFCLMATEJP-QNGOZBTKSA-N	-1	1	481.394	5.102	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	ZINC000408531213	570187968	/nfs/dbraw/zinc/18/79/68/570187968.db2.gz	OWTYYWWNZULAIR-IUXPMGMMSA-N	-1	1	497.425	5.207	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	ZINC000058848894	195383971	/nfs/dbraw/zinc/38/39/71/195383971.db2.gz	MHBCTYVJVBNJFW-ISCCLHIJSA-N	-1	1	460.599	5.939	40	10		JKCBMM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000058848991	195384430	/nfs/dbraw/zinc/38/44/30/195384430.db2.gz	ZXBGFUHRFSAEHT-WZOHSFFVSA-N	-1	1	477.542	5.231	40	10		JKCBMM
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849961	195384742	/nfs/dbraw/zinc/38/47/42/195384742.db2.gz	OTHOHWPIXLHOLI-SGIRGMQISA-N	-1	1	461.543	5.531	40	10		JKCBMM
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000058849766	195384795	/nfs/dbraw/zinc/38/47/95/195384795.db2.gz	KMBDUQOEQDJTAD-SXDGJLEOSA-N	-1	1	490.625	6.030	40	10		JKCBMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1	ZINC000058849974	195384947	/nfs/dbraw/zinc/38/49/47/195384947.db2.gz	MYUBJGSWUOQJJF-YZUZCNPQSA-N	-1	1	465.506	5.361	40	10		JKCBMM
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000058849966	195384959	/nfs/dbraw/zinc/38/49/59/195384959.db2.gz	IKUNGFJUGCJQFY-VRUMLPLGSA-N	-1	1	475.570	5.839	40	10		JKCBMM
Cc1c(C)n(-c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2O)c2ccccc12	ZINC000016779692	525677028	/nfs/dbraw/zinc/67/70/28/525677028.db2.gz	PFBLDFVYOPUCFS-UHFFFAOYSA-N	-1	1	476.985	6.560	40	10		JKCBMM
Nc1cccc(C(=O)Nc2ccc3c(c2)cc(S(=O)(=O)[O-])c(N=Nc2ccccc2)c3O)c1	ZINC000004821521	527514618	/nfs/dbraw/zinc/51/46/18/527514618.db2.gz	BCVMGCIFYYEUCX-CYYJNZCTSA-N	-1	1	462.487	5.042	40	10		JKCBMM
O=S(=O)([N-]c1cc(Cl)c(NS(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1	ZINC000001583202	553979545	/nfs/dbraw/zinc/97/95/45/553979545.db2.gz	UQUFWSDPPOEEPU-UHFFFAOYSA-N	-1	1	472.975	5.095	40	10		JKCBMM
CC(=Nc1cccc(Br)c1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000020288258	555757108	/nfs/dbraw/zinc/75/71/08/555757108.db2.gz	IXQMTKACSPDFJP-QNGOZBTKSA-N	-1	1	477.318	5.494	40	10		JKCBMM
COc1ccc(-n2[n-]c(-c3ccccc3)c(C(C)=Nc3ccccc3-c3ccccc3)c2=O)cc1	ZINC000020288295	555757421	/nfs/dbraw/zinc/75/74/21/555757421.db2.gz	UHWRLOSZEASDFR-HFTWOUSFSA-N	-1	1	459.549	6.499	40	10		JKCBMM
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(Cl)ccc2[O-])cc1	ZINC000019325732	556341305	/nfs/dbraw/zinc/34/13/05/556341305.db2.gz	NDUYUHINKLBXEP-UHFFFAOYSA-N	-1	1	452.982	5.470	40	10		JKCBMM
CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2cc(Cl)ccc2[O-])cc1	ZINC000019326955	556341766	/nfs/dbraw/zinc/34/17/66/556341766.db2.gz	QKLDPHPYCITZAF-UHFFFAOYSA-N	-1	1	479.068	5.584	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	ZINC000033741755	569633106	/nfs/dbraw/zinc/63/31/06/569633106.db2.gz	IXTPNWGAJZKXNT-ONUIUJJFSA-N	-1	1	497.982	5.788	40	10		JKCBMM
Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc(F)c2)cc1	ZINC000035375247	569684437	/nfs/dbraw/zinc/68/44/37/569684437.db2.gz	CHHSKVCAMRVNCK-PKAZHMFMSA-N	-1	1	481.527	5.274	40	10		JKCBMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000040942100	569834792	/nfs/dbraw/zinc/83/47/92/569834792.db2.gz	ZDXPJISSKFPYPG-NVNXTCNLSA-N	-1	1	470.797	5.179	40	10		JKCBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000040942116	569834876	/nfs/dbraw/zinc/83/48/76/569834876.db2.gz	LHTZSJTZNLGQSP-SXGWCWSVSA-N	-1	1	484.824	5.569	40	10		JKCBMM
CC(=Nc1ccc(Cl)c(Cl)c1)c1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccccc1	ZINC000103920987	569839267	/nfs/dbraw/zinc/83/92/67/569839267.db2.gz	UHHOLNFACXLELV-STZFKDTASA-N	-1	1	467.312	6.039	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)cc(S(=O)(=O)[O-])c(N=Nc1ccc(N=Nc3ccccc3)cc1)c2O	ZINC000104045310	569840107	/nfs/dbraw/zinc/84/01/07/569840107.db2.gz	AIHPHBBNLJQATD-KVZOUHTRSA-N	-1	1	489.513	6.581	40	10		JKCBMM
CC(=O)Nc1ccc2c(c1)C=C(S(=O)(=O)[O-])C(=NN=C1C=CC(=NNc3ccccc3)C=C1)C2=O	ZINC000104045310	569840109	/nfs/dbraw/zinc/84/01/09/569840109.db2.gz	AIHPHBBNLJQATD-KVZOUHTRSA-N	-1	1	489.513	6.581	40	10		JKCBMM
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C([O-])=CC1=O	ZINC000104090770	569840637	/nfs/dbraw/zinc/84/06/37/569840637.db2.gz	BQOPZZKSXKNQIW-DQSJHHFOSA-N	-1	1	483.594	5.844	40	10		JKCBMM
CCCCCCC1=CC(=NNc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)C(=O)C=C1[O-]	ZINC000104090770	569840638	/nfs/dbraw/zinc/84/06/38/569840638.db2.gz	BQOPZZKSXKNQIW-DQSJHHFOSA-N	-1	1	483.594	5.844	40	10		JKCBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[O-])n1	ZINC000408633496	569984610	/nfs/dbraw/zinc/98/46/10/569984610.db2.gz	ZDTSOUPYEIQYDG-UUYOSTAYSA-N	-1	1	495.004	6.067	40	10		JKCBMM
Cc1cc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000408634444	569985144	/nfs/dbraw/zinc/98/51/44/569985144.db2.gz	RHXGAQTXIWLABY-NDENLUEZSA-N	-1	1	495.948	5.659	40	10		JKCBMM
Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(C)n1-c1ccc(Br)cc1	ZINC000408734503	570029883	/nfs/dbraw/zinc/02/98/83/570029883.db2.gz	HCUMWVWXXKOQPV-UHFFFAOYSA-N	-1	1	454.393	6.113	40	10		JKCBMM
CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3SC(=S)[N-]C3=O)c2-c2ccccc2)cc1	ZINC000408743701	570032960	/nfs/dbraw/zinc/03/29/60/570032960.db2.gz	ULTAGQUVRNXSKN-BWAHOGKJSA-N	-1	1	482.630	6.699	40	10		JKCBMM
O=S(=O)([N-]c1ccc(/N=N/c2ccccc2)cc1)c1ccc(I)cc1	ZINC000226855426	570038915	/nfs/dbraw/zinc/03/89/15/570038915.db2.gz	IYNFGWLFOFFJHP-QZQOTICOSA-N	-1	1	463.300	5.507	40	10		JKCBMM
Cc1cccc(COc2c(Br)cc(C=C3SC(=S)[N-]C3=O)cc2Br)c1	ZINC000408923563	570078042	/nfs/dbraw/zinc/07/80/42/570078042.db2.gz	JOAVKMDAKVFUCF-NVNXTCNLSA-N	-1	1	499.249	5.588	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	ZINC000408995032	570095228	/nfs/dbraw/zinc/09/52/28/570095228.db2.gz	KWUULFMPSAMBGL-MTJSOVHGSA-N	-1	1	455.004	5.815	40	10		JKCBMM
Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000408998139	570095703	/nfs/dbraw/zinc/09/57/03/570095703.db2.gz	IDNUBJAZZAJVLA-MTJSOVHGSA-N	-1	1	499.455	5.924	40	10		JKCBMM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	ZINC000408528066	570186735	/nfs/dbraw/zinc/18/67/35/570186735.db2.gz	FCFLGZBAUJMNCZ-ONUIUJJFSA-N	-1	1	468.601	5.412	40	10		JKCBMM