smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(C)=O)OCO3)cc1	ZINC000001351281	551647248	/nfs/dbraw/zinc/64/72/48/551647248.db2.gz	DNOAEDRSGBQHBZ-UHFFFAOYSA-N	-1	0	516.597	3.630	40	0		KHABRM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000001505690	551683275	/nfs/dbraw/zinc/68/32/75/551683275.db2.gz	ZEHYBFIGHOHRPX-YFKPBYRVSA-N	-1	0	600.843	3.752	40	0		KHABRM
O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O	ZINC000001505697	551683258	/nfs/dbraw/zinc/68/32/58/551683258.db2.gz	ZEHYBFIGHOHRPX-RXMQYKEDSA-N	-1	0	600.843	3.752	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)n1	ZINC000001506201	551683215	/nfs/dbraw/zinc/68/32/15/551683215.db2.gz	GPXYZRFNJACULU-UHFFFAOYSA-N	-1	0	508.341	3.751	40	0		KHABRM
Cc1ccc(S(=O)(=O)[N-]c2ccc[n+](-c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)c2)cc1	ZINC000002374253	552105971	/nfs/dbraw/zinc/10/59/71/552105971.db2.gz	GQDWXAMZHTWHRS-UHFFFAOYSA-N	-1	0	532.627	3.817	40	0		KHABRM
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1cccs1	ZINC000002393602	552109432	/nfs/dbraw/zinc/10/94/32/552109432.db2.gz	GQGIKIBCOCHRSS-UHFFFAOYSA-N	-1	0	529.673	3.965	40	0		KHABRM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1	ZINC000003096215	552287211	/nfs/dbraw/zinc/28/72/11/552287211.db2.gz	TVBCIWFWERGJNT-AWNIVKPZSA-N	-1	0	511.629	3.936	40	0		KHABRM
O=C(NC(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000003103228	552288496	/nfs/dbraw/zinc/28/84/96/552288496.db2.gz	OYZUPRNQPGLCSK-UHFFFAOYSA-N	-1	0	519.427	3.940	40	0		KHABRM
CO[C@H]1[C@@H](OC(N)=O)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000003831231	552419495	/nfs/dbraw/zinc/41/94/95/552419495.db2.gz	YJQPYGGHQPGBLI-YEQSYCJSSA-N	-1	0	612.632	3.627	40	0	world	KHABRM
CO[C@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000003831232	552419411	/nfs/dbraw/zinc/41/94/11/552419411.db2.gz	YJQPYGGHQPGBLI-YQASLYCHSA-N	-1	0	612.632	3.627	40	0		KHABRM
CO[C@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000003831233	552419670	/nfs/dbraw/zinc/41/96/70/552419670.db2.gz	YJQPYGGHQPGBLI-LSGWAJPXSA-N	-1	0	612.632	3.627	40	0		KHABRM
CO[C@H]1[C@@H](OC(N)=O)[C@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000003831234	552419598	/nfs/dbraw/zinc/41/95/98/552419598.db2.gz	YJQPYGGHQPGBLI-UEQJIGKFSA-N	-1	0	612.632	3.627	40	0		KHABRM
Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)NCc2ccco2)cc1	ZINC000004150044	1066881213	/nfs/dbraw/zinc/88/12/13/1066881213.db2.gz	KMXYXCJDDYMQRD-PEDAOZHASA-N	-1	0	573.737	3.967	40	0	biogenic,in-vitro	KHABRM
O=C([O-])c1cccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c(NS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc23)c1	ZINC000004150059	552443178	/nfs/dbraw/zinc/44/31/78/552443178.db2.gz	RXYIMLXJHNYSHZ-MAUKXSAKSA-N	-1	0	561.538	3.626	40	0	biogenic,in-vitro	KHABRM
CCN(C(C)=O)c1c(I)cc(I)c(OCCO[C@H](C)C(=O)[O-])c1I	ZINC000004213574	552449519	/nfs/dbraw/zinc/44/95/19/552449519.db2.gz	HCPRJARHRUCLBG-MRVPVSSYSA-N	-1	0	673.023	3.742	40	0	in-man	KHABRM
CC[C@@H](Oc1c(I)cc(I)cc1I)C(=O)[O-]	ZINC000004214140	552449780	/nfs/dbraw/zinc/44/97/80/552449780.db2.gz	VYAGDYWTCWDKIS-MRVPVSSYSA-N	-1	0	557.891	3.742	40	0	in-man	KHABRM
CCC(=O)Nc1c(I)c(NC(=O)CC)c(I)c(C(=O)[O-])c1I	ZINC000004215698	552450018	/nfs/dbraw/zinc/45/00/18/552450018.db2.gz	OIXRDAZPDINJPT-UHFFFAOYSA-N	-1	0	641.969	3.896	40	0	in-man	KHABRM
CCN(C(C)=O)c1c(I)cc(I)c(CCC(=O)[O-])c1I	ZINC000004216611	552450049	/nfs/dbraw/zinc/45/00/49/552450049.db2.gz	LLLMGEDYKIIGPY-UHFFFAOYSA-N	-1	0	612.971	3.890	40	0	in-man	KHABRM
CC(C)(CC(=O)[O-])CC(=O)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@@H]2C1	ZINC000004236419	291803964	/nfs/dbraw/zinc/80/39/64/291803964.db2.gz	QPBQCRDIPKYGKY-FQEVSTJZSA-N	-1	0	517.504	3.869	40	0	biogenic,in-vitro	KHABRM
COc1ccc(CN2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]3[C@H]2CCN3C(=O)CCC(=O)[O-])cc1	ZINC000004260465	291816847	/nfs/dbraw/zinc/81/68/47/291816847.db2.gz	CYMQVOBCAUMJDH-KNQAVFIVSA-N	-1	0	519.476	3.517	40	0	biogenic,in-vitro	KHABRM
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NOC2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@@H]12	ZINC000004292500	552456649	/nfs/dbraw/zinc/45/66/49/552456649.db2.gz	RTVOULDYLGYXQU-CVDCTZTESA-N	-1	0	565.380	3.555	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000004470176	552461615	/nfs/dbraw/zinc/46/16/15/552461615.db2.gz	MMDPCPJPTJRWJM-LRNOEHBCSA-N	-1	0	584.650	3.798	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000004470178	552461558	/nfs/dbraw/zinc/46/15/58/552461558.db2.gz	MMDPCPJPTJRWJM-LTHLYLQDSA-N	-1	0	584.650	3.798	40	0		KHABRM
COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543686	1066881091	/nfs/dbraw/zinc/88/10/91/1066881091.db2.gz	ZGIVSINMMBIEBQ-DTXPUJKBSA-N	-1	0	644.677	3.935	40	0		KHABRM
COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543688	1066880828	/nfs/dbraw/zinc/88/08/28/1066880828.db2.gz	ZGIVSINMMBIEBQ-OIFRRMEBSA-N	-1	0	644.677	3.935	40	0		KHABRM
COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543689	1066881237	/nfs/dbraw/zinc/88/12/37/1066881237.db2.gz	ZGIVSINMMBIEBQ-NGDRWEMDSA-N	-1	0	644.677	3.935	40	0		KHABRM
COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OC(=O)CCC(=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000004543691	1066880850	/nfs/dbraw/zinc/88/08/50/1066880850.db2.gz	ZGIVSINMMBIEBQ-DYIKCSJPSA-N	-1	0	644.677	3.935	40	0		KHABRM
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)c3ccccc3C(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000004782969	552481897	/nfs/dbraw/zinc/48/18/97/552481897.db2.gz	IXWWPLWYUPGNIQ-JYVYKJRCSA-N	-1	0	562.527	3.972	40	0		KHABRM
COc1ccc(Oc2c(I)cc(C[C@@H](NC(C)=O)C(=O)[O-])cc2I)cc1	ZINC000004900796	552489323	/nfs/dbraw/zinc/48/93/23/552489323.db2.gz	BFCLKBBUOZJXOQ-MRXNPFEDSA-N	-1	0	581.144	3.829	40	0		KHABRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000004914459	552489296	/nfs/dbraw/zinc/48/92/96/552489296.db2.gz	SZPVITTWZIPPKT-BJKOFHAPSA-N	-1	0	508.596	3.733	40	0		KHABRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000004914464	552489248	/nfs/dbraw/zinc/48/92/48/552489248.db2.gz	SZPVITTWZIPPKT-RPWUZVMVSA-N	-1	0	508.596	3.733	40	0		KHABRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000004914474	552489347	/nfs/dbraw/zinc/48/93/47/552489347.db2.gz	SZPVITTWZIPPKT-DNQXCXABSA-N	-1	0	508.596	3.733	40	0		KHABRM
O=C([O-])CC[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000004916361	552489498	/nfs/dbraw/zinc/48/94/98/552489498.db2.gz	CLJOCPIDNYOSAI-SXOMAYOGSA-N	-1	0	590.629	3.898	40	0		KHABRM
O=C([O-])CC[C@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000004916365	552489541	/nfs/dbraw/zinc/48/95/41/552489541.db2.gz	CLJOCPIDNYOSAI-SVBPBHIXSA-N	-1	0	590.629	3.898	40	0		KHABRM
O=C([O-])CC[C@@H](NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000004916369	552489480	/nfs/dbraw/zinc/48/94/80/552489480.db2.gz	CLJOCPIDNYOSAI-KAYWLYCHSA-N	-1	0	590.629	3.898	40	0		KHABRM
O=C([O-])CC[C@H](NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000004916374	552489545	/nfs/dbraw/zinc/48/95/45/552489545.db2.gz	CLJOCPIDNYOSAI-RRPNLBNLSA-N	-1	0	590.629	3.898	40	0		KHABRM
CC(=O)CCC(=O)O[C@H]1C[C@H](n2cnc3c2NC=N[C@@H]3NC(=O)c2ccccc2)O[C@@H]1O[P@@](=O)([O-])Oc1ccc(Cl)cc1	ZINC000005225312	552495565	/nfs/dbraw/zinc/49/55/65/552495565.db2.gz	BFXPUCOJJXHAIP-GMQDUPROSA-N	-1	0	631.966	3.950	40	0		KHABRM
CC(=O)CCC(=O)O[C@@H]1C[C@@H](n2cnc3c2NC=N[C@@H]3NC(=O)c2ccccc2)O[C@@H]1O[P@@](=O)([O-])Oc1ccc(Cl)cc1	ZINC000005225317	552495538	/nfs/dbraw/zinc/49/55/38/552495538.db2.gz	BFXPUCOJJXHAIP-MIDQIFMJSA-N	-1	0	631.966	3.950	40	0		KHABRM
CC(=O)CCC(=O)O[C@H]1C[C@@H](n2cnc3c2NC=N[C@@H]3NC(=O)c2ccccc2)O[C@@H]1O[P@@](=O)([O-])Oc1ccc(Cl)cc1	ZINC000005225322	552495525	/nfs/dbraw/zinc/49/55/25/552495525.db2.gz	BFXPUCOJJXHAIP-DWBNTRNDSA-N	-1	0	631.966	3.950	40	0		KHABRM
CCOC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)c1ccccc1	ZINC000005543485	552504578	/nfs/dbraw/zinc/50/45/78/552504578.db2.gz	LMPGZRBXGQHUBL-OAHLLOKOSA-N	-1	0	565.145	3.506	40	0		KHABRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	ZINC000005706744	552507213	/nfs/dbraw/zinc/50/72/13/552507213.db2.gz	XSADEJIPSOWZKA-DQEYMECFSA-N	-1	0	501.539	3.523	40	0		KHABRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	ZINC000005706745	552507166	/nfs/dbraw/zinc/50/71/66/552507166.db2.gz	XSADEJIPSOWZKA-RPBOFIJWSA-N	-1	0	501.539	3.523	40	0		KHABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	ZINC000005706746	552507201	/nfs/dbraw/zinc/50/72/01/552507201.db2.gz	XSADEJIPSOWZKA-LOSJGSFVSA-N	-1	0	501.539	3.523	40	0		KHABRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	ZINC000005706747	552507190	/nfs/dbraw/zinc/50/71/90/552507190.db2.gz	XSADEJIPSOWZKA-JWQCQUIFSA-N	-1	0	501.539	3.523	40	0		KHABRM
CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1)C(F)(F)F	ZINC000005729398	552507695	/nfs/dbraw/zinc/50/76/95/552507695.db2.gz	VIHLCHVCVNYURN-HSZRJFAPSA-N	-1	0	551.547	3.558	40	0		KHABRM
O=C([O-])C(SC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12)SC1=NC(=O)C2(NN1)c1ccccc1-c1ccccc12	ZINC000005853738	552511059	/nfs/dbraw/zinc/51/10/59/552511059.db2.gz	JIUUFYISWANEQK-UHFFFAOYSA-N	-1	0	618.700	3.693	40	0		KHABRM
CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1)C(F)(F)F	ZINC000006023748	552520260	/nfs/dbraw/zinc/52/02/60/552520260.db2.gz	VIHLCHVCVNYURN-QHCPKHFHSA-N	-1	0	551.547	3.558	40	0		KHABRM
Cc1nc2ccc(S(=O)(=O)[O-])cc2c(=O)n1-c1ccc(C(=O)NN2C(=O)CS[C@H]2c2cccc(Br)c2)cc1	ZINC000006040279	552520840	/nfs/dbraw/zinc/52/08/40/552520840.db2.gz	DCDKOQTXVVTOOC-VWLOTQADSA-N	-1	0	615.487	3.622	40	0		KHABRM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Br)cc2)cc1	ZINC000006088717	552530448	/nfs/dbraw/zinc/53/04/48/552530448.db2.gz	DTBDYHKVWSEXNC-NYYWCZLTSA-N	-1	0	548.444	3.575	40	0		KHABRM
COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4c(C)nc5ncccn54)cs3)cc2)nc(OC)n1	ZINC000006088815	552530707	/nfs/dbraw/zinc/53/07/07/552530707.db2.gz	BYXWQRBPPYYJPI-UHFFFAOYSA-N	-1	0	524.588	3.513	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccccc4)C3=O)cc2)n1	ZINC000006088833	552530623	/nfs/dbraw/zinc/53/06/23/552530623.db2.gz	BASVKEFBLMNVRK-MOSHPQCFSA-N	-1	0	523.596	3.569	40	0		KHABRM
O=C(OC[C@H]1O[C@@H](n2ncc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000006143110	552544888	/nfs/dbraw/zinc/54/48/88/552544888.db2.gz	SZFMEFKXFONLHR-DDKRZIBASA-N	-1	0	573.583	3.506	40	0		KHABRM
O=C(OC[C@@H]1O[C@@H](n2ncc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000006143113	552544864	/nfs/dbraw/zinc/54/48/64/552544864.db2.gz	SZFMEFKXFONLHR-BELIEFIBSA-N	-1	0	573.583	3.506	40	0		KHABRM
O=C(OC[C@H]1O[C@@H](n2ncc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000006143114	552544825	/nfs/dbraw/zinc/54/48/25/552544825.db2.gz	SZFMEFKXFONLHR-MJTJJFPGSA-N	-1	0	573.583	3.506	40	0		KHABRM
O=C(OC[C@@H]1O[C@@H](n2ncc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000006143115	552544832	/nfs/dbraw/zinc/54/48/32/552544832.db2.gz	SZFMEFKXFONLHR-UHRQBARKSA-N	-1	0	573.583	3.506	40	0		KHABRM
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000006172269	552558634	/nfs/dbraw/zinc/55/86/34/552558634.db2.gz	FUAXUTONTYSFHP-IMEWXKHHSA-N	-1	0	508.621	3.607	40	0		KHABRM
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000006172362	552558612	/nfs/dbraw/zinc/55/86/12/552558612.db2.gz	FUAXUTONTYSFHP-WVWKGNOCSA-N	-1	0	508.621	3.607	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000006227669	193873035	/nfs/dbraw/zinc/87/30/35/193873035.db2.gz	GQFTXVMUDVHCTA-KMBIYUNPSA-N	-1	0	574.611	3.774	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000006227670	193872830	/nfs/dbraw/zinc/87/28/30/193872830.db2.gz	GQFTXVMUDVHCTA-GVMLUORFSA-N	-1	0	574.611	3.774	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000008451820	553062244	/nfs/dbraw/zinc/06/22/44/553062244.db2.gz	YKWIISVGIPXVLP-LPYMAVHISA-N	-1	0	515.522	3.812	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000008575623	553078027	/nfs/dbraw/zinc/07/80/27/553078027.db2.gz	RTLCOTTVJUQUDY-XXMKCSCWSA-N	-1	0	544.585	3.765	40	0		KHABRM
Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(C)c2c1OC(C)(C)CC2	ZINC000008660390	553108917	/nfs/dbraw/zinc/10/89/17/553108917.db2.gz	FOBDSZYESKTHJZ-JOCHJYFZSA-N	-1	0	574.700	3.678	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1	ZINC000008810763	553148822	/nfs/dbraw/zinc/14/88/22/553148822.db2.gz	HFEIJVNSKKDISP-UHFFFAOYSA-N	-1	0	506.483	3.822	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1	ZINC000008810928	553148772	/nfs/dbraw/zinc/14/87/72/553148772.db2.gz	DOBWJICDZXWABU-UHFFFAOYSA-N	-1	0	506.483	3.822	40	0		KHABRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1	ZINC000008832838	553158623	/nfs/dbraw/zinc/15/86/23/553158623.db2.gz	VJPHAZZYXMVZEM-UHFFFAOYSA-N	-1	0	506.403	3.554	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000009323889	553241503	/nfs/dbraw/zinc/24/15/03/553241503.db2.gz	CDYLHLLQQBRQTD-CIAFOILYSA-N	-1	0	519.485	3.643	40	0		KHABRM
CCOc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Cl)c1OCC(=O)[O-]	ZINC000010118656	553329479	/nfs/dbraw/zinc/32/94/79/553329479.db2.gz	HNXNKOLLTVMBDJ-ZVBGSRNCSA-N	-1	0	502.692	3.571	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1	ZINC000010315218	553333232	/nfs/dbraw/zinc/33/32/32/553333232.db2.gz	WJVXSOWGAYFMHK-UHFFFAOYSA-N	-1	0	503.602	3.737	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1	ZINC000010362886	553335453	/nfs/dbraw/zinc/33/54/53/553335453.db2.gz	JXABNUXFWOBNKL-UHFFFAOYSA-N	-1	0	503.602	3.737	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1	ZINC000010370697	553335892	/nfs/dbraw/zinc/33/58/92/553335892.db2.gz	HQQZICZYYYCXCM-UHFFFAOYSA-N	-1	0	503.602	3.737	40	0		KHABRM
CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1	ZINC000012485002	553377274	/nfs/dbraw/zinc/37/72/74/553377274.db2.gz	UTRITMNEQAFCHO-UHFFFAOYSA-N	-1	0	505.662	3.677	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)ccc2Cl)c(C)c1	ZINC000012631569	553405629	/nfs/dbraw/zinc/40/56/29/553405629.db2.gz	IFOQWZZEYNJKID-IAAUVJCUSA-N	-1	0	514.003	3.503	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000013679530	553483810	/nfs/dbraw/zinc/48/38/10/553483810.db2.gz	ICHKNAICKWEZQC-UHFFFAOYSA-N	-1	0	514.610	3.997	40	0		KHABRM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1	ZINC000013959416	553497748	/nfs/dbraw/zinc/49/77/48/553497748.db2.gz	IYSCPNWELIZLAB-DOEKTCAHSA-N	-1	0	506.566	3.920	40	0		KHABRM
Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O	ZINC000013959438	553497742	/nfs/dbraw/zinc/49/77/42/553497742.db2.gz	ONHOSMOWWQDRKT-SCTDOJESSA-N	-1	0	506.566	3.975	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1	ZINC000013959677	553497917	/nfs/dbraw/zinc/49/79/17/553497917.db2.gz	TYBYZVMWOIUZKT-FXVJXKIMSA-N	-1	0	522.565	3.675	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	ZINC000014154260	553504172	/nfs/dbraw/zinc/50/41/72/553504172.db2.gz	BAHHTIPGVSSKTI-GOSISDBHSA-N	-1	0	517.629	3.598	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	ZINC000014154261	553504177	/nfs/dbraw/zinc/50/41/77/553504177.db2.gz	BAHHTIPGVSSKTI-SFHVURJKSA-N	-1	0	517.629	3.598	40	0		KHABRM
Cc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(I)cc1	ZINC000014276402	553509259	/nfs/dbraw/zinc/50/92/59/553509259.db2.gz	LUZFANONBZMALS-UHFFFAOYSA-N	-1	0	509.398	3.742	40	0		KHABRM
Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(C)(=O)=O)c1	ZINC000014398497	553515022	/nfs/dbraw/zinc/51/50/22/553515022.db2.gz	CAEGKZBBCJVGHR-UHFFFAOYSA-N	-1	0	522.674	3.746	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1C(=O)N1CCC(C)CC1	ZINC000014399249	553515271	/nfs/dbraw/zinc/51/52/71/553515271.db2.gz	UEPJXKJXTYIWOB-UHFFFAOYSA-N	-1	0	522.627	3.693	40	0		KHABRM
O=C(CN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2[O-])C1=O)N1CCCCC1	ZINC000015052801	553527145	/nfs/dbraw/zinc/52/71/45/553527145.db2.gz	SPLRZARWUOWTTK-QPEQYQDCSA-N	-1	0	504.200	3.966	40	0		KHABRM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000015721257	553534748	/nfs/dbraw/zinc/53/47/48/553534748.db2.gz	WVSBQFKNHQTXCY-XZOQPEGZSA-N	-1	0	513.591	3.604	40	0		KHABRM
CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]S(=O)(=O)c1nnc(-c2ccccc2Cl)s1	ZINC000016186616	553555989	/nfs/dbraw/zinc/55/59/89/553555989.db2.gz	PVVLUYMSGYCMQT-UHFFFAOYSA-N	-1	0	509.034	3.745	40	0		KHABRM
COC(=O)c1cc(NC(=O)c2cc(I)c3ccccc3c2[O-])cc(C(=O)OC)c1	ZINC000016194022	553556311	/nfs/dbraw/zinc/55/63/11/553556311.db2.gz	OOTSEDWMNDQVAT-UHFFFAOYSA-N	-1	0	505.264	3.976	40	0		KHABRM
Cc1cc(OCC(=O)NC(=S)Nc2ccc(I)cc2C(=O)[O-])ccc1Cl	ZINC000016282315	553558394	/nfs/dbraw/zinc/55/83/94/553558394.db2.gz	AWHAWVKZURHICL-UHFFFAOYSA-N	-1	0	504.733	3.843	40	0		KHABRM
Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(I)cc1C(=O)[O-]	ZINC000016283105	553558455	/nfs/dbraw/zinc/55/84/55/553558455.db2.gz	VQSNHJVJJNOUMC-UHFFFAOYSA-N	-1	0	504.733	3.843	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1cccc(Br)c1	ZINC000016386159	553562067	/nfs/dbraw/zinc/56/20/67/553562067.db2.gz	VIJNTMVPOCHFPS-UHFFFAOYSA-N	-1	0	505.131	3.879	40	0		KHABRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1cccc(I)c1	ZINC000016399211	553562417	/nfs/dbraw/zinc/56/24/17/553562417.db2.gz	VTSZENFKOIRAJL-UHFFFAOYSA-N	-1	0	505.131	3.879	40	0		KHABRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(I)cc1	ZINC000016400883	553562670	/nfs/dbraw/zinc/56/26/70/553562670.db2.gz	KBGJEEANGZHXSH-UHFFFAOYSA-N	-1	0	505.131	3.879	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccc(Br)cc1	ZINC000016400902	553562685	/nfs/dbraw/zinc/56/26/85/553562685.db2.gz	WQJBXXMRJZEAFS-UHFFFAOYSA-N	-1	0	505.131	3.879	40	0		KHABRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1I	ZINC000016449294	553565150	/nfs/dbraw/zinc/56/51/50/553565150.db2.gz	HVKXBRIFBKCSKF-UHFFFAOYSA-N	-1	0	505.131	3.879	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccccc1Br	ZINC000016449302	553565089	/nfs/dbraw/zinc/56/50/89/553565089.db2.gz	BUOMXULTWXFUAN-UHFFFAOYSA-N	-1	0	505.131	3.879	40	0		KHABRM
Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2C)c1	ZINC000016788929	553582342	/nfs/dbraw/zinc/58/23/42/553582342.db2.gz	ZSYAGFUQYHNCGR-UHFFFAOYSA-N	-1	0	500.631	3.779	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000018252428	553611535	/nfs/dbraw/zinc/61/15/35/553611535.db2.gz	ZRKNTBZKTMDLDC-DMTNHVFBSA-N	-1	0	526.528	3.505	40	0		KHABRM
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)[O-])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000019855640	553624374	/nfs/dbraw/zinc/62/43/74/553624374.db2.gz	VZIYFOUZRMMDLD-LQKURTRISA-N	-1	0	509.628	3.769	40	0		KHABRM
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)[O-])cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000019855721	553624411	/nfs/dbraw/zinc/62/44/11/553624411.db2.gz	UVQPXVPIYZIZJZ-LQKURTRISA-N	-1	0	509.628	3.769	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1Br	ZINC000019857002	553628686	/nfs/dbraw/zinc/62/86/86/553628686.db2.gz	GNIULMBTCABRFP-UHFFFAOYSA-N	-1	0	504.409	3.516	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000019934680	553636342	/nfs/dbraw/zinc/63/63/42/553636342.db2.gz	PWGRRNDHLYQIAW-UHFFFAOYSA-N	-1	0	521.020	3.573	40	0		KHABRM
O=C([O-])c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1	ZINC000019952995	553647793	/nfs/dbraw/zinc/64/77/93/553647793.db2.gz	URBJNUQFZCJKLN-MZJWZYIUSA-N	-1	0	505.474	3.749	40	0		KHABRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000020037590	553667926	/nfs/dbraw/zinc/66/79/26/553667926.db2.gz	NJSBRVAPXDCWQY-UHFFFAOYSA-N	-1	0	514.629	3.618	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1	ZINC000020060747	553672408	/nfs/dbraw/zinc/67/24/08/553672408.db2.gz	PBPPJDMWPQZIMJ-UHFFFAOYSA-N	-1	0	517.629	3.518	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1	ZINC000020061199	553674499	/nfs/dbraw/zinc/67/44/99/553674499.db2.gz	QAUQYQWBIJTLKC-UHFFFAOYSA-N	-1	0	517.629	3.518	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000020106289	553689999	/nfs/dbraw/zinc/68/99/99/553689999.db2.gz	CFWFRWHRIZNLRG-OAQYLSRUSA-N	-1	0	523.036	3.719	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000020106291	553690024	/nfs/dbraw/zinc/69/00/24/553690024.db2.gz	CFWFRWHRIZNLRG-NRFANRHFSA-N	-1	0	523.036	3.719	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Br)c(C)c3)cc2)n1	ZINC000020106305	553689960	/nfs/dbraw/zinc/68/99/60/553689960.db2.gz	LRSIFNQFLCXAIE-UHFFFAOYSA-N	-1	0	505.394	3.983	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)c1	ZINC000020107254	553690196	/nfs/dbraw/zinc/69/01/96/553690196.db2.gz	RZTNEQPMAUHYQT-UHFFFAOYSA-N	-1	0	511.600	3.589	40	0		KHABRM
O=C([O-])c1ccc(CNC(=O)c2cc(I)ccc2I)cc1	ZINC000020139307	553594426	/nfs/dbraw/zinc/59/44/26/553594426.db2.gz	XDQHZWBCHNLNPR-UHFFFAOYSA-N	-1	0	507.065	3.524	40	0		KHABRM
O=C([O-])Cc1ccc(NC(=O)c2cc(I)ccc2I)cc1	ZINC000020139310	553594416	/nfs/dbraw/zinc/59/44/16/553594416.db2.gz	XREJLFYUHLQOEL-UHFFFAOYSA-N	-1	0	507.065	3.775	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)c2cc(I)ccc2I)cc1O	ZINC000020139313	553594367	/nfs/dbraw/zinc/59/43/67/553594367.db2.gz	LHBUJWLKLSQYGO-UHFFFAOYSA-N	-1	0	509.037	3.552	40	0		KHABRM
O=C([O-])c1cc(NC(=O)c2cc(I)ccc2I)ccc1O	ZINC000020139316	553594343	/nfs/dbraw/zinc/59/43/43/553594343.db2.gz	DOCXDWWKXZRVSV-UHFFFAOYSA-N	-1	0	509.037	3.552	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000020450570	553651048	/nfs/dbraw/zinc/65/10/48/553651048.db2.gz	DOLXEJPZHIOGIR-HXUWFJFHSA-N	-1	0	523.036	3.719	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000020450572	553651055	/nfs/dbraw/zinc/65/10/55/553651055.db2.gz	DOLXEJPZHIOGIR-FQEVSTJZSA-N	-1	0	523.036	3.719	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	ZINC000020451725	553651256	/nfs/dbraw/zinc/65/12/56/553651256.db2.gz	HZJYHMMFTYWBSC-UHFFFAOYSA-N	-1	0	508.581	3.936	40	0		KHABRM
CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(C)(=O)=O)cc1	ZINC000020453402	553651933	/nfs/dbraw/zinc/65/19/33/553651933.db2.gz	LXPPMFKUDNDZCW-UHFFFAOYSA-N	-1	0	516.645	3.585	40	0		KHABRM
Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(C)(=O)=O)cc1C	ZINC000020453959	553652262	/nfs/dbraw/zinc/65/22/62/553652262.db2.gz	JVQBGQYEHAPOSE-UHFFFAOYSA-N	-1	0	516.645	3.684	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000020460897	553655512	/nfs/dbraw/zinc/65/55/12/553655512.db2.gz	MQKGBXORLGJAGZ-UHFFFAOYSA-N	-1	0	508.581	3.936	40	0		KHABRM
O=C([O-])C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1CC[NH+]1CCC(C(=O)[O-])CC1	ZINC000020462902	291821722	/nfs/dbraw/zinc/82/17/22/291821722.db2.gz	OWOPNLFIHRUWKR-IRXDYDNUSA-N	-1	0	501.502	3.717	40	0	biogenic,in-vitro	KHABRM
Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O	ZINC000020481051	553657717	/nfs/dbraw/zinc/65/77/17/553657717.db2.gz	LVYGVKBHMUFXHI-MRXNPFEDSA-N	-1	0	523.036	3.637	40	0		KHABRM
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O	ZINC000020481053	553657705	/nfs/dbraw/zinc/65/77/05/553657705.db2.gz	LVYGVKBHMUFXHI-INIZCTEOSA-N	-1	0	523.036	3.637	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000020483511	553658661	/nfs/dbraw/zinc/65/86/61/553658661.db2.gz	RQALAVQDHJAKPZ-HXUWFJFHSA-N	-1	0	523.036	3.719	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000020483513	553658587	/nfs/dbraw/zinc/65/85/87/553658587.db2.gz	RQALAVQDHJAKPZ-FQEVSTJZSA-N	-1	0	523.036	3.719	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)c(OC)c1	ZINC000020483722	553658605	/nfs/dbraw/zinc/65/86/05/553658605.db2.gz	JDJJOKFTUPXRDW-UHFFFAOYSA-N	-1	0	509.584	3.879	40	0		KHABRM
Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(C)(=O)=O)c1	ZINC000020490470	553660418	/nfs/dbraw/zinc/66/04/18/553660418.db2.gz	NOBBXUPHUGKSQZ-UHFFFAOYSA-N	-1	0	516.645	3.684	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Br)cc3)cc2)n1	ZINC000020495517	553667577	/nfs/dbraw/zinc/66/75/77/553667577.db2.gz	KRGMOMJKSRWDRB-UHFFFAOYSA-N	-1	0	511.423	3.599	40	0		KHABRM
CC(C)c1nc([N-]S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C	ZINC000022053761	553724768	/nfs/dbraw/zinc/72/47/68/553724768.db2.gz	RRCVZPNTIPVSTE-MCBHFWOFSA-N	-1	0	523.627	3.635	40	0	in-vitro	KHABRM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000022520193	553744350	/nfs/dbraw/zinc/74/43/50/553744350.db2.gz	OAUHALZQLFURCQ-UHFFFAOYSA-N	-1	0	514.629	3.618	40	0		KHABRM
CCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(Br)c1	ZINC000022527813	553745190	/nfs/dbraw/zinc/74/51/90/553745190.db2.gz	VEJZBKYTFKUDEC-UHFFFAOYSA-N	-1	0	505.394	3.928	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000026114177	553816141	/nfs/dbraw/zinc/81/61/41/553816141.db2.gz	GYEDBRFZPSIBJC-UHFFFAOYSA-N	-1	0	505.643	3.976	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1C(=O)N1CCCC1	ZINC000026115403	553816184	/nfs/dbraw/zinc/81/61/84/553816184.db2.gz	FAPGMMMHTDHICQ-UHFFFAOYSA-N	-1	0	510.641	3.770	40	0		KHABRM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1	ZINC000026116730	553816560	/nfs/dbraw/zinc/81/65/60/553816560.db2.gz	YSLOOHGJRQCTEI-UHFFFAOYSA-N	-1	0	505.662	3.602	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCCCC1	ZINC000026116746	553816593	/nfs/dbraw/zinc/81/65/93/553816593.db2.gz	VOEMNBHXURWKQB-SFHVURJKSA-N	-1	0	517.673	3.744	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCCCC1	ZINC000026116754	553816500	/nfs/dbraw/zinc/81/65/00/553816500.db2.gz	VOEMNBHXURWKQB-GOSISDBHSA-N	-1	0	517.673	3.744	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1	ZINC000026116788	553816468	/nfs/dbraw/zinc/81/64/68/553816468.db2.gz	PUQAODLGCOUQDT-UHFFFAOYSA-N	-1	0	508.618	3.639	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1C(=O)N1CCOCC1	ZINC000026117496	553816852	/nfs/dbraw/zinc/81/68/52/553816852.db2.gz	WLXFVWZCEZOFCY-UHFFFAOYSA-N	-1	0	517.673	3.744	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1C(=O)N1CCOCC1	ZINC000026117512	553816870	/nfs/dbraw/zinc/81/68/70/553816870.db2.gz	VEFSAHFRNALGSP-UHFFFAOYSA-N	-1	0	525.652	3.612	40	0		KHABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)sc2c1CCCC2	ZINC000026117621	553816798	/nfs/dbraw/zinc/81/67/98/553816798.db2.gz	IXEPWQUHRQQJRH-UHFFFAOYSA-N	-1	0	524.686	3.799	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1C(=O)N1CCOCC1	ZINC000026117852	553816821	/nfs/dbraw/zinc/81/68/21/553816821.db2.gz	OKRJZVAQIXAOIM-UHFFFAOYSA-N	-1	0	517.673	3.698	40	0		KHABRM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1	ZINC000026119108	553817229	/nfs/dbraw/zinc/81/72/29/553817229.db2.gz	OIJFRRBMEOUHGN-UHFFFAOYSA-N	-1	0	520.629	3.655	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1C(=O)N1CCC(C)CC1	ZINC000026119196	553817201	/nfs/dbraw/zinc/81/72/01/553817201.db2.gz	OJIYBLBODNWZPY-UHFFFAOYSA-N	-1	0	517.673	3.554	40	0		KHABRM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1	ZINC000026119268	553817287	/nfs/dbraw/zinc/81/72/87/553817287.db2.gz	SNHFYOPJCRFNOA-UHFFFAOYSA-N	-1	0	519.689	3.848	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCC(C)CC1	ZINC000026119276	553817482	/nfs/dbraw/zinc/81/74/82/553817482.db2.gz	IXHNRMQPMDBBSG-IBGZPJMESA-N	-1	0	531.700	3.990	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCC(C)CC1	ZINC000026119283	553817553	/nfs/dbraw/zinc/81/75/53/553817553.db2.gz	IXHNRMQPMDBBSG-LJQANCHMSA-N	-1	0	531.700	3.990	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1	ZINC000026119318	553817545	/nfs/dbraw/zinc/81/75/45/553817545.db2.gz	LQGQJLDIIZJWLM-UHFFFAOYSA-N	-1	0	522.645	3.885	40	0		KHABRM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1	ZINC000026120529	553817890	/nfs/dbraw/zinc/81/78/90/553817890.db2.gz	PYNKMDJFOVORMN-UHFFFAOYSA-N	-1	0	520.629	3.799	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1C(=O)N1CCCCCC1	ZINC000026120619	553817874	/nfs/dbraw/zinc/81/78/74/553817874.db2.gz	RXPOCVMATNZRTR-UHFFFAOYSA-N	-1	0	517.673	3.698	40	0		KHABRM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1	ZINC000026120626	553817871	/nfs/dbraw/zinc/81/78/71/553817871.db2.gz	GGQVTYFNFJPEMC-UHFFFAOYSA-N	-1	0	505.662	3.602	40	0		KHABRM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1	ZINC000026120704	553817864	/nfs/dbraw/zinc/81/78/64/553817864.db2.gz	NIAYXEXYCZRXCM-UHFFFAOYSA-N	-1	0	519.689	3.992	40	0		KHABRM
Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1C	ZINC000030754374	553856214	/nfs/dbraw/zinc/85/62/14/553856214.db2.gz	YDNZYOGTAJWGSO-UHFFFAOYSA-N	-1	0	516.645	3.684	40	0		KHABRM
COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)cc1	ZINC000030754844	553856462	/nfs/dbraw/zinc/85/64/62/553856462.db2.gz	HHKYMBZMBQRPNU-UHFFFAOYSA-N	-1	0	504.586	3.533	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	ZINC000030757223	553856858	/nfs/dbraw/zinc/85/68/58/553856858.db2.gz	HADWUCIGUWQGCK-UHFFFAOYSA-N	-1	0	521.020	3.573	40	0		KHABRM
Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(C)(=O)=O	ZINC000030851499	553857951	/nfs/dbraw/zinc/85/79/51/553857951.db2.gz	JVQYJQHANVMUAT-MRXNPFEDSA-N	-1	0	523.036	3.637	40	0		KHABRM
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(C)(=O)=O	ZINC000030851502	553858038	/nfs/dbraw/zinc/85/80/38/553858038.db2.gz	JVQYJQHANVMUAT-INIZCTEOSA-N	-1	0	523.036	3.637	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000030860744	553859184	/nfs/dbraw/zinc/85/91/84/553859184.db2.gz	LMXFLEGNURVGCJ-OAQYLSRUSA-N	-1	0	523.036	3.719	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000030860750	553859318	/nfs/dbraw/zinc/85/93/18/553859318.db2.gz	LMXFLEGNURVGCJ-NRFANRHFSA-N	-1	0	523.036	3.719	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	ZINC000030864610	553859517	/nfs/dbraw/zinc/85/95/17/553859517.db2.gz	BSFGCBJKOFTQRA-UHFFFAOYSA-N	-1	0	508.581	3.936	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(CN4CCOCC4)c3)cc2)c(OC)c1	ZINC000030867482	553859827	/nfs/dbraw/zinc/85/98/27/553859827.db2.gz	AKLGDOCNGLLFOI-UHFFFAOYSA-N	-1	0	511.600	3.589	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OC	ZINC000030868771	553860107	/nfs/dbraw/zinc/86/01/07/553860107.db2.gz	YDGSURWJBIAPKG-UHFFFAOYSA-N	-1	0	523.611	3.604	40	0		KHABRM
CC[C@H](C)[C@H](C(=O)[O-])N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000031166963	553861163	/nfs/dbraw/zinc/86/11/63/553861163.db2.gz	IJYTXOHZOXDJGZ-LGSKXYQBSA-N	-1	0	515.647	3.725	40	0	biogenic,in-vitro	KHABRM
CC[C@H](C)[C@@H](C(=O)[O-])N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000031166971	290702340	/nfs/dbraw/zinc/70/23/40/290702340.db2.gz	IJYTXOHZOXDJGZ-WVXHZIOXSA-N	-1	0	515.647	3.725	40	0	biogenic,in-vitro	KHABRM
CCCc1nn2c(nc([O-])c(C(c3ccc(Cl)cc3)c3c(O)nc4sc(CCC)nn4c3=O)c2=O)s1	ZINC000033353253	553924135	/nfs/dbraw/zinc/92/41/35/553924135.db2.gz	AETCBRWPWNLMBX-UHFFFAOYSA-N	-1	0	545.046	3.765	40	0		KHABRM
CCn1c(=O)/c(=C\C=C2/C=CN(CCCS(=O)(=O)[O-])c3ccccc32)s/c1=C\c1scc(-c2ccccc2)[n+]1CCCS(=O)(=O)[O-]	ZINC000033353428	553925109	/nfs/dbraw/zinc/92/51/09/553925109.db2.gz	UGRZQKCQVFVIHA-QMSRRXLTSA-O	-1	0	700.906	3.528	40	0		KHABRM
CCCCn1c([O-])c(/C=C/C=C2C(=O)N(CCCC)C(=O)N(CCCC)C2=O)c(=O)n(CCCC)c1=O	ZINC000033364570	553957598	/nfs/dbraw/zinc/95/75/98/553957598.db2.gz	VIOJNMVMOZPCTD-BUHFOSPRSA-N	-1	0	516.639	3.646	40	0		KHABRM
Cc1ccc(S(=O)(=O)CC(CS(=O)(=O)c2ccc(C)cc2)C(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000033943587	553980068	/nfs/dbraw/zinc/98/00/68/553980068.db2.gz	HGOBHXGITKMPPL-UHFFFAOYSA-N	-1	0	500.594	3.748	40	0		KHABRM
O=C([O-])c1ccc(COc2c(I)cc(CO)cc2I)cc1	ZINC000034772804	554003809	/nfs/dbraw/zinc/00/38/09/554003809.db2.gz	MKZFMRCPKZSCJT-UHFFFAOYSA-N	-1	0	510.065	3.665	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CN3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)ccc2Cl)c(C)c1	ZINC000034802298	554009208	/nfs/dbraw/zinc/00/92/08/554009208.db2.gz	IFOQWZZEYNJKID-YJEDKTMASA-N	-1	0	514.003	3.503	40	0		KHABRM
CC[C@@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O[C@@H](C)C(=O)[O-])[C@H]2NC(C)=O)cc1	ZINC000035057072	554033852	/nfs/dbraw/zinc/03/38/52/554033852.db2.gz	WODZXGDTHGVULD-CUBNKPCPSA-N	-1	0	513.587	3.781	40	0		KHABRM
CC[C@H](C)c1ccc(O[C@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O[C@@H](C)C(=O)[O-])[C@H]2NC(C)=O)cc1	ZINC000035057074	554033911	/nfs/dbraw/zinc/03/39/11/554033911.db2.gz	WODZXGDTHGVULD-NRXLLCJFSA-N	-1	0	513.587	3.781	40	0		KHABRM
CC[C@@H](C)c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O[C@@H](C)C(=O)[O-])[C@H]2NC(C)=O)cc1	ZINC000035057076	554033830	/nfs/dbraw/zinc/03/38/30/554033830.db2.gz	WODZXGDTHGVULD-RAVLCJNZSA-N	-1	0	513.587	3.781	40	0		KHABRM
CC[C@H](C)c1ccc(O[C@@H]2O[C@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H](O[C@@H](C)C(=O)[O-])[C@H]2NC(C)=O)cc1	ZINC000035057078	554033904	/nfs/dbraw/zinc/03/39/04/554033904.db2.gz	WODZXGDTHGVULD-GDKPRAFKSA-N	-1	0	513.587	3.781	40	0		KHABRM
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000035361902	1066882106	/nfs/dbraw/zinc/88/21/06/1066882106.db2.gz	CHCPHKIHFYDASB-NISZWSKESA-N	-1	0	524.658	3.986	40	0		KHABRM
CC[C@H](C)[C@@H](C(=O)[O-])N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000035464266	291809302	/nfs/dbraw/zinc/80/93/02/291809302.db2.gz	IJYTXOHZOXDJGZ-VFYNXYKSSA-N	-1	0	515.647	3.725	40	0	biogenic,in-vitro	KHABRM
CC[C@H](C)[C@H](C(=O)[O-])N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000035464272	291809745	/nfs/dbraw/zinc/80/97/45/291809745.db2.gz	IJYTXOHZOXDJGZ-ZKTCSRSGSA-N	-1	0	515.647	3.725	40	0	biogenic,in-vitro	KHABRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c(O)c3)c(OC)c2)c(OC)c1	ZINC000038139691	554261192	/nfs/dbraw/zinc/26/11/92/554261192.db2.gz	WPXATJMWMPFBJS-KRWDZBQOSA-N	-1	0	581.574	3.985	40	0	biogenic,in-vitro	KHABRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@H](C)C(=O)[O-])c(O)c3)c(OC)c2)c(OC)c1	ZINC000038139692	554261138	/nfs/dbraw/zinc/26/11/38/554261138.db2.gz	WPXATJMWMPFBJS-QGZVFWFLSA-N	-1	0	581.574	3.985	40	0	biogenic,in-vitro	KHABRM
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC(=O)[O-])[C@@]12C	ZINC000038433350	290681918	/nfs/dbraw/zinc/68/19/18/290681918.db2.gz	LTJSBYAKDOGXLX-JTJCPSTFSA-N	-1	0	514.615	3.884	40	0	biogenic,in-vitro	KHABRM
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@H](C)CCC(=O)[O-])[C@@]12C	ZINC000038750548	574414408	/nfs/dbraw/zinc/41/44/08/574414408.db2.gz	ASPCIAWQVXVATP-WDWZMTFGSA-N	-1	0	516.631	3.676	40	0	endogenous,in-man	KHABRM
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC(=O)[O-])[C@@]12C	ZINC000038750551	574414415	/nfs/dbraw/zinc/41/44/15/574414415.db2.gz	ASPCIAWQVXVATP-VWXYMJEFSA-N	-1	0	516.631	3.676	40	0	endogenous,in-man	KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000038755812	554276697	/nfs/dbraw/zinc/27/66/97/554276697.db2.gz	XPLYDJDOLUCIJG-UHFFFAOYSA-N	-1	0	515.613	3.732	40	0		KHABRM
CC(C)(C)OC(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000044563879	554302482	/nfs/dbraw/zinc/30/24/82/554302482.db2.gz	UWHWIAXIOUBLSO-ICSRJNTNSA-N	-1	0	501.580	3.936	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000044838773	554303786	/nfs/dbraw/zinc/30/37/86/554303786.db2.gz	OFXXDDGRRBMPSH-UHFFFAOYSA-N	-1	0	521.020	3.573	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1	ZINC000044844397	554304343	/nfs/dbraw/zinc/30/43/43/554304343.db2.gz	OPFCVKZRUXWCAW-UHFFFAOYSA-N	-1	0	508.581	3.936	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000044850258	554305323	/nfs/dbraw/zinc/30/53/23/554305323.db2.gz	ROUTXKOKAQHOLE-QFIPXVFZSA-N	-1	0	516.645	3.683	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000044850262	554305331	/nfs/dbraw/zinc/30/53/31/554305331.db2.gz	ROUTXKOKAQHOLE-JOCHJYFZSA-N	-1	0	516.645	3.683	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000044880230	554307191	/nfs/dbraw/zinc/30/71/91/554307191.db2.gz	NCYTZUTXCHBJOC-UHFFFAOYSA-N	-1	0	514.629	3.618	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000044883398	554307616	/nfs/dbraw/zinc/30/76/16/554307616.db2.gz	SKHRGDXNPZSWDF-QHCPKHFHSA-N	-1	0	516.645	3.683	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000044883400	554307529	/nfs/dbraw/zinc/30/75/29/554307529.db2.gz	SKHRGDXNPZSWDF-HSZRJFAPSA-N	-1	0	516.645	3.683	40	0		KHABRM
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000044899852	554308092	/nfs/dbraw/zinc/30/80/92/554308092.db2.gz	CIGFSUJTMXAQBS-UHFFFAOYSA-N	-1	0	517.629	3.743	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	ZINC000044902893	554309325	/nfs/dbraw/zinc/30/93/25/554309325.db2.gz	RKNUNRCUOLWNSW-UHFFFAOYSA-N	-1	0	520.658	3.512	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000044904876	554309751	/nfs/dbraw/zinc/30/97/51/554309751.db2.gz	PCQNNYFLIQUSBM-UHFFFAOYSA-N	-1	0	521.642	3.594	40	0		KHABRM
Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)c1	ZINC000044947389	554310329	/nfs/dbraw/zinc/31/03/29/554310329.db2.gz	VBVNHCYBFSONIZ-UHFFFAOYSA-N	-1	0	516.645	3.684	40	0		KHABRM
COc1cc2c(cc1OC)C(C[C@H]1CN(S(=O)(=O)c3ccc(Cl)cc3)CC[C@H]1CC(=O)[O-])=NCC2	ZINC000049590432	291815709	/nfs/dbraw/zinc/81/57/09/291815709.db2.gz	QPYASIOFFHVGLS-WMZOPIPTSA-N	-1	0	521.035	3.894	40	0	biogenic,in-vitro	KHABRM
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1	ZINC000058993301	554371561	/nfs/dbraw/zinc/37/15/61/554371561.db2.gz	PGJHPHPFFIQELK-DBLMTGOPSA-N	-1	0	569.639	3.736	40	0		KHABRM
COC(=O)COc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1Br	ZINC000059599994	554409171	/nfs/dbraw/zinc/40/91/71/554409171.db2.gz	HAYMQTLHDFEWNH-NINHSQATSA-N	-1	0	505.346	3.933	40	0		KHABRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cc(I)ccc1I	ZINC000059825532	554431808	/nfs/dbraw/zinc/43/18/08/554431808.db2.gz	SPHOBXWXZMRTOC-UHFFFAOYSA-N	-1	0	523.064	3.855	40	0		KHABRM
Cc1cc(NC(=O)c2cc(I)ccc2I)cc(C(=O)[O-])c1O	ZINC000059825541	554431800	/nfs/dbraw/zinc/43/18/00/554431800.db2.gz	RHYDCZSVWYGPCB-UHFFFAOYSA-N	-1	0	523.064	3.860	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000059852342	554450915	/nfs/dbraw/zinc/45/09/15/554450915.db2.gz	RPYJLYIPZOKDIF-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)n1	ZINC000059852346	554451013	/nfs/dbraw/zinc/45/10/13/554451013.db2.gz	JGDYUEHHIBKWPB-UHFFFAOYSA-N	-1	0	582.079	3.559	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccccc2)cc1	ZINC000059852353	554450920	/nfs/dbraw/zinc/45/09/20/554450920.db2.gz	LLUZQMBMBPQGLA-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000059852421	554451217	/nfs/dbraw/zinc/45/12/17/554451217.db2.gz	QFICRYXBBWAYEC-UHFFFAOYSA-N	-1	0	591.715	3.641	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1	ZINC000059852477	554451555	/nfs/dbraw/zinc/45/15/55/554451555.db2.gz	DDFJMRXCMUGJLH-UHFFFAOYSA-N	-1	0	552.078	3.733	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccccc4)c3)cc2)n1	ZINC000059852483	554451618	/nfs/dbraw/zinc/45/16/18/554451618.db2.gz	LRJGMYILPQVWFK-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)n1	ZINC000059852501	554451586	/nfs/dbraw/zinc/45/15/86/554451586.db2.gz	QLTNYSGHBSPMFM-UHFFFAOYSA-N	-1	0	564.089	3.587	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	ZINC000059852529	554451531	/nfs/dbraw/zinc/45/15/31/554451531.db2.gz	SXNKWDQJVZCZNL-UHFFFAOYSA-N	-1	0	584.507	3.765	40	0		KHABRM
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000059852582	554451821	/nfs/dbraw/zinc/45/18/21/554451821.db2.gz	FDQHHEAGGBEVTL-UHFFFAOYSA-N	-1	0	540.598	3.856	40	0		KHABRM
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(=O)(=O)c1ccccc1	ZINC000059852595	554451875	/nfs/dbraw/zinc/45/18/75/554451875.db2.gz	ZSVISDQZNAFTQU-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000059852608	554451752	/nfs/dbraw/zinc/45/17/52/554451752.db2.gz	JJUAHIBIOYOPTB-UHFFFAOYSA-N	-1	0	523.596	3.639	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000059852621	554452151	/nfs/dbraw/zinc/45/21/51/554452151.db2.gz	ZVEOHZZPUAHRGM-UHFFFAOYSA-N	-1	0	528.656	3.864	40	0		KHABRM
COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1Cl	ZINC000059852717	554452453	/nfs/dbraw/zinc/45/24/53/554452453.db2.gz	GFRVTMSPGUSNMS-UHFFFAOYSA-N	-1	0	553.062	3.729	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000059852728	554452396	/nfs/dbraw/zinc/45/23/96/554452396.db2.gz	WWAJOAFXWGNAKR-UHFFFAOYSA-N	-1	0	558.469	3.606	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)c(OC)c1	ZINC000059852741	554452425	/nfs/dbraw/zinc/45/24/25/554452425.db2.gz	PYHHJSCAELOZJM-UHFFFAOYSA-N	-1	0	540.019	3.782	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000059852754	554452671	/nfs/dbraw/zinc/45/26/71/554452671.db2.gz	MVDKZRQUOSHJDE-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3C)cc2)n1	ZINC000059852824	554452948	/nfs/dbraw/zinc/45/29/48/554452948.db2.gz	RLPMOFGYPPOFHA-UHFFFAOYSA-N	-1	0	543.671	3.711	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000059852859	554452875	/nfs/dbraw/zinc/45/28/75/554452875.db2.gz	CQHPABSRMRRPHY-UHFFFAOYSA-N	-1	0	599.666	3.958	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)n1	ZINC000059852883	554452899	/nfs/dbraw/zinc/45/28/99/554452899.db2.gz	JCMJGTBTVMSQOT-SANMLTNESA-N	-1	0	593.687	3.630	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)Cc4ccccc4)c4ccccc4O3)cc2)n1	ZINC000059852886	554453002	/nfs/dbraw/zinc/45/30/02/554453002.db2.gz	JCMJGTBTVMSQOT-AREMUKBSSA-N	-1	0	593.687	3.630	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000059852895	554452915	/nfs/dbraw/zinc/45/29/15/554452915.db2.gz	MXHGDILNRHRUGG-UHFFFAOYSA-N	-1	0	544.655	3.708	40	0		KHABRM
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000059852907	554453319	/nfs/dbraw/zinc/45/33/19/554453319.db2.gz	RFUVGDMWLLMGRJ-AWEZNQCLSA-N	-1	0	543.454	3.982	40	0		KHABRM
C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000059852909	554453334	/nfs/dbraw/zinc/45/33/34/554453334.db2.gz	RFUVGDMWLLMGRJ-CQSZACIVSA-N	-1	0	543.454	3.982	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000059852980	554453283	/nfs/dbraw/zinc/45/32/83/554453283.db2.gz	YNTZIZJHQQISBC-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCC4)c3)cc2)n1	ZINC000059852985	554453551	/nfs/dbraw/zinc/45/35/51/554453551.db2.gz	SPCVLXDTSUIAMP-UHFFFAOYSA-N	-1	0	550.062	3.584	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)n1	ZINC000059853046	554453623	/nfs/dbraw/zinc/45/36/23/554453623.db2.gz	IRJXRSDEHOCBDJ-UHFFFAOYSA-N	-1	0	537.623	3.667	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	ZINC000059853054	554453568	/nfs/dbraw/zinc/45/35/68/554453568.db2.gz	IYMGJOWGSMJQMI-HSZRJFAPSA-N	-1	0	586.051	3.526	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	ZINC000059853058	554453588	/nfs/dbraw/zinc/45/35/88/554453588.db2.gz	IYMGJOWGSMJQMI-QHCPKHFHSA-N	-1	0	586.051	3.526	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(OCc2ccccc2)cc1	ZINC000059853180	554453846	/nfs/dbraw/zinc/45/38/46/554453846.db2.gz	MTDSYZUBFOILGI-UHFFFAOYSA-N	-1	0	566.661	3.866	40	0		KHABRM
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc2C)cc1	ZINC000059853200	554453891	/nfs/dbraw/zinc/45/38/91/554453891.db2.gz	XBQSIHNWFHUWQB-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cccc(Cl)c2)cc1	ZINC000059853364	554454116	/nfs/dbraw/zinc/45/41/16/554454116.db2.gz	VWFVITASCTUNMZ-UHFFFAOYSA-N	-1	0	588.067	3.773	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)cc2)n1	ZINC000059853370	554454124	/nfs/dbraw/zinc/45/41/24/554454124.db2.gz	TYGBGWRGTYDIII-UHFFFAOYSA-N	-1	0	564.089	3.912	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	ZINC000059853396	554454022	/nfs/dbraw/zinc/45/40/22/554454022.db2.gz	FPTSXGQHRZNWDC-RUZDIDTESA-N	-1	0	564.645	3.619	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	ZINC000059853400	554454110	/nfs/dbraw/zinc/45/41/10/554454110.db2.gz	FPTSXGQHRZNWDC-VWLOTQADSA-N	-1	0	564.645	3.619	40	0		KHABRM
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000059853409	554454097	/nfs/dbraw/zinc/45/40/97/554454097.db2.gz	ZMKWUNCKAXNPPD-UHFFFAOYSA-N	-1	0	522.608	3.716	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000059853430	554454433	/nfs/dbraw/zinc/45/44/33/554454433.db2.gz	MQMXWWNTRDSVIV-UHFFFAOYSA-N	-1	0	569.640	3.867	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000059853518	554454388	/nfs/dbraw/zinc/45/43/88/554454388.db2.gz	XGAPAJJMYYQKJO-UHFFFAOYSA-N	-1	0	535.047	3.963	40	0		KHABRM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)S(=O)(=O)c1ccccc1	ZINC000059853641	554454664	/nfs/dbraw/zinc/45/46/64/554454664.db2.gz	VDHMGHJITZQIIV-UHFFFAOYSA-N	-1	0	588.067	3.773	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)c1	ZINC000059858698	554456188	/nfs/dbraw/zinc/45/61/88/554456188.db2.gz	LWMMCPDSHUIRKV-UHFFFAOYSA-N	-1	0	554.046	3.563	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	ZINC000059881401	554456956	/nfs/dbraw/zinc/45/69/56/554456956.db2.gz	IAQTYOPGHSPIFJ-UHFFFAOYSA-N	-1	0	547.655	3.526	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)cc2)c1	ZINC000059882183	554457717	/nfs/dbraw/zinc/45/77/17/554457717.db2.gz	FYSPAGQBOSGKMF-UHFFFAOYSA-N	-1	0	584.072	3.571	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1	ZINC000059882374	554458100	/nfs/dbraw/zinc/45/81/00/554458100.db2.gz	BYCKVPYGXGHCMJ-UHFFFAOYSA-N	-1	0	568.073	3.871	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)c1	ZINC000059882470	554458448	/nfs/dbraw/zinc/45/84/48/554458448.db2.gz	CLIRCFPTSLDKTD-UHFFFAOYSA-N	-1	0	547.655	3.526	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1	ZINC000059882709	554458728	/nfs/dbraw/zinc/45/87/28/554458728.db2.gz	UDFLKVIDUTWVOB-UHFFFAOYSA-N	-1	0	531.656	3.826	40	0		KHABRM
COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059882905	554459203	/nfs/dbraw/zinc/45/92/03/554459203.db2.gz	LMORHHUYBPHGKM-GOSISDBHSA-N	-1	0	547.655	3.606	40	0		KHABRM
COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059882908	554459255	/nfs/dbraw/zinc/45/92/55/554459255.db2.gz	LMORHHUYBPHGKM-SFHVURJKSA-N	-1	0	547.655	3.606	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1	ZINC000059882947	554459220	/nfs/dbraw/zinc/45/92/20/554459220.db2.gz	MWDJSZFAOKWEID-UHFFFAOYSA-N	-1	0	531.656	3.826	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1	ZINC000059883218	554459976	/nfs/dbraw/zinc/45/99/76/554459976.db2.gz	UVORJIYYHZXRMY-UHFFFAOYSA-N	-1	0	582.498	3.972	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1	ZINC000059883260	554459896	/nfs/dbraw/zinc/45/98/96/554459896.db2.gz	NPENHQPUSFADFL-UHFFFAOYSA-N	-1	0	568.073	3.871	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1	ZINC000059883458	554460609	/nfs/dbraw/zinc/46/06/09/554460609.db2.gz	OGAPSCVJQAWDTP-UHFFFAOYSA-N	-1	0	587.598	3.928	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1	ZINC000059883719	554460877	/nfs/dbraw/zinc/46/08/77/554460877.db2.gz	GQCXPGXPLTUTOK-UHFFFAOYSA-N	-1	0	554.046	3.563	40	0		KHABRM
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1)S(C)(=O)=O	ZINC000059884318	554462046	/nfs/dbraw/zinc/46/20/46/554462046.db2.gz	ISYOVJQIGUNFGQ-UHFFFAOYSA-N	-1	0	531.656	3.772	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1	ZINC000059885016	554463929	/nfs/dbraw/zinc/46/39/29/554463929.db2.gz	ACWFQOYVRKLGOW-UHFFFAOYSA-N	-1	0	554.046	3.563	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1	ZINC000059885390	554464430	/nfs/dbraw/zinc/46/44/30/554464430.db2.gz	FCDKMVCDCBWMJO-UHFFFAOYSA-N	-1	0	547.655	3.526	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c1	ZINC000059885423	554464387	/nfs/dbraw/zinc/46/43/87/554464387.db2.gz	DWEXJFAIAOFFKW-UHFFFAOYSA-N	-1	0	584.072	3.571	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	ZINC000059886142	554466103	/nfs/dbraw/zinc/46/61/03/554466103.db2.gz	YERMEWROSPOTCY-UHFFFAOYSA-N	-1	0	538.047	3.863	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)c1	ZINC000059886336	554466626	/nfs/dbraw/zinc/46/66/26/554466626.db2.gz	ILIAHWXWEFEAHD-UHFFFAOYSA-N	-1	0	568.073	3.871	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059886428	554466770	/nfs/dbraw/zinc/46/67/70/554466770.db2.gz	FBXYIMGPRYJEFR-UHFFFAOYSA-N	-1	0	547.655	3.608	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1Cl	ZINC000059886557	554466927	/nfs/dbraw/zinc/46/69/27/554466927.db2.gz	YORCZSFIXHMIEW-UHFFFAOYSA-N	-1	0	568.073	3.871	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)c1	ZINC000059886900	554467639	/nfs/dbraw/zinc/46/76/39/554467639.db2.gz	KQVFUTBVYVRQEJ-UHFFFAOYSA-N	-1	0	598.497	3.672	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1	ZINC000059887312	554468701	/nfs/dbraw/zinc/46/87/01/554468701.db2.gz	LWPXKOFUBGVYDR-UHFFFAOYSA-N	-1	0	598.497	3.672	40	0		KHABRM
CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059887338	554468726	/nfs/dbraw/zinc/46/87/26/554468726.db2.gz	WCWJFMOXPPJPQC-IBGZPJMESA-N	-1	0	561.682	3.996	40	0		KHABRM
CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059887342	554468719	/nfs/dbraw/zinc/46/87/19/554468719.db2.gz	WCWJFMOXPPJPQC-LJQANCHMSA-N	-1	0	561.682	3.996	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1	ZINC000059887584	554469072	/nfs/dbraw/zinc/46/90/72/554469072.db2.gz	YLZCZHSHRUAIKL-UHFFFAOYSA-N	-1	0	547.655	3.526	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)c1	ZINC000059887702	554469235	/nfs/dbraw/zinc/46/92/35/554469235.db2.gz	STNZXRZDUYECKU-UHFFFAOYSA-N	-1	0	598.497	3.672	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	ZINC000059887714	554469278	/nfs/dbraw/zinc/46/92/78/554469278.db2.gz	IUCZIFQFJPIDIG-UHFFFAOYSA-N	-1	0	582.498	3.972	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)c1	ZINC000059887811	554469645	/nfs/dbraw/zinc/46/96/45/554469645.db2.gz	HKLWWUPPFIBZFH-UHFFFAOYSA-N	-1	0	547.655	3.526	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1	ZINC000059887862	554469606	/nfs/dbraw/zinc/46/96/06/554469606.db2.gz	ZIMOXNAKNKDYJE-UHFFFAOYSA-N	-1	0	531.656	3.826	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)c1	ZINC000059888244	554470617	/nfs/dbraw/zinc/47/06/17/554470617.db2.gz	KROHTSIJAMMFMR-UHFFFAOYSA-N	-1	0	568.073	3.871	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)c1	ZINC000059888253	554470692	/nfs/dbraw/zinc/47/06/92/554470692.db2.gz	PTFMYSOOKCVGKD-UHFFFAOYSA-N	-1	0	568.073	3.871	40	0		KHABRM
CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059888861	554471717	/nfs/dbraw/zinc/47/17/17/554471717.db2.gz	BPPIUYMEHMTCLW-SFHVURJKSA-N	-1	0	577.681	3.697	40	0		KHABRM
CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)S(C)(=O)=O)cc1	ZINC000059888864	554471785	/nfs/dbraw/zinc/47/17/85/554471785.db2.gz	BPPIUYMEHMTCLW-GOSISDBHSA-N	-1	0	577.681	3.697	40	0		KHABRM
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000059922848	554472658	/nfs/dbraw/zinc/47/26/58/554472658.db2.gz	MUOPSXAARAEUMN-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccccc2C)cc1	ZINC000059922958	554472682	/nfs/dbraw/zinc/47/26/82/554472682.db2.gz	HVMCOQHLOHUGEU-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000059923046	554472829	/nfs/dbraw/zinc/47/28/29/554472829.db2.gz	OTAFMNSVCZLBCE-UHFFFAOYSA-N	-1	0	522.608	3.963	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc2)cc1	ZINC000059923068	554472890	/nfs/dbraw/zinc/47/28/90/554472890.db2.gz	VGKVSGFFVXDASF-UHFFFAOYSA-N	-1	0	567.649	3.672	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)n1	ZINC000059923267	554473259	/nfs/dbraw/zinc/47/32/59/554473259.db2.gz	SWAFYVOBOANWOA-UHFFFAOYSA-N	-1	0	545.687	3.596	40	0		KHABRM
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)S(=O)(=O)c1ccccc1	ZINC000059923522	554473437	/nfs/dbraw/zinc/47/34/37/554473437.db2.gz	NAPXOZFHYWTNNI-UHFFFAOYSA-N	-1	0	565.677	3.982	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2)n1	ZINC000059923679	554473734	/nfs/dbraw/zinc/47/37/34/554473734.db2.gz	CLRZQKHQPRXGTF-UHFFFAOYSA-N	-1	0	569.640	3.943	40	0		KHABRM
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000059923745	554474008	/nfs/dbraw/zinc/47/40/08/554474008.db2.gz	RYZOBTOXVVYWFN-UHFFFAOYSA-N	-1	0	598.634	3.627	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000059923867	554474398	/nfs/dbraw/zinc/47/43/98/554474398.db2.gz	BOPUOZKSCDXRCT-UHFFFAOYSA-N	-1	0	528.656	3.864	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1	ZINC000059923873	554474485	/nfs/dbraw/zinc/47/44/85/554474485.db2.gz	CIEDYLFVRBJDNW-UHFFFAOYSA-N	-1	0	551.650	3.972	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000059924053	554474737	/nfs/dbraw/zinc/47/47/37/554474737.db2.gz	QEMDZKCNJDPDAN-UHFFFAOYSA-N	-1	0	573.697	3.576	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)n1	ZINC000059924071	554474628	/nfs/dbraw/zinc/47/46/28/554474628.db2.gz	VUZIKTGNBKIACG-UHFFFAOYSA-N	-1	0	553.597	3.539	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	ZINC000059924086	554474745	/nfs/dbraw/zinc/47/47/45/554474745.db2.gz	YUFYTTMYFFHNOG-UHFFFAOYSA-N	-1	0	535.047	3.963	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(F)cc2)cc1	ZINC000059924091	554474651	/nfs/dbraw/zinc/47/46/51/554474651.db2.gz	GFAMUMFDRKNJPT-UHFFFAOYSA-N	-1	0	599.666	3.876	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1	ZINC000059924135	554474787	/nfs/dbraw/zinc/47/47/87/554474787.db2.gz	XTXLLJBZJQPKPR-UHFFFAOYSA-N	-1	0	550.062	3.666	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000059924150	554474696	/nfs/dbraw/zinc/47/46/96/554474696.db2.gz	WBGVVVBUORAADC-UHFFFAOYSA-N	-1	0	544.655	3.564	40	0		KHABRM
CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000059924202	554474957	/nfs/dbraw/zinc/47/49/57/554474957.db2.gz	JGPLONFOKFVDSE-UHFFFAOYSA-N	-1	0	565.677	3.982	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1	ZINC000059924218	554475108	/nfs/dbraw/zinc/47/51/08/554475108.db2.gz	AIOJJOXJNDDOHX-UHFFFAOYSA-N	-1	0	564.089	3.975	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000059924255	554475089	/nfs/dbraw/zinc/47/50/89/554475089.db2.gz	PNXMBHZETQZOFB-UHFFFAOYSA-N	-1	0	567.649	3.510	40	0		KHABRM
CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000059924380	554475267	/nfs/dbraw/zinc/47/52/67/554475267.db2.gz	OJZMBIJNKDINTE-UHFFFAOYSA-N	-1	0	555.613	3.635	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccc(Cl)c1Cl	ZINC000059924424	554475300	/nfs/dbraw/zinc/47/53/00/554475300.db2.gz	BEWXOSNPQDJXOJ-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000059924459	554475480	/nfs/dbraw/zinc/47/54/80/554475480.db2.gz	ZZAXQAQMOONADB-UHFFFAOYSA-N	-1	0	551.650	3.972	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)cc2)n1	ZINC000059924715	554475881	/nfs/dbraw/zinc/47/58/81/554475881.db2.gz	DGZPUDJZUIRKOP-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000059924785	554476081	/nfs/dbraw/zinc/47/60/81/554476081.db2.gz	MLXLHOHVLWFUHK-UHFFFAOYSA-N	-1	0	537.623	3.663	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000060017884	554488509	/nfs/dbraw/zinc/48/85/09/554488509.db2.gz	OIONOIHPYIIXQV-FQEVSTJZSA-N	-1	0	548.712	3.557	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	ZINC000060017890	554488595	/nfs/dbraw/zinc/48/85/95/554488595.db2.gz	OIONOIHPYIIXQV-HXUWFJFHSA-N	-1	0	548.712	3.557	40	0		KHABRM
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000060017925	554488554	/nfs/dbraw/zinc/48/85/54/554488554.db2.gz	DARCSEQSULKREP-UHFFFAOYSA-N	-1	0	555.613	3.559	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccccc2)cc1	ZINC000060017961	554488741	/nfs/dbraw/zinc/48/87/41/554488741.db2.gz	GTSGVECPYXNWQA-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	ZINC000060017973	554488726	/nfs/dbraw/zinc/48/87/26/554488726.db2.gz	BHDPDGMPJOCMQR-UHFFFAOYSA-N	-1	0	567.064	3.855	40	0		KHABRM
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000060018062	554489118	/nfs/dbraw/zinc/48/91/18/554489118.db2.gz	PDXRJXATSSXTLA-UHFFFAOYSA-N	-1	0	540.598	3.856	40	0		KHABRM
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000060018094	554489101	/nfs/dbraw/zinc/48/91/01/554489101.db2.gz	DIHXABGIPBFFEW-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3Cl)S(C)(=O)=O)cc2)n1	ZINC000060018106	554489207	/nfs/dbraw/zinc/48/92/07/554489207.db2.gz	AWTRQVGSWDGJAU-UHFFFAOYSA-N	-1	0	558.469	3.606	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000060018185	554489159	/nfs/dbraw/zinc/48/91/59/554489159.db2.gz	DEOOSOSPDLROET-UHFFFAOYSA-N	-1	0	544.655	3.708	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl	ZINC000060018330	554489364	/nfs/dbraw/zinc/48/93/64/554489364.db2.gz	YOAVKQYXFBXOGS-UHFFFAOYSA-N	-1	0	544.014	3.984	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3C)cc2)n1	ZINC000060018389	554489389	/nfs/dbraw/zinc/48/93/89/554489389.db2.gz	UCFVEDRJEWTGCQ-UHFFFAOYSA-N	-1	0	543.671	3.630	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1	ZINC000060018560	554490042	/nfs/dbraw/zinc/49/00/42/554490042.db2.gz	UMNSXGODVSXDLZ-INIZCTEOSA-N	-1	0	584.507	3.765	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1	ZINC000060018568	554490014	/nfs/dbraw/zinc/49/00/14/554490014.db2.gz	UMNSXGODVSXDLZ-MRXNPFEDSA-N	-1	0	584.507	3.765	40	0		KHABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccccc2)cc1	ZINC000060018655	554490055	/nfs/dbraw/zinc/49/00/55/554490055.db2.gz	BZUHFMHZMKGDPL-UHFFFAOYSA-N	-1	0	567.649	3.510	40	0		KHABRM
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)S(=O)(=O)c1ccccc1	ZINC000060028134	554490406	/nfs/dbraw/zinc/49/04/06/554490406.db2.gz	YVDQYOVTDPQOHO-UHFFFAOYSA-N	-1	0	551.650	3.674	40	0		KHABRM
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)S(=O)(=O)c1ccccc1	ZINC000060028157	554490417	/nfs/dbraw/zinc/49/04/17/554490417.db2.gz	RAYBHBAZSSWOPG-UHFFFAOYSA-N	-1	0	581.676	3.819	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)Oc3ccccc32)cc1	ZINC000060028181	554490807	/nfs/dbraw/zinc/49/08/07/554490807.db2.gz	LDGMOMSOIWKIMJ-RUZDIDTESA-N	-1	0	564.645	3.786	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)Oc3ccccc32)cc1	ZINC000060028182	554490830	/nfs/dbraw/zinc/49/08/30/554490830.db2.gz	LDGMOMSOIWKIMJ-VWLOTQADSA-N	-1	0	564.645	3.786	40	0		KHABRM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2C)cc1	ZINC000060028193	554491145	/nfs/dbraw/zinc/49/11/45/554491145.db2.gz	HSTZBNNZEUYTBZ-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000060028223	554491456	/nfs/dbraw/zinc/49/14/56/554491456.db2.gz	ISBBUUJYFUVHNK-UHFFFAOYSA-N	-1	0	569.640	3.867	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccccc2OC)cc1	ZINC000060028238	554491447	/nfs/dbraw/zinc/49/14/47/554491447.db2.gz	LATDNNFOKCJKCS-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1C(=O)N1CCCCCC1	ZINC000060028290	554492023	/nfs/dbraw/zinc/49/20/23/554492023.db2.gz	QUIATVGBCBBLCC-UHFFFAOYSA-N	-1	0	573.697	3.720	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	ZINC000060028294	554492108	/nfs/dbraw/zinc/49/21/08/554492108.db2.gz	QOSSZRDRXWIUKZ-MRXNPFEDSA-N	-1	0	584.507	3.765	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	ZINC000060028295	554491998	/nfs/dbraw/zinc/49/19/98/554491998.db2.gz	QOSSZRDRXWIUKZ-INIZCTEOSA-N	-1	0	584.507	3.765	40	0		KHABRM
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000060028514	554493209	/nfs/dbraw/zinc/49/32/09/554493209.db2.gz	MDCBYEZXONFROK-UHFFFAOYSA-N	-1	0	558.041	3.765	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1Cl	ZINC000060028526	554493223	/nfs/dbraw/zinc/49/32/23/554493223.db2.gz	IIACQISZJNTAPZ-UHFFFAOYSA-N	-1	0	588.067	3.773	40	0		KHABRM
CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c2)CC1	ZINC000060028535	554493177	/nfs/dbraw/zinc/49/31/77/554493177.db2.gz	QWFSZUOTSQAZAG-UHFFFAOYSA-N	-1	0	550.062	3.604	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)cc2)cc1	ZINC000060028552	554493519	/nfs/dbraw/zinc/49/35/19/554493519.db2.gz	WAQRLAYWHYJVFZ-UHFFFAOYSA-N	-1	0	552.634	3.968	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)n1	ZINC000060028585	554493750	/nfs/dbraw/zinc/49/37/50/554493750.db2.gz	LWSUQWVTFOCZOZ-UHFFFAOYSA-N	-1	0	577.994	3.663	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000060028618	554493977	/nfs/dbraw/zinc/49/39/77/554493977.db2.gz	YBWSEPPWWHRSNU-UHFFFAOYSA-N	-1	0	549.074	3.716	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	ZINC000060028624	554494101	/nfs/dbraw/zinc/49/41/01/554494101.db2.gz	CTHDEDRDXWOCRM-UHFFFAOYSA-N	-1	0	584.507	3.765	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccccc2F)cc1	ZINC000060028630	554494018	/nfs/dbraw/zinc/49/40/18/554494018.db2.gz	PXXXGPCRROFPGY-UHFFFAOYSA-N	-1	0	569.640	3.867	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000060028640	554494300	/nfs/dbraw/zinc/49/43/00/554494300.db2.gz	KIJWQTMNWKCEMK-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000060028688	554494607	/nfs/dbraw/zinc/49/46/07/554494607.db2.gz	ZDIPJNXCQJVHRT-UHFFFAOYSA-N	-1	0	535.047	3.963	40	0		KHABRM
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000060028691	554494890	/nfs/dbraw/zinc/49/48/90/554494890.db2.gz	PZZGAZDIPOORCH-UHFFFAOYSA-N	-1	0	558.041	3.765	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCN(S(=O)(=O)c5ccccc5)CC4)cc3)cc2)n1	ZINC000060028704	554494841	/nfs/dbraw/zinc/49/48/41/554494841.db2.gz	SHWDPUJLORALDE-UHFFFAOYSA-N	-1	0	620.757	3.653	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000060028723	554495110	/nfs/dbraw/zinc/49/51/10/554495110.db2.gz	CTQAWZNAJROYRA-UHFFFAOYSA-N	-1	0	535.047	3.575	40	0		KHABRM
Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2)S(C)(=O)=O)c1	ZINC000060028729	554495073	/nfs/dbraw/zinc/49/50/73/554495073.db2.gz	SYWRJSJAUKEKMY-UHFFFAOYSA-N	-1	0	551.650	3.804	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)n1	ZINC000060028734	554495104	/nfs/dbraw/zinc/49/51/04/554495104.db2.gz	WAXVOKXMNINOPD-UHFFFAOYSA-N	-1	0	558.469	3.606	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)n1	ZINC000060028736	554495021	/nfs/dbraw/zinc/49/50/21/554495021.db2.gz	IVCZMXXJBWHZFW-DEOSSOPVSA-N	-1	0	600.078	3.834	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)n1	ZINC000060028737	554495130	/nfs/dbraw/zinc/49/51/30/554495130.db2.gz	IVCZMXXJBWHZFW-XMMPIXPASA-N	-1	0	600.078	3.834	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)n1	ZINC000060028739	554495124	/nfs/dbraw/zinc/49/51/24/554495124.db2.gz	DDJAKILRQDEOCL-UHFFFAOYSA-N	-1	0	558.469	3.606	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000060028741	554495067	/nfs/dbraw/zinc/49/50/67/554495067.db2.gz	UXPQFTUWEWSMRU-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c(OC)c1	ZINC000060028766	554495393	/nfs/dbraw/zinc/49/53/93/554495393.db2.gz	BPNDLCDSTGCPIL-UHFFFAOYSA-N	-1	0	559.666	3.683	40	0		KHABRM
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)c2)cc1	ZINC000060028774	554495341	/nfs/dbraw/zinc/49/53/41/554495341.db2.gz	AUIYRIYSLPYXPJ-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000060028782	554495705	/nfs/dbraw/zinc/49/57/05/554495705.db2.gz	RCKBEVSOWINJEQ-UHFFFAOYSA-N	-1	0	549.074	3.716	40	0		KHABRM
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000060028783	554495621	/nfs/dbraw/zinc/49/56/21/554495621.db2.gz	RGPXRHDZAIJAJB-AWEZNQCLSA-N	-1	0	543.454	3.982	40	0		KHABRM
C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O	ZINC000060028784	554495681	/nfs/dbraw/zinc/49/56/81/554495681.db2.gz	RGPXRHDZAIJAJB-CQSZACIVSA-N	-1	0	543.454	3.982	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000060028791	554495609	/nfs/dbraw/zinc/49/56/09/554495609.db2.gz	YJUYQXQQUCFEID-OAHLLOKOSA-N	-1	0	572.496	3.994	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000060028792	554495733	/nfs/dbraw/zinc/49/57/33/554495733.db2.gz	YJUYQXQQUCFEID-HNNXBMFYSA-N	-1	0	572.496	3.994	40	0		KHABRM
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1C	ZINC000060028831	554495940	/nfs/dbraw/zinc/49/59/40/554495940.db2.gz	FOQNXMKMMNSKBT-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2)cc1	ZINC000060028847	554496359	/nfs/dbraw/zinc/49/63/59/554496359.db2.gz	YUPYQPCTXJOEAG-UHFFFAOYSA-N	-1	0	537.623	3.663	40	0		KHABRM
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000060028853	554496365	/nfs/dbraw/zinc/49/63/65/554496365.db2.gz	MNPLYDOCFUFSBE-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000060028881	554496672	/nfs/dbraw/zinc/49/66/72/554496672.db2.gz	ZSNNUJUGFRJBPN-UHFFFAOYSA-N	-1	0	602.492	3.874	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)n1	ZINC000060028888	554496654	/nfs/dbraw/zinc/49/66/54/554496654.db2.gz	UQUNZKADNPFOCK-UHFFFAOYSA-N	-1	0	551.650	3.804	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)n1	ZINC000060028895	554496611	/nfs/dbraw/zinc/49/66/11/554496611.db2.gz	SQCXQKNNEHPQIN-UHFFFAOYSA-N	-1	0	551.650	3.972	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccccc2F)cc1	ZINC000060042872	554497000	/nfs/dbraw/zinc/49/70/00/554497000.db2.gz	QFYYZJHTYYETSS-UHFFFAOYSA-N	-1	0	555.613	3.559	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4ccc(F)cc4-c4ccccc4S3(=O)=O)cc2)n1	ZINC000060042961	554497270	/nfs/dbraw/zinc/49/72/70/554497270.db2.gz	XDYKKMKJOSEFFK-UHFFFAOYSA-N	-1	0	567.624	3.848	40	0		KHABRM
O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000060043077	554497183	/nfs/dbraw/zinc/49/71/83/554497183.db2.gz	RSQSKYKUAUFPQC-UHFFFAOYSA-N	-1	0	538.582	3.836	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	ZINC000060043114	554497613	/nfs/dbraw/zinc/49/76/13/554497613.db2.gz	GMWCLOFDLSFFQA-UHFFFAOYSA-N	-1	0	599.554	3.887	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc2)cc1OC	ZINC000060059924	554497743	/nfs/dbraw/zinc/49/77/43/554497743.db2.gz	JWQHGCITRYHMAA-UHFFFAOYSA-N	-1	0	597.675	3.680	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1C(=O)N1CCC(C)CC1	ZINC000060059942	554498208	/nfs/dbraw/zinc/49/82/08/554498208.db2.gz	NWFGQRCWMXJMKE-UHFFFAOYSA-N	-1	0	573.697	3.576	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000060059951	554498221	/nfs/dbraw/zinc/49/82/21/554498221.db2.gz	JYMCOZACHIOKEI-UHFFFAOYSA-N	-1	0	544.655	3.564	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc(Cl)cc(Cl)c1	ZINC000060060062	554498499	/nfs/dbraw/zinc/49/84/99/554498499.db2.gz	XJVOPGGWXWFCPI-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3C)cc2)n1	ZINC000060060073	554498378	/nfs/dbraw/zinc/49/83/78/554498378.db2.gz	SVYJQKFWWXTLFW-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000060060080	554498421	/nfs/dbraw/zinc/49/84/21/554498421.db2.gz	RHRNNVGXGQCGEP-UHFFFAOYSA-N	-1	0	540.598	3.856	40	0		KHABRM
O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000060060101	554498438	/nfs/dbraw/zinc/49/84/38/554498438.db2.gz	AIIUEJGERUOQOM-UHFFFAOYSA-N	-1	0	602.492	3.874	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cccc(Cl)c1Cl	ZINC000060060141	554498369	/nfs/dbraw/zinc/49/83/69/554498369.db2.gz	XTBCQUDVWMRWKI-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccccc2)cc1OC	ZINC000060060145	554498348	/nfs/dbraw/zinc/49/83/48/554498348.db2.gz	UXUDWXBISCJVRT-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000060060226	554498738	/nfs/dbraw/zinc/49/87/38/554498738.db2.gz	WZXBMXUFQFTVAE-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1OC	ZINC000060060243	554498696	/nfs/dbraw/zinc/49/86/96/554498696.db2.gz	UJIOGPVACLITRF-UHFFFAOYSA-N	-1	0	537.638	3.912	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)n1	ZINC000060060266	554498788	/nfs/dbraw/zinc/49/87/88/554498788.db2.gz	SCGRVBTYZSTCBK-UHFFFAOYSA-N	-1	0	578.887	3.951	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(Cl)c(Cl)c1	ZINC000060060277	554498990	/nfs/dbraw/zinc/49/89/90/554498990.db2.gz	TYXHRCCJBFDUHC-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	ZINC000060060361	554498890	/nfs/dbraw/zinc/49/88/90/554498890.db2.gz	NTAWOLRKPPSMQB-UHFFFAOYSA-N	-1	0	593.525	3.825	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000060060373	554498926	/nfs/dbraw/zinc/49/89/26/554498926.db2.gz	XZCQNKREOLWBHL-UHFFFAOYSA-N	-1	0	573.697	3.720	40	0		KHABRM
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000060060406	554499226	/nfs/dbraw/zinc/49/92/26/554499226.db2.gz	XFKZTLDGXBYUGQ-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000060060430	554499161	/nfs/dbraw/zinc/49/91/61/554499161.db2.gz	SZBAUXOOCPFYBO-UHFFFAOYSA-N	-1	0	627.701	3.527	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC	ZINC000060060434	554499170	/nfs/dbraw/zinc/49/91/70/554499170.db2.gz	HMEUSWQLMLKLHF-UHFFFAOYSA-N	-1	0	553.637	3.613	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccc(Cl)cc2)cc1OC	ZINC000060060447	554499174	/nfs/dbraw/zinc/49/91/74/554499174.db2.gz	WQHJYYAEZYSXKS-UHFFFAOYSA-N	-1	0	618.093	3.782	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)n1	ZINC000060060460	554499187	/nfs/dbraw/zinc/49/91/87/554499187.db2.gz	LLQYWIAEUNLZPX-UHFFFAOYSA-N	-1	0	578.116	3.728	40	0		KHABRM
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000060060506	554499544	/nfs/dbraw/zinc/49/95/44/554499544.db2.gz	SHYTXBLDFNQFLQ-UHFFFAOYSA-N	-1	0	558.041	3.765	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cc(C)cc(C)c2)cc1OC	ZINC000060060517	554499510	/nfs/dbraw/zinc/49/95/10/554499510.db2.gz	RHOUITBTJSEEEK-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccc(F)cc2)cc1	ZINC000060060521	554499416	/nfs/dbraw/zinc/49/94/16/554499416.db2.gz	PVYZKJMEZOUHAN-UHFFFAOYSA-N	-1	0	570.624	3.864	40	0		KHABRM
CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(=O)(=O)c1ccccc1	ZINC000060060552	554499762	/nfs/dbraw/zinc/49/97/62/554499762.db2.gz	LHMWMTGLWXJFSH-UHFFFAOYSA-N	-1	0	522.608	3.960	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(OCc2ccccc2)cc1	ZINC000060060587	554499719	/nfs/dbraw/zinc/49/97/19/554499719.db2.gz	OJPLIOVHDWKZEW-UHFFFAOYSA-N	-1	0	566.661	3.866	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)c1	ZINC000060060634	554500122	/nfs/dbraw/zinc/50/01/22/554500122.db2.gz	KBDKTGJOANCEKV-UHFFFAOYSA-N	-1	0	540.019	3.782	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc(C(F)(F)F)ccc1Cl	ZINC000060060676	554500050	/nfs/dbraw/zinc/50/00/50/554500050.db2.gz	YSBLLILYIPCQEZ-UHFFFAOYSA-N	-1	0	562.979	3.959	40	0		KHABRM
COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)S(=O)(=O)c1ccccc1	ZINC000060060739	554500500	/nfs/dbraw/zinc/50/05/00/554500500.db2.gz	SKYUNWXPRLQXQO-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)n1	ZINC000060060741	554500400	/nfs/dbraw/zinc/50/04/00/554500400.db2.gz	IVZHRTGMZGJFHA-UHFFFAOYSA-N	-1	0	550.062	3.666	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000060060825	554500767	/nfs/dbraw/zinc/50/07/67/554500767.db2.gz	GKWJXBUJBZSHAN-UHFFFAOYSA-N	-1	0	562.979	3.959	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000060060866	554501163	/nfs/dbraw/zinc/50/11/63/554501163.db2.gz	XYNGMPZQJGUTHY-UHFFFAOYSA-N	-1	0	529.640	3.841	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccccc2)cc1OC	ZINC000060060913	554501420	/nfs/dbraw/zinc/50/14/20/554501420.db2.gz	DCDXPVAMXHFPPK-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc(Cl)ccc1Cl	ZINC000060060942	554501328	/nfs/dbraw/zinc/50/13/28/554501328.db2.gz	GKIPXQQWZPTNGU-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000060060948	554501462	/nfs/dbraw/zinc/50/14/62/554501462.db2.gz	HRBYZSFKYHIQOA-UHFFFAOYSA-N	-1	0	540.598	3.856	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccc(Cl)cc2)cc1	ZINC000060061091	554501910	/nfs/dbraw/zinc/50/19/10/554501910.db2.gz	DFIMVDXBDORQON-UHFFFAOYSA-N	-1	0	588.067	3.773	40	0		KHABRM
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)[n-]c1=O	ZINC000060297810	554505567	/nfs/dbraw/zinc/50/55/67/554505567.db2.gz	REEANFGHAAWSIZ-UHFFFAOYSA-N	-1	0	507.572	4.538	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000064638004	554513749	/nfs/dbraw/zinc/51/37/49/554513749.db2.gz	QVTNZDVTESHULI-WPUHHHFCSA-N	-1	0	560.031	3.991	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C\c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000064638005	554513778	/nfs/dbraw/zinc/51/37/78/554513778.db2.gz	QVTNZDVTESHULI-RJFKIUDMSA-N	-1	0	560.031	3.991	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1	ZINC000064675561	554513852	/nfs/dbraw/zinc/51/38/52/554513852.db2.gz	PGJHPHPFFIQELK-GKKFRVOYSA-N	-1	0	569.639	3.736	40	0		KHABRM
CC(C)[C@]1(O)N2CC[C@H](C[C@H](O)CC(=O)[O-])O[C@]2(c2ccc(F)cc2)[C@]2(c3ccccc3)O[C@@]21C(=O)Nc1ccccc1	ZINC000067664893	554533064	/nfs/dbraw/zinc/53/30/64/554533064.db2.gz	MVZMCOIMLLJPJD-IPEYSMSUSA-N	-1	0	590.648	3.957	40	0	in-vitro	KHABRM
C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O)C(=O)[O-]	ZINC000070455540	553594371	/nfs/dbraw/zinc/59/43/71/553594371.db2.gz	RERVSJVGWKIGTJ-ZGQIITRISA-N	-1	0	518.691	3.923	40	0	biogenic,in-vitro	KHABRM
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000070670158	553600705	/nfs/dbraw/zinc/60/07/05/553600705.db2.gz	IWRKIHCCVLZYGK-NIJXNBFTSA-N	-1	0	555.672	3.966	40	0		KHABRM
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000070670160	553600666	/nfs/dbraw/zinc/60/06/66/553600666.db2.gz	IWRKIHCCVLZYGK-BUUDZMLXSA-N	-1	0	555.672	3.966	40	0		KHABRM
COc1ccc(CN(CC(=O)[O-])C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1	ZINC000071788191	553638314	/nfs/dbraw/zinc/63/83/14/553638314.db2.gz	NJUCBQMDTSVIGD-UHFFFAOYSA-N	-1	0	504.539	3.656	40	0		KHABRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc(-c3ncccn3)nc(OCCO)c2Oc2ccccc2O)cc1	ZINC000072131131	1066193430	/nfs/dbraw/zinc/19/34/30/1066193430.db2.gz	STTLKJGYAWXIPP-UHFFFAOYSA-N	-1	0	537.598	3.901	40	0		KHABRM
C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=S)[N-]c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	ZINC000072131316	717133590	/nfs/dbraw/zinc/13/35/90/717133590.db2.gz	VHQRUEIROGCZGH-GOSISDBHSA-O	-1	0	551.597	3.929	40	0		KHABRM
C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=S)[N-]c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21	ZINC000072131317	717133872	/nfs/dbraw/zinc/13/38/72/717133872.db2.gz	VHQRUEIROGCZGH-SFHVURJKSA-O	-1	0	551.597	3.929	40	0		KHABRM
CC[C@H](Oc1c(I)cc(I)cc1I)C(=O)[O-]	ZINC000072266763	553646545	/nfs/dbraw/zinc/64/65/45/553646545.db2.gz	VYAGDYWTCWDKIS-QMMMGPOBSA-N	-1	0	557.891	3.742	40	0	in-man	KHABRM
CCN(C(C)=O)c1c(I)cc(I)c(OCCO[C@@H](C)C(=O)[O-])c1I	ZINC000072266820	553646512	/nfs/dbraw/zinc/64/65/12/553646512.db2.gz	HCPRJARHRUCLBG-QMMMGPOBSA-N	-1	0	673.023	3.742	40	0	in-man	KHABRM
N=C(NC(=N)Nc1cccc(S(=O)(=O)[N-]c2ncc(Cl)cn2)c1)Nc1ccc(Br)cc1	ZINC000072430705	553652127	/nfs/dbraw/zinc/65/21/27/553652127.db2.gz	LIRSHZWMUDCMMD-UHFFFAOYSA-N	-1	0	523.804	3.676	40	0		KHABRM
C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)[O-]	ZINC000073162058	290715934	/nfs/dbraw/zinc/71/59/34/290715934.db2.gz	RERVSJVGWKIGTJ-RQLZKMEDSA-N	-1	0	518.691	3.923	40	0	biogenic,in-vitro	KHABRM
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)[O-])[C@@]12C	ZINC000073170142	574416606	/nfs/dbraw/zinc/41/66/06/574416606.db2.gz	YCXUCEXEMJPDRZ-PDPJTJRCSA-N	-1	0	572.695	3.881	40	0	endogenous,in-man	KHABRM
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)[O-])[C@@]12C	ZINC000073170143	574416619	/nfs/dbraw/zinc/41/66/19/574416619.db2.gz	YCXUCEXEMJPDRZ-KIQCDBGESA-N	-1	0	572.695	3.881	40	0	endogenous,in-man	KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000073275615	553652522	/nfs/dbraw/zinc/65/25/22/553652522.db2.gz	PRKYYRSNDWFECB-QRYXZWMLSA-N	-1	0	577.442	3.577	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000073275620	553652553	/nfs/dbraw/zinc/65/25/53/553652553.db2.gz	PRKYYRSNDWFECB-DAMVKRJQSA-N	-1	0	577.442	3.577	40	0		KHABRM
CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000076945632	553654670	/nfs/dbraw/zinc/65/46/70/553654670.db2.gz	YJQPYGGHQPGBLI-FWPHEPGVSA-N	-1	0	612.632	3.627	40	0	in-vitro	KHABRM
CCCOC(=O)CNc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=S)[n-]c1=O	ZINC000079183245	553666366	/nfs/dbraw/zinc/66/63/66/553666366.db2.gz	RVVDXQKCGASQPS-PZWXIZEVSA-N	-1	0	688.715	3.872	40	0		KHABRM
CCCOC(=O)CNc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=S)[n-]c1=O	ZINC000079183247	553666415	/nfs/dbraw/zinc/66/64/15/553666415.db2.gz	RVVDXQKCGASQPS-SVOGPNEYSA-N	-1	0	688.715	3.872	40	0		KHABRM
CCCOC(=O)CNc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[n-]c1=O	ZINC000079183249	553666412	/nfs/dbraw/zinc/66/64/12/553666412.db2.gz	RVVDXQKCGASQPS-SNJIXJEUSA-N	-1	0	688.715	3.872	40	0		KHABRM
CCCOC(=O)CNc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=S)[n-]c1=O	ZINC000079183251	553666395	/nfs/dbraw/zinc/66/63/95/553666395.db2.gz	RVVDXQKCGASQPS-IXMKEJRMSA-N	-1	0	688.715	3.872	40	0		KHABRM
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)[O-]	ZINC000079228397	553672455	/nfs/dbraw/zinc/67/24/55/553672455.db2.gz	GPARBZTZAHGRDH-IPMUCMBBSA-N	-1	0	610.745	3.664	40	0		KHABRM
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)[O-]	ZINC000079228405	553672533	/nfs/dbraw/zinc/67/25/33/553672533.db2.gz	GPARBZTZAHGRDH-PKWWMSHRSA-N	-1	0	610.745	3.664	40	0		KHABRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c(O)c3)c(O)c2)c(OC)c1	ZINC000085570953	553684223	/nfs/dbraw/zinc/68/42/23/553684223.db2.gz	XQGKRCPZJSNFEL-INIZCTEOSA-N	-1	0	567.547	3.682	40	0	biogenic,in-vitro	KHABRM
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@H](C)C(=O)[O-])c(O)c3)c(O)c2)c(OC)c1	ZINC000085570958	291813493	/nfs/dbraw/zinc/81/34/93/291813493.db2.gz	XQGKRCPZJSNFEL-MRXNPFEDSA-N	-1	0	567.547	3.682	40	0	biogenic,in-vitro	KHABRM
CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)[O-])[C@@]12C	ZINC000085594035	553684773	/nfs/dbraw/zinc/68/47/73/553684773.db2.gz	YCXUCEXEMJPDRZ-QXWVCDDXSA-N	-1	0	572.695	3.881	40	0	biogenic,in-vitro	KHABRM
C[C@H](CC(=O)C[C@H](C)C(=O)[O-])[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	ZINC000095561079	553704311	/nfs/dbraw/zinc/70/43/11/553704311.db2.gz	RERVSJVGWKIGTJ-AJMCURBUSA-N	-1	0	518.691	3.923	40	0	biogenic,in-vitro	KHABRM
C[C@H](CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)C(=O)[O-]	ZINC000095561377	290715696	/nfs/dbraw/zinc/71/56/96/290715696.db2.gz	MNXGGTWKTCLFDT-CBEKSKLKSA-N	-1	0	528.642	3.519	40	0	biogenic,in-vitro	KHABRM
C[C@H](CC(=O)C[C@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O	ZINC000095561378	553704271	/nfs/dbraw/zinc/70/42/71/553704271.db2.gz	MNXGGTWKTCLFDT-RXGMZUDISA-N	-1	0	528.642	3.519	40	0	biogenic,in-vitro	KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000097948866	553797427	/nfs/dbraw/zinc/79/74/27/553797427.db2.gz	CKRQORNBQAQCQR-FZKQIMNGSA-N	-1	0	609.077	3.514	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000097948867	553797442	/nfs/dbraw/zinc/79/74/42/553797442.db2.gz	CKRQORNBQAQCQR-ACJLOTCBSA-N	-1	0	609.077	3.514	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000097948868	553797444	/nfs/dbraw/zinc/79/74/44/553797444.db2.gz	CKRQORNBQAQCQR-SCLBCKFNSA-N	-1	0	609.077	3.514	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000097948869	553797429	/nfs/dbraw/zinc/79/74/29/553797429.db2.gz	CKRQORNBQAQCQR-UGSOOPFHSA-N	-1	0	609.077	3.514	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Br)c4C4CC4)[C@H]3SC2)s1	ZINC000097949157	553799954	/nfs/dbraw/zinc/79/99/54/553799954.db2.gz	KKPRHXAKGUKQMO-LXZCPCIYSA-N	-1	0	653.528	3.794	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Br)c4C4CC4)[C@@H]3SC2)s1	ZINC000097949158	553799865	/nfs/dbraw/zinc/79/98/65/553799865.db2.gz	KKPRHXAKGUKQMO-DWPNVEHISA-N	-1	0	653.528	3.794	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Br)c4C4CC4)[C@H]3SC2)s1	ZINC000097949159	553799988	/nfs/dbraw/zinc/79/99/88/553799988.db2.gz	KKPRHXAKGUKQMO-ZPEWRENVSA-N	-1	0	653.528	3.794	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Br)c4C4CC4)[C@@H]3SC2)s1	ZINC000097949160	553799937	/nfs/dbraw/zinc/79/99/37/553799937.db2.gz	KKPRHXAKGUKQMO-RKIARWQSSA-N	-1	0	653.528	3.794	40	0		KHABRM
COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)C2=O)cc1OC	ZINC000097955880	553834858	/nfs/dbraw/zinc/83/48/58/553834858.db2.gz	KCAYKVFXSKMZSY-LPYMAVHISA-N	-1	0	583.648	3.586	40	0		KHABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN([C@@H](c4nnnn4C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc4)C(=O)[C@@H]13)O2	ZINC000097957113	553844563	/nfs/dbraw/zinc/84/45/63/553844563.db2.gz	CXXROTRHFWUWOR-DKSVFPKCSA-N	-1	0	554.006	3.920	40	0		KHABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN([C@H](c4nnnn4C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc4)C(=O)[C@@H]13)O2	ZINC000097957114	553844491	/nfs/dbraw/zinc/84/44/91/553844491.db2.gz	CXXROTRHFWUWOR-IMBWPQHTSA-N	-1	0	554.006	3.920	40	0		KHABRM
Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000097957176	553844762	/nfs/dbraw/zinc/84/47/62/553844762.db2.gz	NXKWLMKNJFUVHM-CQVUMHHCSA-N	-1	0	526.380	3.542	40	0		KHABRM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4sc(C(=O)OC(C)C)c(C)c4C(=O)OC(C)C)CC3)nc21	ZINC000098008167	554066668	/nfs/dbraw/zinc/06/66/68/554066668.db2.gz	WFNQYNOBQNYMTC-UHFFFAOYSA-N	-1	0	630.749	3.529	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccccc2)C[C@H]1c1ccccc1	ZINC000098045949	554134684	/nfs/dbraw/zinc/13/46/84/554134684.db2.gz	GZUCNTPLJFNDCK-QXWFJRNPSA-N	-1	0	550.472	3.914	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1	ZINC000098045950	554134659	/nfs/dbraw/zinc/13/46/59/554134659.db2.gz	GZUCNTPLJFNDCK-VPHKFGTKSA-N	-1	0	550.472	3.914	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000098045998	554135011	/nfs/dbraw/zinc/13/50/11/554135011.db2.gz	YAPLCPJIZWPFGF-STXQHDJLSA-N	-1	0	540.555	3.814	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000098046000	554134999	/nfs/dbraw/zinc/13/49/99/554134999.db2.gz	PCYNKWCZNZLSDF-PKXQUSJVSA-N	-1	0	536.592	3.983	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1	ZINC000098046005	554135258	/nfs/dbraw/zinc/13/52/58/554135258.db2.gz	DDNBIKIMHZHHII-HVCNVCAESA-N	-1	0	544.518	3.959	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1	ZINC000098046006	554135173	/nfs/dbraw/zinc/13/51/73/554135173.db2.gz	DDNBIKIMHZHHII-VJTSUQJLSA-N	-1	0	544.518	3.959	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)Cc1ccccc1	ZINC000100007445	554178759	/nfs/dbraw/zinc/17/87/59/554178759.db2.gz	PBNGEJZXSXVDJO-UHFFFAOYSA-N	-1	0	566.158	3.650	40	0		KHABRM
CCCCCC(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)[O-]	ZINC000100007523	554178779	/nfs/dbraw/zinc/17/87/79/554178779.db2.gz	UCGNRJIDYQWPEF-UHFFFAOYSA-N	-1	0	546.168	3.987	40	0		KHABRM
COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(I)cc1C(=O)[O-]	ZINC000100007567	554178753	/nfs/dbraw/zinc/17/87/53/554178753.db2.gz	QPRJEBSCCKTHQW-UHFFFAOYSA-N	-1	0	535.157	3.887	40	0		KHABRM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1cc(I)ccc1I	ZINC000100007574	554178719	/nfs/dbraw/zinc/17/87/19/554178719.db2.gz	ZIWSBABFBXSWFL-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccccc1I	ZINC000100007789	554179077	/nfs/dbraw/zinc/17/90/77/554179077.db2.gz	DLMFRDYNFKAKIY-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
CCCCC(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)[O-]	ZINC000100007833	554179080	/nfs/dbraw/zinc/17/90/80/554179080.db2.gz	KDBZMYPNYGSOQR-UHFFFAOYSA-N	-1	0	532.141	3.597	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1ccc(F)cc1	ZINC000100007926	554179087	/nfs/dbraw/zinc/17/90/87/554179087.db2.gz	OPKCDHFSTSYBBA-UHFFFAOYSA-N	-1	0	570.121	3.860	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1ccc(I)cc1	ZINC000100007934	554179304	/nfs/dbraw/zinc/17/93/04/554179304.db2.gz	BFBUSKZVYKRFOK-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)c1cccc(I)c1	ZINC000100008047	554179331	/nfs/dbraw/zinc/17/93/31/554179331.db2.gz	UEDYPKDZALJWSK-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
O=C([O-])c1ccc(NC(=S)NC(=O)c2cc(I)ccc2I)cc1	ZINC000100008054	554179297	/nfs/dbraw/zinc/17/92/97/554179297.db2.gz	VVONUUYWLROCCU-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
COc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C(=O)[O-])cc1Br	ZINC000100008095	554179284	/nfs/dbraw/zinc/17/92/84/554179284.db2.gz	FMOYDJFACHRJOB-UHFFFAOYSA-N	-1	0	535.157	3.887	40	0		KHABRM
COc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1	ZINC000100008141	554179306	/nfs/dbraw/zinc/17/93/06/554179306.db2.gz	GPTQLUQUOBNTMC-UHFFFAOYSA-N	-1	0	582.157	3.729	40	0		KHABRM
COc1cccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1	ZINC000100008310	554179539	/nfs/dbraw/zinc/17/95/39/554179539.db2.gz	QLTGSLCWGAVKEU-UHFFFAOYSA-N	-1	0	582.157	3.729	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1ccccc1F	ZINC000100008402	554179801	/nfs/dbraw/zinc/17/98/01/554179801.db2.gz	WGTPIOGUDLPKGW-UHFFFAOYSA-N	-1	0	570.121	3.860	40	0		KHABRM
COc1ccccc1C(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)[O-]	ZINC000100008423	554179778	/nfs/dbraw/zinc/17/97/78/554179778.db2.gz	AHKNWZLMTJDNQE-UHFFFAOYSA-N	-1	0	582.157	3.729	40	0		KHABRM
Cc1ccccc1OCC(=O)NC(=S)Nc1c(I)cc(I)cc1C(=O)[O-]	ZINC000100008508	554179785	/nfs/dbraw/zinc/17/97/85/554179785.db2.gz	VLCXOMMHMDANQF-UHFFFAOYSA-N	-1	0	596.184	3.794	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1ccccc1	ZINC000100008641	554180042	/nfs/dbraw/zinc/18/00/42/554180042.db2.gz	PAFGADQBXCDJRQ-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cc(I)ccc2I)c1	ZINC000100008689	554180338	/nfs/dbraw/zinc/18/03/38/554180338.db2.gz	VJJDRWQVDABYKY-UHFFFAOYSA-N	-1	0	552.131	3.721	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1cccs1	ZINC000100008708	554180344	/nfs/dbraw/zinc/18/03/44/554180344.db2.gz	MYNAJSGTEYLPIJ-UHFFFAOYSA-N	-1	0	558.160	3.782	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)C(Cl)(Cl)Cl	ZINC000100008720	554180325	/nfs/dbraw/zinc/18/03/25/554180325.db2.gz	RRYFPXYKPCTDEU-UHFFFAOYSA-N	-1	0	593.395	3.777	40	0		KHABRM
O=C([O-])c1cc(I)ccc1NC(=S)NC(=O)COc1ccc(Br)cc1	ZINC000100008768	554180368	/nfs/dbraw/zinc/18/03/68/554180368.db2.gz	BPKCYAFSWGCZOE-UHFFFAOYSA-N	-1	0	535.157	3.644	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)/C=C/c1ccco1	ZINC000100008918	554180312	/nfs/dbraw/zinc/18/03/12/554180312.db2.gz	QHNSUKMJEHJEEQ-ONEGZZNKSA-N	-1	0	568.130	3.713	40	0		KHABRM
Cc1ccc(OCC(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])cc1	ZINC000100008930	554180354	/nfs/dbraw/zinc/18/03/54/554180354.db2.gz	OMOXZGOUSNHYEL-UHFFFAOYSA-N	-1	0	596.184	3.794	40	0		KHABRM
Cc1cccc(OCC(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)[O-])c1	ZINC000100008937	554180310	/nfs/dbraw/zinc/18/03/10/554180310.db2.gz	VACGKEUTCKVJRQ-UHFFFAOYSA-N	-1	0	596.184	3.794	40	0		KHABRM
O=C([O-])c1cc(I)cc(I)c1NC(=S)NC(=O)c1cccc(F)c1	ZINC000100008963	554180333	/nfs/dbraw/zinc/18/03/33/554180333.db2.gz	LHEINUFBHASCAA-UHFFFAOYSA-N	-1	0	570.121	3.860	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)CC2)cc1	ZINC000100086176	554209000	/nfs/dbraw/zinc/20/90/00/554209000.db2.gz	KCOZIMJALAALIT-UHFFFAOYSA-N	-1	0	548.086	3.904	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2)cc1	ZINC000100090411	554210720	/nfs/dbraw/zinc/21/07/20/554210720.db2.gz	PNTUXQOQSYNYFT-HXUWFJFHSA-N	-1	0	543.667	3.844	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3)C2)cc1	ZINC000100090418	554210657	/nfs/dbraw/zinc/21/06/57/554210657.db2.gz	PNTUXQOQSYNYFT-FQEVSTJZSA-N	-1	0	543.667	3.844	40	0		KHABRM
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)Oc2ccccc21	ZINC000100090559	554210705	/nfs/dbraw/zinc/21/07/05/554210705.db2.gz	IWBGNCKZCYQNKZ-XMMPIXPASA-N	-1	0	529.640	3.660	40	0		KHABRM
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)Oc2ccccc21	ZINC000100090563	554210655	/nfs/dbraw/zinc/21/06/55/554210655.db2.gz	IWBGNCKZCYQNKZ-DEOSSOPVSA-N	-1	0	529.640	3.660	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)C2)cc1	ZINC000100093842	554214273	/nfs/dbraw/zinc/21/42/73/554214273.db2.gz	ZDFKLTOWINMGSH-IBGZPJMESA-N	-1	0	529.640	3.535	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)C2)cc1	ZINC000100093847	554214333	/nfs/dbraw/zinc/21/43/33/554214333.db2.gz	ZDFKLTOWINMGSH-LJQANCHMSA-N	-1	0	529.640	3.535	40	0		KHABRM
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)Oc2ccccc21	ZINC000100093964	554214249	/nfs/dbraw/zinc/21/42/49/554214249.db2.gz	PVXNCLMDBLLJRT-JOCHJYFZSA-N	-1	0	536.031	3.697	40	0		KHABRM
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)Oc2ccccc21	ZINC000100093968	554214237	/nfs/dbraw/zinc/21/42/37/554214237.db2.gz	PVXNCLMDBLLJRT-QFIPXVFZSA-N	-1	0	536.031	3.697	40	0		KHABRM
CNC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1OC	ZINC000100093990	554214387	/nfs/dbraw/zinc/21/43/87/554214387.db2.gz	PIZLYSQKBUNCMQ-UHFFFAOYSA-N	-1	0	544.438	3.963	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3)C2)cc1	ZINC000100094498	554215106	/nfs/dbraw/zinc/21/51/06/554215106.db2.gz	JIIQHRWYXGTODR-IBGZPJMESA-N	-1	0	589.692	3.553	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(OC)cc4OC)cc3)C2)cc1	ZINC000100094502	554215076	/nfs/dbraw/zinc/21/50/76/554215076.db2.gz	JIIQHRWYXGTODR-LJQANCHMSA-N	-1	0	589.692	3.553	40	0		KHABRM
CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1)S(C)(=O)=O	ZINC000100095252	554215844	/nfs/dbraw/zinc/21/58/44/554215844.db2.gz	XJXGVFBUCHJMJR-UHFFFAOYSA-N	-1	0	533.628	3.543	40	0		KHABRM
Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(S(=O)(=O)c3ccc4oc(C(=O)[O-])c(C)c4c3)CC2)n1	ZINC000100166658	554236820	/nfs/dbraw/zinc/23/68/20/554236820.db2.gz	GYOLMXJMONMZJR-UHFFFAOYSA-N	-1	0	546.609	3.696	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000100204898	554248115	/nfs/dbraw/zinc/24/81/15/554248115.db2.gz	YOYYBLMLLHKXMB-MGSPXPDISA-N	-1	0	532.549	3.896	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000100204904	554248045	/nfs/dbraw/zinc/24/80/45/554248045.db2.gz	YOYYBLMLLHKXMB-XPCGLTFESA-N	-1	0	532.549	3.896	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000100208360	554248588	/nfs/dbraw/zinc/24/85/88/554248588.db2.gz	DPORHRQEWRMFEX-MGSPXPDISA-N	-1	0	532.549	3.896	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000100208365	554248697	/nfs/dbraw/zinc/24/86/97/554248697.db2.gz	DPORHRQEWRMFEX-XPCGLTFESA-N	-1	0	532.549	3.896	40	0		KHABRM
CCOC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000100219863	554251490	/nfs/dbraw/zinc/25/14/90/554251490.db2.gz	YTTHRTQZFZNGQA-GFCCVEGCSA-N	-1	0	561.154	3.600	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000100220653	554251801	/nfs/dbraw/zinc/25/18/01/554251801.db2.gz	UXFQPUGYLOFOET-LAINMTBBSA-N	-1	0	547.416	3.569	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000100220655	554251773	/nfs/dbraw/zinc/25/17/73/554251773.db2.gz	UXFQPUGYLOFOET-DGKKPVBHSA-N	-1	0	547.416	3.569	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000100305941	554294090	/nfs/dbraw/zinc/29/40/90/554294090.db2.gz	VMTUREBTJPAUIS-NYIUWGNGSA-N	-1	0	571.051	3.657	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000100305944	554294107	/nfs/dbraw/zinc/29/41/07/554294107.db2.gz	VMTUREBTJPAUIS-MVQVQHCTSA-N	-1	0	571.051	3.657	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000100307433	554295742	/nfs/dbraw/zinc/29/57/42/554295742.db2.gz	RTLCOTTVJUQUDY-XSZPGNIMSA-N	-1	0	544.585	3.765	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000100344724	554329670	/nfs/dbraw/zinc/32/96/70/554329670.db2.gz	QHCYROMPHWQXHK-LICLKQGHSA-N	-1	0	536.322	3.880	40	0		KHABRM
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NOC2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@H]12	ZINC000100355283	554335021	/nfs/dbraw/zinc/33/50/21/554335021.db2.gz	RTVOULDYLGYXQU-AUSIDOKSSA-N	-1	0	565.380	3.555	40	0		KHABRM
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NOC2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@H]12	ZINC000100355285	554335056	/nfs/dbraw/zinc/33/50/56/554335056.db2.gz	RTVOULDYLGYXQU-XXBNENTESA-N	-1	0	565.380	3.555	40	0		KHABRM
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NOC2=C([O-])N(c3ccc(Br)cc3)C(=O)[C@@H]12	ZINC000100355288	554335076	/nfs/dbraw/zinc/33/50/76/554335076.db2.gz	RTVOULDYLGYXQU-WMZHIEFXSA-N	-1	0	565.380	3.555	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SC4=C([O-])CC(C)(C)CC4=O)o3)cc2)cc1	ZINC000100372914	554357832	/nfs/dbraw/zinc/35/78/32/554357832.db2.gz	DZTWWXOUBPMAFN-UHFFFAOYSA-N	-1	0	501.586	3.965	40	0		KHABRM
CSCC[C@@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000100381725	554363519	/nfs/dbraw/zinc/36/35/19/554363519.db2.gz	GTBKMENUFIXGPI-PCRWRXJSSA-N	-1	0	546.237	3.898	40	0		KHABRM
CSCC[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000100381727	554363405	/nfs/dbraw/zinc/36/34/05/554363405.db2.gz	GTBKMENUFIXGPI-LFGHMXSPSA-N	-1	0	546.237	3.898	40	0		KHABRM
COC(=O)C=C1NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)C1C(=O)N(c2ccccc2)N[C@@H]1CC(=O)OC	ZINC000100430469	554390947	/nfs/dbraw/zinc/39/09/47/554390947.db2.gz	MUUZZUBBESQRKW-LFOKJVLGSA-N	-1	0	598.612	3.777	40	0		KHABRM
COC(=O)C=C1NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)C1C(=O)N(c2ccccc2)N[C@H]1CC(=O)OC	ZINC000100430473	554390951	/nfs/dbraw/zinc/39/09/51/554390951.db2.gz	MUUZZUBBESQRKW-LCRMXPIESA-N	-1	0	598.612	3.777	40	0		KHABRM
COC(=O)C=C1NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)C1C(=O)N(c2ccccc2)N[C@@H]1CC(=O)OC	ZINC000100430476	554390888	/nfs/dbraw/zinc/39/08/88/554390888.db2.gz	MUUZZUBBESQRKW-OVTKCHPXSA-N	-1	0	598.612	3.777	40	0		KHABRM
COC(=O)C=C1NN(c2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)C1C(=O)N(c2ccccc2)N[C@H]1CC(=O)OC	ZINC000100430482	554390929	/nfs/dbraw/zinc/39/09/29/554390929.db2.gz	MUUZZUBBESQRKW-HTZJHERLSA-N	-1	0	598.612	3.777	40	0		KHABRM
CCOC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000100437974	554393036	/nfs/dbraw/zinc/39/30/36/554393036.db2.gz	YTTHRTQZFZNGQA-LBPRGKRZSA-N	-1	0	561.154	3.600	40	0		KHABRM
O=C1OC(c2ccccc2)=N/C1=C/c1cc(I)c([O-])c(I)c1	ZINC000100460389	554397788	/nfs/dbraw/zinc/39/77/88/554397788.db2.gz	CBIWTUHQROFNDG-MDWZMJQESA-N	-1	0	517.060	3.946	40	0		KHABRM
O=C(c1cccc(F)c1)N1CCc2nc3cc([C@@H]4CCCN(C(=O)c5cccc(F)c5)C4)[n-]n3c(=O)c2C1	ZINC000100492993	554403648	/nfs/dbraw/zinc/40/36/48/554403648.db2.gz	UDBAJRQWUSAYDV-LJQANCHMSA-N	-1	0	517.536	3.931	40	0		KHABRM
O=C(c1cccc(F)c1)N1CCc2nc3cc([C@H]4CCCN(C(=O)c5cccc(F)c5)C4)[n-]n3c(=O)c2C1	ZINC000100492995	554403305	/nfs/dbraw/zinc/40/33/05/554403305.db2.gz	UDBAJRQWUSAYDV-IBGZPJMESA-N	-1	0	517.536	3.931	40	0		KHABRM
O=C(Cc1cccs1)N1CCc2nc3cc([C@@H]4CCCN(C(=O)Cc5cccs5)C4)[n-]n3c(=O)c2C1	ZINC000100493003	554403658	/nfs/dbraw/zinc/40/36/58/554403658.db2.gz	NXIQNSYAWITKHW-QGZVFWFLSA-N	-1	0	521.668	3.634	40	0		KHABRM
O=C(Cc1cccs1)N1CCc2nc3cc([C@H]4CCCN(C(=O)Cc5cccs5)C4)[n-]n3c(=O)c2C1	ZINC000100493005	554403391	/nfs/dbraw/zinc/40/33/91/554403391.db2.gz	NXIQNSYAWITKHW-KRWDZBQOSA-N	-1	0	521.668	3.634	40	0		KHABRM
O=C(c1ccccc1F)N1CCc2nc3cc([C@@H]4CCCN(C(=O)c5ccccc5F)C4)[n-]n3c(=O)c2C1	ZINC000100493011	554403293	/nfs/dbraw/zinc/40/32/93/554403293.db2.gz	DYADJSHOFDCBLK-QGZVFWFLSA-N	-1	0	517.536	3.931	40	0		KHABRM
O=C(c1ccccc1F)N1CCc2nc3cc([C@H]4CCCN(C(=O)c5ccccc5F)C4)[n-]n3c(=O)c2C1	ZINC000100493012	554403536	/nfs/dbraw/zinc/40/35/36/554403536.db2.gz	DYADJSHOFDCBLK-KRWDZBQOSA-N	-1	0	517.536	3.931	40	0		KHABRM
COc1cccc(C(=O)N2CCc3nc4cc([C@@H]5CCCN(C(=O)c6cccc(OC)c6)C5)[n-]n4c(=O)c3C2)c1	ZINC000100493024	554403233	/nfs/dbraw/zinc/40/32/33/554403233.db2.gz	WGVIAJOBYHVJOR-OAQYLSRUSA-N	-1	0	541.608	3.670	40	0		KHABRM
COc1cccc(C(=O)N2CCc3nc4cc([C@H]5CCCN(C(=O)c6cccc(OC)c6)C5)[n-]n4c(=O)c3C2)c1	ZINC000100493026	554403634	/nfs/dbraw/zinc/40/36/34/554403634.db2.gz	WGVIAJOBYHVJOR-NRFANRHFSA-N	-1	0	541.608	3.670	40	0		KHABRM
CCCc1nn2c(nc([O-])c(C(c3cccc(Cl)c3)c3c(O)nc4sc(CCC)nn4c3=O)c2=O)s1	ZINC000100538994	554412361	/nfs/dbraw/zinc/41/23/61/554412361.db2.gz	OVWJALRHHUOWDJ-UHFFFAOYSA-N	-1	0	545.046	3.765	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(Br)cc3)cc2)nn1	ZINC000100555413	554416072	/nfs/dbraw/zinc/41/60/72/554416072.db2.gz	ZISNUAKEHXQJLF-UUILKARUSA-N	-1	0	548.444	3.575	40	0		KHABRM
O=C(Nc1cccc2nsnc21)c1cc(I)cc(I)c1[O-]	ZINC000100577992	554423979	/nfs/dbraw/zinc/42/39/79/554423979.db2.gz	FSEYITWXRMBBKB-UHFFFAOYSA-N	-1	0	523.093	3.858	40	0		KHABRM
CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000100769583	554471157	/nfs/dbraw/zinc/47/11/57/554471157.db2.gz	MBSFIHXGCSJSQZ-YDLSIGKMSA-N	-1	0	547.718	3.594	40	0		KHABRM
CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000100769677	554471147	/nfs/dbraw/zinc/47/11/47/554471147.db2.gz	MKUWTLUBAZBQTF-BJESRGMDSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000100771127	554471350	/nfs/dbraw/zinc/47/13/50/554471350.db2.gz	CBWJKXILXQCQBK-LCNLMQJVSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000100771130	554471241	/nfs/dbraw/zinc/47/12/41/554471241.db2.gz	CBWJKXILXQCQBK-HMWDHGCWSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000100771971	554471346	/nfs/dbraw/zinc/47/13/46/554471346.db2.gz	LDWLOOALTYTPDA-WSWWRLHASA-N	-1	0	503.640	3.791	40	0		KHABRM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000100772551	554471669	/nfs/dbraw/zinc/47/16/69/554471669.db2.gz	LJFXMYJWGWDOHP-QHGDMDKLSA-N	-1	0	503.640	3.791	40	0		KHABRM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000100772552	554471649	/nfs/dbraw/zinc/47/16/49/554471649.db2.gz	LJFXMYJWGWDOHP-OPNZPCBVSA-N	-1	0	503.640	3.791	40	0		KHABRM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100772878	554471679	/nfs/dbraw/zinc/47/16/79/554471679.db2.gz	LYMXNSRLLOTYJX-LCNLMQJVSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100772879	554471618	/nfs/dbraw/zinc/47/16/18/554471618.db2.gz	LYMXNSRLLOTYJX-HMWDHGCWSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000100775138	554471852	/nfs/dbraw/zinc/47/18/52/554471852.db2.gz	MKUWTLUBAZBQTF-GSPCLOLRSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100777123	554472206	/nfs/dbraw/zinc/47/22/06/554472206.db2.gz	KNKLOMDMKABDAR-BJESRGMDSA-N	-1	0	517.667	3.661	40	0		KHABRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000100777489	554472194	/nfs/dbraw/zinc/47/21/94/554472194.db2.gz	QMOCMIMHTHCRRA-UHRQBARKSA-N	-1	0	537.657	3.987	40	0		KHABRM
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1	ZINC000100777967	554472187	/nfs/dbraw/zinc/47/21/87/554472187.db2.gz	LDWLOOALTYTPDA-FVTFTPSCSA-N	-1	0	503.640	3.791	40	0		KHABRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100781040	554472493	/nfs/dbraw/zinc/47/24/93/554472493.db2.gz	ZYBXFVWSQYBVRU-QYOOZWMWSA-N	-1	0	551.684	3.857	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000100859905	554494384	/nfs/dbraw/zinc/49/43/84/554494384.db2.gz	ZRKNTBZKTMDLDC-AFESJLNVSA-N	-1	0	526.528	3.505	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000100949398	554537072	/nfs/dbraw/zinc/53/70/72/554537072.db2.gz	JIDFJGTVGSHEKS-WSDUQJHMSA-N	-1	0	533.831	3.920	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000100949400	554536983	/nfs/dbraw/zinc/53/69/83/554536983.db2.gz	JIDFJGTVGSHEKS-DDYRAIOVSA-N	-1	0	533.831	3.920	40	0		KHABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)S2)cc1	ZINC000100949646	554537019	/nfs/dbraw/zinc/53/70/19/554537019.db2.gz	ZSAZGVCIJWZOLK-SYEXPRJDSA-N	-1	0	540.379	3.925	40	0		KHABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)S2)cc1	ZINC000100949648	554537022	/nfs/dbraw/zinc/53/70/22/554537022.db2.gz	ZSAZGVCIJWZOLK-OIOSCTRGSA-N	-1	0	540.379	3.925	40	0		KHABRM
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2N)cc1	ZINC000100976909	554547024	/nfs/dbraw/zinc/54/70/24/554547024.db2.gz	WWHNJXAOBZACOZ-UHFFFAOYSA-N	-1	0	543.700	3.945	40	0		KHABRM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3N)cc2)nc(C)n1	ZINC000100976971	554546967	/nfs/dbraw/zinc/54/69/67/554546967.db2.gz	GCOPEODYEKDJOD-UHFFFAOYSA-N	-1	0	566.713	3.895	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@H]3SC2)s1	ZINC000100991040	554550099	/nfs/dbraw/zinc/55/00/99/554550099.db2.gz	KQALXJNXEZKZFR-LXZCPCIYSA-N	-1	0	609.077	3.685	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](C)n4nc(C(F)(F)F)c(Cl)c4C4CC4)[C@@H]3SC2)s1	ZINC000100991044	554550101	/nfs/dbraw/zinc/55/01/01/554550101.db2.gz	KQALXJNXEZKZFR-DWPNVEHISA-N	-1	0	609.077	3.685	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccc(Cl)cc4)C3=O)cc2)nn1	ZINC000101001890	554552561	/nfs/dbraw/zinc/55/25/61/554552561.db2.gz	BLWWCWWHXJCONX-PDGQHHTCSA-N	-1	0	560.013	3.614	40	0		KHABRM
CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101264985	554698379	/nfs/dbraw/zinc/69/83/79/554698379.db2.gz	HBOHBKMCRISKQB-KZTDQWPFSA-N	-1	0	529.678	3.887	40	0		KHABRM
CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101310977	554718514	/nfs/dbraw/zinc/71/85/14/554718514.db2.gz	XPYVIZGEBVODKI-ULSZTJCNSA-N	-1	0	529.678	3.887	40	0		KHABRM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101310979	554718508	/nfs/dbraw/zinc/71/85/08/554718508.db2.gz	XPYVIZGEBVODKI-WOLONVGXSA-N	-1	0	529.678	3.887	40	0		KHABRM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(F)cc(Br)cc3F)cc2)s1	ZINC000101362169	554743278	/nfs/dbraw/zinc/74/32/78/554743278.db2.gz	QVLSLPZDEQFOFM-UHFFFAOYSA-N	-1	0	533.376	3.960	40	0		KHABRM
COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)NC[C@H]4CC[C@H](C(=O)N[C@H](C(=O)[O-])c5ccccc5)CC4)CC3)c(=O)oc2c1	ZINC000101367029	554743967	/nfs/dbraw/zinc/74/39/67/554743967.db2.gz	ZCOWHFVTPHDLGJ-DEDGKJITSA-N	-1	0	631.726	3.756	40	0		KHABRM
O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000101373317	554745077	/nfs/dbraw/zinc/74/50/77/554745077.db2.gz	OPAHSIHYNDTCMI-UHFFFAOYSA-N	-1	0	533.682	3.852	40	0		KHABRM
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000101518000	554794013	/nfs/dbraw/zinc/79/40/13/554794013.db2.gz	LTIUFYVMOPWWMY-ZMIGGIFCSA-N	-1	0	525.586	3.581	40	0		KHABRM
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000101518008	554794011	/nfs/dbraw/zinc/79/40/11/554794011.db2.gz	LTIUFYVMOPWWMY-OWXSRONMSA-N	-1	0	525.586	3.581	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccccc2)C[C@H]1c1ccccc1	ZINC000101995359	554865141	/nfs/dbraw/zinc/86/51/41/554865141.db2.gz	GZUCNTPLJFNDCK-BFMBIBTESA-N	-1	0	550.472	3.914	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3c(F)c(F)cc(F)c3F)c(=O)c1=2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1	ZINC000101995361	554865118	/nfs/dbraw/zinc/86/51/18/554865118.db2.gz	GZUCNTPLJFNDCK-HFRGRHLUSA-N	-1	0	550.472	3.914	40	0		KHABRM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1	ZINC000101999657	554865605	/nfs/dbraw/zinc/86/56/05/554865605.db2.gz	IYSCPNWELIZLAB-URORMMCBSA-N	-1	0	506.566	3.920	40	0		KHABRM
Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O	ZINC000102000115	554865809	/nfs/dbraw/zinc/86/58/09/554865809.db2.gz	ONHOSMOWWQDRKT-RMDSEJHCSA-N	-1	0	506.566	3.975	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1	ZINC000102001393	554865969	/nfs/dbraw/zinc/86/59/69/554865969.db2.gz	TYBYZVMWOIUZKT-STXQHDJLSA-N	-1	0	522.565	3.675	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000102001677	554866262	/nfs/dbraw/zinc/86/62/62/554866262.db2.gz	PCYNKWCZNZLSDF-FPNNDXFKSA-N	-1	0	536.592	3.983	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1	ZINC000102001911	554866222	/nfs/dbraw/zinc/86/62/22/554866222.db2.gz	DDNBIKIMHZHHII-ZKMPZPQNSA-N	-1	0	544.518	3.959	40	0		KHABRM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2ccc(OC(F)F)cc2)C[C@@H]1c1ccccc1	ZINC000102001915	554866204	/nfs/dbraw/zinc/86/62/04/554866204.db2.gz	DDNBIKIMHZHHII-PZUNEJSGSA-N	-1	0	544.518	3.959	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000102435381	554927833	/nfs/dbraw/zinc/92/78/33/554927833.db2.gz	YAPLCPJIZWPFGF-FXVJXKIMSA-N	-1	0	540.555	3.814	40	0		KHABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](c4nnnn4C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc4)C(=O)[C@H]13)O2	ZINC000102789458	555068814	/nfs/dbraw/zinc/06/88/14/555068814.db2.gz	CXXROTRHFWUWOR-SIDWOGMKSA-N	-1	0	554.006	3.920	40	0		KHABRM
O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN([C@@H](c4nnnn4C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc4)C(=O)[C@H]13)O2	ZINC000102789462	555068770	/nfs/dbraw/zinc/06/87/70/555068770.db2.gz	CXXROTRHFWUWOR-MNZHTYBWSA-N	-1	0	554.006	3.920	40	0		KHABRM
Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O	ZINC000102790301	555069010	/nfs/dbraw/zinc/06/90/10/555069010.db2.gz	NXKWLMKNJFUVHM-YGBQNAPDSA-N	-1	0	526.380	3.542	40	0		KHABRM
Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O	ZINC000102790304	555069029	/nfs/dbraw/zinc/06/90/29/555069029.db2.gz	NXKWLMKNJFUVHM-OSGDMWDGSA-N	-1	0	526.380	3.542	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)C(O)=CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000102978449	555187008	/nfs/dbraw/zinc/18/70/08/555187008.db2.gz	HLWSVCPTGYDDBK-NRFANRHFSA-N	-1	0	513.502	3.974	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)C(O)=CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O	ZINC000102978453	555186984	/nfs/dbraw/zinc/18/69/84/555186984.db2.gz	HLWSVCPTGYDDBK-OAQYLSRUSA-N	-1	0	513.502	3.974	40	0		KHABRM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)c=3c2=O)cc1	ZINC000103151746	555317258	/nfs/dbraw/zinc/31/72/58/555317258.db2.gz	IYSCPNWELIZLAB-STXQHDJLSA-N	-1	0	506.566	3.920	40	0		KHABRM
COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000103152189	555318132	/nfs/dbraw/zinc/31/81/32/555318132.db2.gz	PCYNKWCZNZLSDF-BIYCFNCWSA-N	-1	0	536.592	3.983	40	0		KHABRM
O=C(OC[C@H]1O[C@H](n2ncc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000103257885	555346311	/nfs/dbraw/zinc/34/63/11/555346311.db2.gz	SZFMEFKXFONLHR-VZVHPENPSA-N	-1	0	573.583	3.506	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000103405075	555391188	/nfs/dbraw/zinc/39/11/88/555391188.db2.gz	YTEFVMABQAYYNX-YDDDLDHRSA-N	-1	0	562.095	3.748	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000103405077	555391234	/nfs/dbraw/zinc/39/12/34/555391234.db2.gz	YTEFVMABQAYYNX-MSPCSAMASA-N	-1	0	562.095	3.748	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000103405078	555391249	/nfs/dbraw/zinc/39/12/49/555391249.db2.gz	YTEFVMABQAYYNX-PQLSTBEISA-N	-1	0	562.095	3.748	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000103405080	555391254	/nfs/dbraw/zinc/39/12/54/555391254.db2.gz	YTEFVMABQAYYNX-UVJUWTQOSA-N	-1	0	562.095	3.748	40	0		KHABRM
CCNC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OCc1ccccc1	ZINC000103509373	555421965	/nfs/dbraw/zinc/42/19/65/555421965.db2.gz	KDJRFUBIPJIVSW-MRXNPFEDSA-N	-1	0	594.187	3.575	40	0		KHABRM
CCNC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OCc1ccccc1	ZINC000103509374	555421980	/nfs/dbraw/zinc/42/19/80/555421980.db2.gz	KDJRFUBIPJIVSW-INIZCTEOSA-N	-1	0	594.187	3.575	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000103512027	555422332	/nfs/dbraw/zinc/42/23/32/555422332.db2.gz	QZRRGANWCNOZGB-LICXLWGISA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000103512029	555422261	/nfs/dbraw/zinc/42/22/61/555422261.db2.gz	QZRRGANWCNOZGB-RZYZHNGTSA-N	-1	0	607.468	3.586	40	0		KHABRM
Cc1nc2ccc(S(=O)(=O)[O-])cc2c(=O)n1-c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2cccc(Br)c2)cc1	ZINC000103550070	555443163	/nfs/dbraw/zinc/44/31/63/555443163.db2.gz	DCDKOQTXVVTOOC-RUZDIDTESA-N	-1	0	615.487	3.622	40	0		KHABRM
COc1cc(OC)c(CNC(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1	ZINC000103636273	555460125	/nfs/dbraw/zinc/46/01/25/555460125.db2.gz	RGZYXRAMAQAJGQ-XMMPIXPASA-N	-1	0	534.565	3.711	40	0		KHABRM
O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1c1ccc(I)cc1	ZINC000103770334	555474612	/nfs/dbraw/zinc/47/46/12/555474612.db2.gz	KQCHYTJNLUXAOJ-UHFFFAOYSA-N	-1	0	540.361	3.916	40	0		KHABRM
O=C([O-])CNC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Br)cc1	ZINC000103825566	1066885833	/nfs/dbraw/zinc/88/58/33/1066885833.db2.gz	MSZWNZUNLYOYRS-KGENOOAVSA-N	-1	0	522.355	3.673	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000103904083	571369140	/nfs/dbraw/zinc/36/91/40/571369140.db2.gz	NUESPHRLEDHVCH-WQNUKSJVSA-N	-1	0	598.633	3.804	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000103904088	571369173	/nfs/dbraw/zinc/36/91/73/571369173.db2.gz	NUESPHRLEDHVCH-GKTKDVHMSA-N	-1	0	598.633	3.804	40	0		KHABRM
COc1ccc(Oc2c(I)cc(C[C@H](NC(C)=O)C(=O)[O-])cc2I)cc1	ZINC000104059094	571372048	/nfs/dbraw/zinc/37/20/48/571372048.db2.gz	BFCLKBBUOZJXOQ-INIZCTEOSA-N	-1	0	581.144	3.829	40	0		KHABRM
COc1cc([C@H]2c3cc4c(cc3[C@H](OC(=O)c3ccccc3C(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000104283426	571378330	/nfs/dbraw/zinc/37/83/30/571378330.db2.gz	IXWWPLWYUPGNIQ-UBLBMGLWSA-N	-1	0	562.527	3.972	40	0		KHABRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)c3ccccc3C(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000104283431	571378349	/nfs/dbraw/zinc/37/83/49/571378349.db2.gz	IXWWPLWYUPGNIQ-QNMIOERPSA-N	-1	0	562.527	3.972	40	0		KHABRM
COc1cc([C@H]2c3cc4c(cc3[C@@H](OC(=O)c3ccccc3C(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000104283437	571378311	/nfs/dbraw/zinc/37/83/11/571378311.db2.gz	IXWWPLWYUPGNIQ-YIBJGCDOSA-N	-1	0	562.527	3.972	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	ZINC000104607200	571381673	/nfs/dbraw/zinc/38/16/73/571381673.db2.gz	WVMFQHFPTFUJRO-AXADVEHHSA-N	-1	0	621.495	3.976	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	ZINC000104607207	571381642	/nfs/dbraw/zinc/38/16/42/571381642.db2.gz	WVMFQHFPTFUJRO-XFOXHJFNSA-N	-1	0	621.495	3.976	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3-4)cc2)n1	ZINC000104805950	571386357	/nfs/dbraw/zinc/38/63/57/571386357.db2.gz	ZPTIKYVESTYDNJ-UHFFFAOYSA-N	-1	0	520.592	3.906	40	0		KHABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(I)cc1	ZINC000105303970	571392974	/nfs/dbraw/zinc/39/29/74/571392974.db2.gz	LRSXBURVSYVSIE-UHFFFAOYSA-N	-1	0	523.425	3.996	40	0		KHABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1cccc(I)c1	ZINC000105304005	571393022	/nfs/dbraw/zinc/39/30/22/571393022.db2.gz	PSSPYTKZUIAZTP-UHFFFAOYSA-N	-1	0	523.425	3.996	40	0		KHABRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccccc1I	ZINC000105304036	571393072	/nfs/dbraw/zinc/39/30/72/571393072.db2.gz	WXTLPJNJZXACJL-UHFFFAOYSA-N	-1	0	523.425	3.996	40	0		KHABRM
COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000105308921	571395342	/nfs/dbraw/zinc/39/53/42/571395342.db2.gz	HXGHBUKDQIHVDF-UHFFFAOYSA-N	-1	0	536.429	3.563	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000105496875	571405171	/nfs/dbraw/zinc/40/51/71/571405171.db2.gz	DRFWNYFTZZSHHB-WQLLJXGDSA-N	-1	0	549.432	3.828	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000105496878	571405188	/nfs/dbraw/zinc/40/51/88/571405188.db2.gz	DRFWNYFTZZSHHB-YOGOOIESSA-N	-1	0	549.432	3.828	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000105496892	571405207	/nfs/dbraw/zinc/40/52/07/571405207.db2.gz	PFJGUGWTZOZIFE-WQLLJXGDSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000105496894	571405197	/nfs/dbraw/zinc/40/51/97/571405197.db2.gz	PFJGUGWTZOZIFE-YOGOOIESSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000105497436	571405524	/nfs/dbraw/zinc/40/55/24/571405524.db2.gz	MHSLWOKAFRIFLZ-WQLLJXGDSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000105497440	571405513	/nfs/dbraw/zinc/40/55/13/571405513.db2.gz	MHSLWOKAFRIFLZ-YOGOOIESSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000105497884	571405627	/nfs/dbraw/zinc/40/56/27/571405627.db2.gz	MCWGVUVFTFTZDI-BYHQVZLYSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000105497889	571405690	/nfs/dbraw/zinc/40/56/90/571405690.db2.gz	MCWGVUVFTFTZDI-LYFUXTGPSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000105498665	571405827	/nfs/dbraw/zinc/40/58/27/571405827.db2.gz	TUDUGQQBPNJLTE-JZVSFUAJSA-N	-1	0	563.857	3.928	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000105498668	571405898	/nfs/dbraw/zinc/40/58/98/571405898.db2.gz	TUDUGQQBPNJLTE-JYWRCUDFSA-N	-1	0	563.857	3.928	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000105500567	571406537	/nfs/dbraw/zinc/40/65/37/571406537.db2.gz	WISCOHIWMUVZSP-WSDUQJHMSA-N	-1	0	533.831	3.920	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000105500572	571406550	/nfs/dbraw/zinc/40/65/50/571406550.db2.gz	WISCOHIWMUVZSP-DDYRAIOVSA-N	-1	0	533.831	3.920	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000105501012	571406632	/nfs/dbraw/zinc/40/66/32/571406632.db2.gz	MWVOGBDJFQWJAM-RTXJXEIKSA-N	-1	0	577.840	3.649	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000105501016	571406596	/nfs/dbraw/zinc/40/65/96/571406596.db2.gz	MWVOGBDJFQWJAM-FFMVHGEESA-N	-1	0	577.840	3.649	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000106295430	571411782	/nfs/dbraw/zinc/41/17/82/571411782.db2.gz	ANAFOTYAQAZOGC-IBGZPJMESA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000106295435	571411706	/nfs/dbraw/zinc/41/17/06/571411706.db2.gz	ANAFOTYAQAZOGC-LJQANCHMSA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])c2cc(Cl)ccc2OC)cc1OC	ZINC000106378931	571412309	/nfs/dbraw/zinc/41/23/09/571412309.db2.gz	WIYJPUXOMLVWIB-UHFFFAOYSA-N	-1	0	534.974	3.898	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000106711234	571415233	/nfs/dbraw/zinc/41/52/33/571415233.db2.gz	ZKHDWFRKHKICOE-SXGWCWSVSA-N	-1	0	521.345	3.596	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1Cl	ZINC000106716460	571415625	/nfs/dbraw/zinc/41/56/25/571415625.db2.gz	ACKQJKFBXQCKIJ-UHFFFAOYSA-N	-1	0	535.456	3.655	40	0		KHABRM
O=C(CN1C(=O)S/C(=C\c2cc(Br)c([O-])c(Br)c2)C1=O)N1CCCCC1	ZINC000106757492	571417909	/nfs/dbraw/zinc/41/79/09/571417909.db2.gz	CRLFNIJJFOBFOS-JYRVWZFOSA-N	-1	0	504.200	3.966	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br	ZINC000106758108	571417907	/nfs/dbraw/zinc/41/79/07/571417907.db2.gz	FIDIQHXOXROGJU-ZSOIEALJSA-N	-1	0	562.236	3.724	40	0		KHABRM
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1	ZINC000107850616	571421421	/nfs/dbraw/zinc/42/14/21/571421421.db2.gz	YTECIOOAVJDGOV-UHFFFAOYSA-N	-1	0	513.591	3.753	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1	ZINC000107871806	571421550	/nfs/dbraw/zinc/42/15/50/571421550.db2.gz	YJDFVXTYTSTCNT-INIZCTEOSA-N	-1	0	568.073	3.951	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1	ZINC000107871810	571421572	/nfs/dbraw/zinc/42/15/72/571421572.db2.gz	YJDFVXTYTSTCNT-MRXNPFEDSA-N	-1	0	568.073	3.951	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000108215816	571422737	/nfs/dbraw/zinc/42/27/37/571422737.db2.gz	NUVRJGMPQZHVED-INIZCTEOSA-N	-1	0	568.073	3.951	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000108215821	571422688	/nfs/dbraw/zinc/42/26/88/571422688.db2.gz	NUVRJGMPQZHVED-MRXNPFEDSA-N	-1	0	568.073	3.951	40	0		KHABRM
O=S(=O)(NCCN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl	ZINC000108786465	571426433	/nfs/dbraw/zinc/42/64/33/571426433.db2.gz	JYQDDNGNIWSXLZ-UHFFFAOYSA-N	-1	0	547.313	3.585	40	0		KHABRM
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000109645784	571429726	/nfs/dbraw/zinc/42/97/26/571429726.db2.gz	JOUCRMJJEDXQFN-UHFFFAOYSA-N	-1	0	546.627	3.917	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c1	ZINC000112236740	571434731	/nfs/dbraw/zinc/43/47/31/571434731.db2.gz	AWOXMMZMHWIPNV-UHFFFAOYSA-N	-1	0	565.645	3.829	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)c1ccc2c(c1)OCCO2	ZINC000112256144	571437428	/nfs/dbraw/zinc/43/74/28/571437428.db2.gz	KBPONKPEJBZNHG-UHFFFAOYSA-N	-1	0	559.666	3.670	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1)c1ccc2c(c1)OCO2	ZINC000112256146	571437438	/nfs/dbraw/zinc/43/74/38/571437438.db2.gz	ILHLLPVUXMMBIY-UHFFFAOYSA-N	-1	0	545.639	3.628	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C(=O)N1CCC(C)CC1	ZINC000112256583	571437564	/nfs/dbraw/zinc/43/75/64/571437564.db2.gz	NUSXMPRSIVXZDX-UHFFFAOYSA-N	-1	0	550.684	3.625	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1	ZINC000113491396	571439208	/nfs/dbraw/zinc/43/92/08/571439208.db2.gz	GRUMVFKAZJOKOL-UHFFFAOYSA-N	-1	0	560.698	3.673	40	0		KHABRM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cc1	ZINC000113513138	571439553	/nfs/dbraw/zinc/43/95/53/571439553.db2.gz	JDIFQFGUNLZOHP-UHFFFAOYSA-N	-1	0	518.375	3.833	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)CC2)cc1	ZINC000113632423	571441842	/nfs/dbraw/zinc/44/18/42/571441842.db2.gz	RDSJYLBRGQHAAY-UHFFFAOYSA-N	-1	0	534.059	3.596	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4C)c3)CC2)cc1	ZINC000113632621	571441870	/nfs/dbraw/zinc/44/18/70/571441870.db2.gz	YZICGDQKRDPSMV-UHFFFAOYSA-N	-1	0	548.086	3.904	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2Cl)cc1	ZINC000113632624	571441866	/nfs/dbraw/zinc/44/18/66/571441866.db2.gz	UERSXNVSVNPRHP-UHFFFAOYSA-N	-1	0	548.086	3.904	40	0		KHABRM
CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=C2C(=O)Nc3cc(C(=O)[O-])ccc32)c2ccccc2)cc1	ZINC000114707560	571443352	/nfs/dbraw/zinc/44/33/52/571443352.db2.gz	KEHNCEDHZGQSNP-DQSJHHFOSA-N	-1	0	525.609	3.528	40	0	in-vitro	KHABRM
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](CC(=O)[O-])C[C@@]43O)C2)O[C@H](C)[C@@H]1O	ZINC000118918276	571444635	/nfs/dbraw/zinc/44/46/35/571444635.db2.gz	KDOFJEYFCOARTO-NCFPROHYSA-N	-1	0	576.727	3.840	40	0		KHABRM
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](CC(=O)[O-])C[C@@]43O)C2)O[C@@H](C)[C@@H]1O	ZINC000118918277	571444623	/nfs/dbraw/zinc/44/46/23/571444623.db2.gz	KDOFJEYFCOARTO-OTAIPWCHSA-N	-1	0	576.727	3.840	40	0		KHABRM
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](CC(=O)[O-])C[C@@]43O)C2)O[C@H](C)[C@H]1O	ZINC000118918278	571444629	/nfs/dbraw/zinc/44/46/29/571444629.db2.gz	KDOFJEYFCOARTO-KJSUHHLASA-N	-1	0	576.727	3.840	40	0		KHABRM
CO[C@@H]1C[C@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](CC(=O)[O-])C[C@@]43O)C2)O[C@@H](C)[C@H]1O	ZINC000118918279	571444591	/nfs/dbraw/zinc/44/45/91/571444591.db2.gz	KDOFJEYFCOARTO-LDHWBIQGSA-N	-1	0	576.727	3.840	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000139683505	571453296	/nfs/dbraw/zinc/45/32/96/571453296.db2.gz	YYEOPSQRMPUDLJ-UHFFFAOYSA-N	-1	0	592.021	3.971	40	0		KHABRM
COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1Cl	ZINC000139686086	571453293	/nfs/dbraw/zinc/45/32/93/571453293.db2.gz	QKSNOSGPGPZRSH-UHFFFAOYSA-N	-1	0	582.104	3.741	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1	ZINC000139688428	571453311	/nfs/dbraw/zinc/45/33/11/571453311.db2.gz	FNYBRKVADUHQCH-UHFFFAOYSA-N	-1	0	545.639	3.741	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)n1	ZINC000139691810	571453513	/nfs/dbraw/zinc/45/35/13/571453513.db2.gz	ADWHKBXBAAWJJU-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4c(F)cccc4Cl)CC3)cc2)n1	ZINC000139699084	571453610	/nfs/dbraw/zinc/45/36/10/571453610.db2.gz	CVSWTHDIRHLGEL-UHFFFAOYSA-N	-1	0	596.106	3.867	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	ZINC000139701873	571453464	/nfs/dbraw/zinc/45/34/64/571453464.db2.gz	NIZQUPAFHWRSKS-UHFFFAOYSA-N	-1	0	593.525	3.825	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)n1	ZINC000139704829	571453604	/nfs/dbraw/zinc/45/36/04/571453604.db2.gz	DFPSQWXEJAOVCU-UHFFFAOYSA-N	-1	0	571.725	3.507	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc2)cc1	ZINC000139709361	571453748	/nfs/dbraw/zinc/45/37/48/571453748.db2.gz	AMOIGPMLZQFMIU-UHFFFAOYSA-N	-1	0	581.676	3.980	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1	ZINC000139729168	571453868	/nfs/dbraw/zinc/45/38/68/571453868.db2.gz	DVGSAWHZCIWTMK-KRWDZBQOSA-N	-1	0	552.078	3.649	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1	ZINC000139729333	571453880	/nfs/dbraw/zinc/45/38/80/571453880.db2.gz	DVGSAWHZCIWTMK-QGZVFWFLSA-N	-1	0	552.078	3.649	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccc(F)cc2)cc1OC	ZINC000139732308	571453814	/nfs/dbraw/zinc/45/38/14/571453814.db2.gz	QJYFJDJKGJQLBQ-UHFFFAOYSA-N	-1	0	600.650	3.873	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000139737367	571453882	/nfs/dbraw/zinc/45/38/82/571453882.db2.gz	GMTFEDUSZGQJRX-UHFFFAOYSA-N	-1	0	549.074	3.716	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000139739795	571453870	/nfs/dbraw/zinc/45/38/70/571453870.db2.gz	GPAGDQSZPCJGGD-NRFANRHFSA-N	-1	0	552.078	3.731	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	ZINC000139739943	571453804	/nfs/dbraw/zinc/45/38/04/571453804.db2.gz	GPAGDQSZPCJGGD-OAQYLSRUSA-N	-1	0	552.078	3.731	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(C)cc2)cc1	ZINC000139742298	571453964	/nfs/dbraw/zinc/45/39/64/571453964.db2.gz	CXTRKQOSOUJYDU-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000140023150	571454468	/nfs/dbraw/zinc/45/44/68/571454468.db2.gz	MWRHDPDWWFZMGQ-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)cc2)n1	ZINC000140060999	571454680	/nfs/dbraw/zinc/45/46/80/571454680.db2.gz	ZYNKXFXZAWJUHA-UHFFFAOYSA-N	-1	0	543.671	3.711	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN3c4cccc5cccc(c45)S3(=O)=O)cc2)n1	ZINC000140061778	571454728	/nfs/dbraw/zinc/45/47/28/571454728.db2.gz	BGHUMXCYHRJJCQ-UHFFFAOYSA-N	-1	0	551.650	3.975	40	0		KHABRM
CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000140065758	571454782	/nfs/dbraw/zinc/45/47/82/571454782.db2.gz	QEOHSCROYXIIKV-UHFFFAOYSA-N	-1	0	551.650	3.674	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)n1	ZINC000140078545	571454840	/nfs/dbraw/zinc/45/48/40/571454840.db2.gz	JGXNSDNEHXZYHG-UHFFFAOYSA-N	-1	0	622.567	3.837	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1	ZINC000140080685	571454892	/nfs/dbraw/zinc/45/48/92/571454892.db2.gz	JGZFVLXYCPYMFS-QHCPKHFHSA-N	-1	0	566.057	3.624	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1	ZINC000140080830	571454913	/nfs/dbraw/zinc/45/49/13/571454913.db2.gz	JGZFVLXYCPYMFS-HSZRJFAPSA-N	-1	0	566.057	3.624	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000140085916	571455080	/nfs/dbraw/zinc/45/50/80/571455080.db2.gz	VTTXDMNHLQEFGK-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)n1	ZINC000140087043	571455023	/nfs/dbraw/zinc/45/50/23/571455023.db2.gz	YUEXYFNPOFJGGY-UHFFFAOYSA-N	-1	0	523.596	3.639	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)cc2)cc1	ZINC000140096324	571455017	/nfs/dbraw/zinc/45/50/17/571455017.db2.gz	DDGPUXYBKGNRPZ-UHFFFAOYSA-N	-1	0	552.634	3.968	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)Oc3ccccc32)cc1	ZINC000140096952	571455059	/nfs/dbraw/zinc/45/50/59/571455059.db2.gz	SIGAHOHIPNLCJN-AREMUKBSSA-N	-1	0	564.645	3.786	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)Oc3ccccc32)cc1	ZINC000140097104	571455076	/nfs/dbraw/zinc/45/50/76/571455076.db2.gz	SIGAHOHIPNLCJN-SANMLTNESA-N	-1	0	564.645	3.786	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc(Cl)cc(Cl)c1	ZINC000140106476	571455225	/nfs/dbraw/zinc/45/52/25/571455225.db2.gz	LGWQZJIQMFFIND-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc2)cc1	ZINC000140109214	571455157	/nfs/dbraw/zinc/45/51/57/571455157.db2.gz	SNZBEVVNQFVENP-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	ZINC000140118727	571455198	/nfs/dbraw/zinc/45/51/98/571455198.db2.gz	FPTLBVZTKDJNSA-UHFFFAOYSA-N	-1	0	535.047	3.963	40	0		KHABRM
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000140119652	571455228	/nfs/dbraw/zinc/45/52/28/571455228.db2.gz	BCPPAKMAESLPEG-UHFFFAOYSA-N	-1	0	522.608	3.716	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	ZINC000140128428	571455334	/nfs/dbraw/zinc/45/53/34/571455334.db2.gz	OTIHZIJNKZGQQE-UHFFFAOYSA-N	-1	0	550.062	3.748	40	0		KHABRM
O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000140135172	571455359	/nfs/dbraw/zinc/45/53/59/571455359.db2.gz	UJTOXVVMHPVZJS-UHFFFAOYSA-N	-1	0	538.582	3.836	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)n1	ZINC000140140357	571455509	/nfs/dbraw/zinc/45/55/09/571455509.db2.gz	QRENVDJLLYQJLF-UHFFFAOYSA-N	-1	0	543.671	3.567	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1C(=O)N1CCCCCC1	ZINC000140140841	571455447	/nfs/dbraw/zinc/45/54/47/571455447.db2.gz	DULBLTBYGSZEBK-UHFFFAOYSA-N	-1	0	544.655	3.708	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000140143435	571455549	/nfs/dbraw/zinc/45/55/49/571455549.db2.gz	SODJDUBJBVLAOC-UHFFFAOYSA-N	-1	0	581.676	3.819	40	0		KHABRM
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccccc1	ZINC000140341460	571455472	/nfs/dbraw/zinc/45/54/72/571455472.db2.gz	NUQFFWHPWLCSGD-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c(OC)c1	ZINC000140362227	571455626	/nfs/dbraw/zinc/45/56/26/571455626.db2.gz	PMKRSUISXNXWRN-UHFFFAOYSA-N	-1	0	540.019	3.782	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(Cl)cc1Cl	ZINC000140371484	571455776	/nfs/dbraw/zinc/45/57/76/571455776.db2.gz	KDBZFHDEAOKHQL-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000140372036	571455807	/nfs/dbraw/zinc/45/58/07/571455807.db2.gz	DVXYENVCCMIIRG-UHFFFAOYSA-N	-1	0	555.613	3.559	40	0		KHABRM
Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(C)(=O)=O)c1	ZINC000140373104	571455833	/nfs/dbraw/zinc/45/58/33/571455833.db2.gz	IVHVUSIBSMIWAW-UHFFFAOYSA-N	-1	0	545.687	3.696	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)c1	ZINC000140373699	571455768	/nfs/dbraw/zinc/45/57/68/571455768.db2.gz	WXZLKFGEQCNEDU-UHFFFAOYSA-N	-1	0	545.639	3.741	40	0		KHABRM
COc1ccc2nc3c(nc2c1)O[C@H]1C[C@@H](C(=O)[O-])N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCC3	ZINC000143768615	571456358	/nfs/dbraw/zinc/45/63/58/571456358.db2.gz	IVROMYPOGKZNLP-QNFXJGNHSA-N	-1	0	554.644	3.717	40	0		KHABRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000149462016	571456980	/nfs/dbraw/zinc/45/69/80/571456980.db2.gz	OFIBQNGDYNGUEZ-ARXPIFDKSA-N	-1	0	594.734	3.991	40	0		KHABRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000149462245	571457001	/nfs/dbraw/zinc/45/70/01/571457001.db2.gz	OFIBQNGDYNGUEZ-KJNQLLBQSA-N	-1	0	594.734	3.991	40	0		KHABRM
O=c1nc(C(F)(F)F)cc(C=Cc2cc(I)cc(I)c2O)[nH]1	ZINC000149961228	571456966	/nfs/dbraw/zinc/45/69/66/571456966.db2.gz	GRCUNVTZUCRWRU-OWOJBTEDSA-N	-1	0	534.013	3.874	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000150389288	571471711	/nfs/dbraw/zinc/47/17/11/571471711.db2.gz	RAZOAMCZKZXOAB-LPMBFVOQSA-N	-1	0	637.494	3.594	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000150389290	571471654	/nfs/dbraw/zinc/47/16/54/571471654.db2.gz	RAZOAMCZKZXOAB-KRYRSDKMSA-N	-1	0	637.494	3.594	40	0		KHABRM
O=C([O-])c1c(I)cc(I)c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1I	ZINC000150422929	571488618	/nfs/dbraw/zinc/48/86/18/571488618.db2.gz	MTJZYTJJOUBQCR-UHFFFAOYSA-N	-1	0	716.007	3.823	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000150470999	571509512	/nfs/dbraw/zinc/50/95/12/571509512.db2.gz	OQXHPXSUXPYFIS-ZMUHTPIZSA-N	-1	0	702.308	3.722	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000150471005	571509556	/nfs/dbraw/zinc/50/95/56/571509556.db2.gz	OQXHPXSUXPYFIS-OLROSQPISA-N	-1	0	702.308	3.722	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000150622330	571523336	/nfs/dbraw/zinc/52/33/36/571523336.db2.gz	ZODNFQXRQNNTTK-BAPRJRNISA-N	-1	0	678.311	3.775	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1cccs1	ZINC000150622334	571523358	/nfs/dbraw/zinc/52/33/58/571523358.db2.gz	ZODNFQXRQNNTTK-KAKTVLCNSA-N	-1	0	678.311	3.775	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Br)c4C4CC4)[C@@H]3SC2)s1	ZINC000150648520	571525181	/nfs/dbraw/zinc/52/51/81/571525181.db2.gz	KKPRHXAKGUKQMO-GZSXLKKWSA-N	-1	0	653.528	3.794	40	0		KHABRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4nc(C(F)(F)F)c(Br)c4C4CC4)[C@H]3SC2)s1	ZINC000150648522	571525294	/nfs/dbraw/zinc/52/52/94/571525294.db2.gz	KKPRHXAKGUKQMO-HNSSDMNUSA-N	-1	0	653.528	3.794	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000163638554	571538609	/nfs/dbraw/zinc/53/86/09/571538609.db2.gz	QPCMHBYWSDHCBX-BYHQVZLYSA-N	-1	0	732.334	3.730	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000163638666	571538697	/nfs/dbraw/zinc/53/86/97/571538697.db2.gz	QPCMHBYWSDHCBX-LYFUXTGPSA-N	-1	0	732.334	3.730	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000163656912	571539354	/nfs/dbraw/zinc/53/93/54/571539354.db2.gz	XDLHQXWLGDVOCJ-BYHQVZLYSA-N	-1	0	732.334	3.730	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000163657035	571539351	/nfs/dbraw/zinc/53/93/51/571539351.db2.gz	XDLHQXWLGDVOCJ-LYFUXTGPSA-N	-1	0	732.334	3.730	40	0		KHABRM
CC[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000164345752	571546283	/nfs/dbraw/zinc/54/62/83/571546283.db2.gz	KUQWGLQLLVFLSM-CXMMALMNSA-N	-1	0	757.951	3.895	40	0		KHABRM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000167232747	571552715	/nfs/dbraw/zinc/55/27/15/571552715.db2.gz	FDLBMESFTCUHOE-HXUWFJFHSA-N	-1	0	526.575	3.762	40	0		KHABRM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	ZINC000167232853	571552773	/nfs/dbraw/zinc/55/27/73/571552773.db2.gz	FDLBMESFTCUHOE-FQEVSTJZSA-N	-1	0	526.575	3.762	40	0		KHABRM
O=C([O-])CCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2c(sc(=O)n2-c2ccccc2)[C@@H]1c1ccccc1	ZINC000169296000	571553187	/nfs/dbraw/zinc/55/31/87/571553187.db2.gz	ZQDILCLXKJGWQQ-AMLRTMSTSA-N	-1	0	532.643	3.847	40	0		KHABRM
Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]42)cc1	ZINC000169708723	571559023	/nfs/dbraw/zinc/55/90/23/571559023.db2.gz	RZEQDWUQVYCUPE-FQBOFUFWSA-N	-1	0	512.653	3.717	40	0		KHABRM
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]42)cc1	ZINC000169708725	571559079	/nfs/dbraw/zinc/55/90/79/571559079.db2.gz	RZEQDWUQVYCUPE-UNZHJGKSSA-N	-1	0	512.653	3.717	40	0		KHABRM
Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]42)cc1	ZINC000169708727	571559018	/nfs/dbraw/zinc/55/90/18/571559018.db2.gz	RZEQDWUQVYCUPE-CILPQFMPSA-N	-1	0	512.653	3.717	40	0		KHABRM
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]42)cc1	ZINC000169708729	571559071	/nfs/dbraw/zinc/55/90/71/571559071.db2.gz	RZEQDWUQVYCUPE-VIVHBNLFSA-N	-1	0	512.653	3.717	40	0		KHABRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)cc2)c1C	ZINC000195542108	571563622	/nfs/dbraw/zinc/56/36/22/571563622.db2.gz	YFNJOXXVYOSKSE-AZPGRJICSA-N	-1	0	540.623	3.592	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	ZINC000197831787	571565854	/nfs/dbraw/zinc/56/58/54/571565854.db2.gz	YFACPYIDZLSMNJ-LJAQVGFWSA-N	-1	0	684.818	3.507	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	ZINC000197831796	571565928	/nfs/dbraw/zinc/56/59/28/571565928.db2.gz	YFACPYIDZLSMNJ-GDLZYMKVSA-N	-1	0	684.818	3.507	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c2ccc(F)cc2)cc1OC	ZINC000197950041	571566198	/nfs/dbraw/zinc/56/61/98/571566198.db2.gz	CPDAVIUWTNNTEX-UHFFFAOYSA-N	-1	0	629.692	3.885	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000197950728	571566260	/nfs/dbraw/zinc/56/62/60/571566260.db2.gz	TXEZQCCXVSEGLJ-UHFFFAOYSA-N	-1	0	642.712	3.751	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000197952531	571566266	/nfs/dbraw/zinc/56/62/66/571566266.db2.gz	LOZUWZHVAOWKFX-UHFFFAOYSA-N	-1	0	641.728	3.836	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000198285439	571566740	/nfs/dbraw/zinc/56/67/40/571566740.db2.gz	PEKUPZBCBCTBBQ-UHFFFAOYSA-N	-1	0	642.712	3.751	40	0		KHABRM
COc1cccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)c1OCC(=O)[O-]	ZINC000205758444	571570669	/nfs/dbraw/zinc/57/06/69/571570669.db2.gz	JKDWPELTUBERBV-CXUHLZMHSA-N	-1	0	525.320	4.000	40	0		KHABRM
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000205760937	571570774	/nfs/dbraw/zinc/57/07/74/571570774.db2.gz	NSSNDZLYCWMXAQ-LFYBBSHMSA-N	-1	0	537.182	3.663	40	0		KHABRM
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000205765493	571570904	/nfs/dbraw/zinc/57/09/04/571570904.db2.gz	YLZLWBMMTRBGGK-VZUCSPMQSA-N	-1	0	573.146	3.589	40	0		KHABRM
O=C(CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O)N1CCCCC1	ZINC000205805047	571571534	/nfs/dbraw/zinc/57/15/34/571571534.db2.gz	LVJRBGPPYRAAHS-MDWZMJQESA-N	-1	0	598.200	3.650	40	0		KHABRM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)cc(Br)c3[O-])C2=O)c1	ZINC000210838560	571575911	/nfs/dbraw/zinc/57/59/11/571575911.db2.gz	KJGQDRQUJLPFON-VIZOYTHASA-N	-1	0	509.154	3.757	40	0		KHABRM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C\c1ccc(OC)c(OC)c1OC)NC(=O)c1ccccc1	ZINC000211421086	571576132	/nfs/dbraw/zinc/57/61/32/571576132.db2.gz	XDFAJWGBUBCRCT-XSFVSMFZSA-N	-1	0	506.511	3.829	40	0		KHABRM
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2OC)c(OC)c(OC)c1	ZINC000211421297	571576192	/nfs/dbraw/zinc/57/61/92/571576192.db2.gz	QUXRBMSWQFXURL-KGENOOAVSA-N	-1	0	506.511	3.829	40	0		KHABRM
Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)CCC(=O)[O-])[C@@H](c4ccc(Br)cc4)C3)c(-c3ccccc3)c2c1	ZINC000211600129	571577013	/nfs/dbraw/zinc/57/70/13/571577013.db2.gz	ACUGSRUCGXYFTL-YWEHKCAJSA-N	-1	0	558.432	3.927	40	0	in-vitro	KHABRM
COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000215233503	571584056	/nfs/dbraw/zinc/58/40/56/571584056.db2.gz	DAHUPAPFEJRCEI-RQZCQDPDSA-N	-1	0	525.320	4.000	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc(Cl)ccc1Cl	ZINC000215898821	571586804	/nfs/dbraw/zinc/58/68/04/571586804.db2.gz	OJEZTLSQUIRWRC-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1OC	ZINC000215901359	571586879	/nfs/dbraw/zinc/58/68/79/571586879.db2.gz	MPTSMJFFGGDCQS-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccc(C)cc2)cc1	ZINC000215903321	571587010	/nfs/dbraw/zinc/58/70/10/571587010.db2.gz	QDGPFGAHLFZOOT-UHFFFAOYSA-N	-1	0	581.676	3.819	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000215904396	571587016	/nfs/dbraw/zinc/58/70/16/571587016.db2.gz	IJPDSLOQVVINLG-UHFFFAOYSA-N	-1	0	555.613	3.559	40	0		KHABRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1S(=O)(=O)Nc1ccccc1	ZINC000215904474	571587140	/nfs/dbraw/zinc/58/71/40/571587140.db2.gz	YCYDRZJVRNFRIK-UHFFFAOYSA-N	-1	0	523.596	3.639	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)n1	ZINC000215904674	571587167	/nfs/dbraw/zinc/58/71/67/571587167.db2.gz	QWZXLJILVYUJCL-UHFFFAOYSA-N	-1	0	551.650	3.804	40	0		KHABRM
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1C	ZINC000215906217	571587180	/nfs/dbraw/zinc/58/71/80/571587180.db2.gz	VQZGTDANIRMDKB-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cc(Cl)ccc2OC)cc1OC	ZINC000215910689	571587391	/nfs/dbraw/zinc/58/73/91/571587391.db2.gz	RUQMXCCWGTVMSB-UHFFFAOYSA-N	-1	0	648.119	3.791	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3C)cc2)n1	ZINC000215911987	571587356	/nfs/dbraw/zinc/58/73/56/571587356.db2.gz	DCINYKKCSHSYOY-UHFFFAOYSA-N	-1	0	557.698	3.876	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000215912330	571587313	/nfs/dbraw/zinc/58/73/13/571587313.db2.gz	ZMOBGWPPZXYZBY-NRFANRHFSA-N	-1	0	552.078	3.731	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000215912377	571587327	/nfs/dbraw/zinc/58/73/27/571587327.db2.gz	ZMOBGWPPZXYZBY-OAQYLSRUSA-N	-1	0	552.078	3.731	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)cc2)n1	ZINC000215912960	571587324	/nfs/dbraw/zinc/58/73/24/571587324.db2.gz	QZWLZEYCCWVBAT-UHFFFAOYSA-N	-1	0	564.089	3.975	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	ZINC000215914504	571587530	/nfs/dbraw/zinc/58/75/30/571587530.db2.gz	RRSCNCMVNUZSML-SANMLTNESA-N	-1	0	564.645	3.619	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	ZINC000215914547	571587566	/nfs/dbraw/zinc/58/75/66/571587566.db2.gz	RRSCNCMVNUZSML-AREMUKBSSA-N	-1	0	564.645	3.619	40	0		KHABRM
CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(=O)(=O)c1ccccc1	ZINC000215915012	571587624	/nfs/dbraw/zinc/58/76/24/571587624.db2.gz	IVPCHUWVISFRNJ-UHFFFAOYSA-N	-1	0	522.608	3.960	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)Oc3ccccc32)cc1	ZINC000215915182	571587504	/nfs/dbraw/zinc/58/75/04/571587504.db2.gz	JHPMHRSNXOODTF-SANMLTNESA-N	-1	0	593.687	3.798	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)Oc3ccccc32)cc1	ZINC000215915231	571587575	/nfs/dbraw/zinc/58/75/75/571587575.db2.gz	JHPMHRSNXOODTF-AREMUKBSSA-N	-1	0	593.687	3.798	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)n1	ZINC000215915502	571587555	/nfs/dbraw/zinc/58/75/55/571587555.db2.gz	SINFNTPSYAGTBZ-UHFFFAOYSA-N	-1	0	567.649	3.783	40	0		KHABRM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc2C)cc1	ZINC000215918292	571587510	/nfs/dbraw/zinc/58/75/10/571587510.db2.gz	JPOCIYFJXAGYLE-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc2)cc1OC	ZINC000215919032	571587814	/nfs/dbraw/zinc/58/78/14/571587814.db2.gz	CXSCUZPAAOCHQZ-UHFFFAOYSA-N	-1	0	611.702	3.989	40	0		KHABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccccc2)cc1	ZINC000215920630	571587767	/nfs/dbraw/zinc/58/77/67/571587767.db2.gz	FAQCIOZJFLTSHN-UHFFFAOYSA-N	-1	0	581.676	3.819	40	0		KHABRM
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000215924828	571588015	/nfs/dbraw/zinc/58/80/15/571588015.db2.gz	ZGCTYDZCHWCACX-UHFFFAOYSA-N	-1	0	540.598	3.856	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000215925493	571588019	/nfs/dbraw/zinc/58/80/19/571588019.db2.gz	YLANSFQNHONRKR-UHFFFAOYSA-N	-1	0	581.676	3.819	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(F)cc2)cc1OC	ZINC000215930449	571588185	/nfs/dbraw/zinc/58/81/85/571588185.db2.gz	BHSKZFRDZIDNDK-UHFFFAOYSA-N	-1	0	615.665	3.576	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4cccs4)cc3)cc2)n1	ZINC000215931548	571588361	/nfs/dbraw/zinc/58/83/61/571588361.db2.gz	CPUWLOUKYFFARC-UHFFFAOYSA-N	-1	0	543.652	3.725	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000215932792	571588365	/nfs/dbraw/zinc/58/83/65/571588365.db2.gz	IDXGMBMABMTHBI-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccc(F)cc2)cc1	ZINC000215933043	571588393	/nfs/dbraw/zinc/58/83/93/571588393.db2.gz	IUHHJPHZXPCEBE-UHFFFAOYSA-N	-1	0	585.639	3.649	40	0		KHABRM
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(=O)(=O)c1ccccc1	ZINC000215938058	571588516	/nfs/dbraw/zinc/58/85/16/571588516.db2.gz	QUQKKIAHOZFTGM-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc2)cc1	ZINC000215942410	571588823	/nfs/dbraw/zinc/58/88/23/571588823.db2.gz	BLDAXCVGKSVMCX-UHFFFAOYSA-N	-1	0	551.650	3.972	40	0		KHABRM
Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1C	ZINC000215943657	571588843	/nfs/dbraw/zinc/58/88/43/571588843.db2.gz	RXAMMSNYTWIRCL-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000215943930	571588849	/nfs/dbraw/zinc/58/88/49/571588849.db2.gz	PRRIDPIVLROIAZ-UHFFFAOYSA-N	-1	0	549.074	3.716	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccc(F)cc2)cc1	ZINC000215949379	571589018	/nfs/dbraw/zinc/58/90/18/571589018.db2.gz	GHVGNDALHDFKBZ-UHFFFAOYSA-N	-1	0	555.613	3.559	40	0		KHABRM
Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000215951405	571589203	/nfs/dbraw/zinc/58/92/03/571589203.db2.gz	VRJONRCBWYNJEF-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1	ZINC000215952716	571589193	/nfs/dbraw/zinc/58/91/93/571589193.db2.gz	MNHFNVWLZKKSDL-UHFFFAOYSA-N	-1	0	543.667	3.982	40	0		KHABRM
COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000215952976	571589181	/nfs/dbraw/zinc/58/91/81/571589181.db2.gz	BPIJQQFKYXCIFV-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1)S(C)(=O)=O	ZINC000215953378	571589220	/nfs/dbraw/zinc/58/92/20/571589220.db2.gz	DUOCBHKTGYMAOU-UHFFFAOYSA-N	-1	0	551.650	3.804	40	0		KHABRM
Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c(C)c1	ZINC000215954919	571589350	/nfs/dbraw/zinc/58/93/50/571589350.db2.gz	NEZNGZHZCOMRLJ-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(F)cc2)cc1OC	ZINC000215955788	571589383	/nfs/dbraw/zinc/58/93/83/571589383.db2.gz	ACBHRWZJYSFIAZ-UHFFFAOYSA-N	-1	0	600.650	3.873	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)cc2)n1	ZINC000215956977	571589371	/nfs/dbraw/zinc/58/93/71/571589371.db2.gz	DRBLOQPXNGDQNR-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)n1	ZINC000215959331	571589721	/nfs/dbraw/zinc/58/97/21/571589721.db2.gz	VNCBKRIEDUSIGR-UHFFFAOYSA-N	-1	0	581.676	3.570	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)n1	ZINC000215961859	571589689	/nfs/dbraw/zinc/58/96/89/571589689.db2.gz	AGUHXNCBSXDYBL-HSZRJFAPSA-N	-1	0	571.725	3.507	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)n1	ZINC000215961906	571589581	/nfs/dbraw/zinc/58/95/81/571589581.db2.gz	AGUHXNCBSXDYBL-QHCPKHFHSA-N	-1	0	571.725	3.507	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)n1	ZINC000215962075	571589600	/nfs/dbraw/zinc/58/96/00/571589600.db2.gz	QQCUQMODGDPGMP-UHFFFAOYSA-N	-1	0	598.682	3.790	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)n1	ZINC000215962387	571589538	/nfs/dbraw/zinc/58/95/38/571589538.db2.gz	QJOALUIKYDVCRH-UHFFFAOYSA-N	-1	0	608.540	3.529	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc(C(F)(F)F)ccc1Cl	ZINC000215969836	571590030	/nfs/dbraw/zinc/59/00/30/571590030.db2.gz	KFXPKVBQLRHZRT-UHFFFAOYSA-N	-1	0	562.979	3.959	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000215971539	571590088	/nfs/dbraw/zinc/59/00/88/571590088.db2.gz	KFWCBHIEEJPCTN-UHFFFAOYSA-N	-1	0	549.074	3.716	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(F)cc2)cc1	ZINC000215972386	571590063	/nfs/dbraw/zinc/59/00/63/571590063.db2.gz	MVNXDWXWOMNJJD-UHFFFAOYSA-N	-1	0	585.639	3.568	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccc(F)cc2)cc1	ZINC000215973183	571590169	/nfs/dbraw/zinc/59/01/69/571590169.db2.gz	SOCLDKODBQAKEI-UHFFFAOYSA-N	-1	0	570.624	3.864	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4Cl)CC3)cc2)n1	ZINC000215973282	571590184	/nfs/dbraw/zinc/59/01/84/571590184.db2.gz	AMBASVOPCDRREH-UHFFFAOYSA-N	-1	0	578.116	3.728	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(=O)(=O)c3ccccc3)cc2)n1	ZINC000215975516	571590187	/nfs/dbraw/zinc/59/01/87/571590187.db2.gz	LRPGRGYWTICYKQ-UHFFFAOYSA-N	-1	0	537.623	3.663	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)n1	ZINC000215975688	571590229	/nfs/dbraw/zinc/59/02/29/571590229.db2.gz	OIPQGJWHJREERD-UHFFFAOYSA-N	-1	0	569.640	3.943	40	0		KHABRM
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000215976735	571590242	/nfs/dbraw/zinc/59/02/42/571590242.db2.gz	UFZJVSJTSSNJCL-UHFFFAOYSA-N	-1	0	565.677	3.982	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)c1	ZINC000215979818	571590393	/nfs/dbraw/zinc/59/03/93/571590393.db2.gz	DIHAMJRUJUGXRW-UHFFFAOYSA-N	-1	0	540.019	3.782	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(C)cc2)cc1OC	ZINC000215980379	571590434	/nfs/dbraw/zinc/59/04/34/571590434.db2.gz	IWQOSIOKQDKMAH-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000215981179	571590443	/nfs/dbraw/zinc/59/04/43/571590443.db2.gz	JMOGVIZNBVHZHZ-UHFFFAOYSA-N	-1	0	585.639	3.649	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000215981858	571590561	/nfs/dbraw/zinc/59/05/61/571590561.db2.gz	SXABYCRSEHZXHM-UHFFFAOYSA-N	-1	0	535.047	3.575	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000215982254	571590551	/nfs/dbraw/zinc/59/05/51/571590551.db2.gz	DQKNLMUYEQCLFD-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000215983559	571590725	/nfs/dbraw/zinc/59/07/25/571590725.db2.gz	YRAAIUKDDUPZKZ-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000215985000	571590574	/nfs/dbraw/zinc/59/05/74/571590574.db2.gz	BCPWEXUGDDLIHV-UHFFFAOYSA-N	-1	0	562.979	3.959	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000215985339	571590723	/nfs/dbraw/zinc/59/07/23/571590723.db2.gz	NIEPSUMMNAARFG-UHFFFAOYSA-N	-1	0	591.715	3.641	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(C)c3)cc2)n1	ZINC000215985433	571590554	/nfs/dbraw/zinc/59/05/54/571590554.db2.gz	PRQRPWLSBDEUQK-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccccc2)cc1	ZINC000215986279	571590917	/nfs/dbraw/zinc/59/09/17/571590917.db2.gz	JXUKYSWBABCOMZ-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000215986735	571590768	/nfs/dbraw/zinc/59/07/68/571590768.db2.gz	LPUJURZHNBRCEN-UHFFFAOYSA-N	-1	0	555.613	3.635	40	0		KHABRM
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000215988876	571590857	/nfs/dbraw/zinc/59/08/57/571590857.db2.gz	RERLWWLHAIFHCK-UHFFFAOYSA-N	-1	0	581.676	3.737	40	0		KHABRM
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000215989226	571590786	/nfs/dbraw/zinc/59/07/86/571590786.db2.gz	URMLGROUUHJUHX-UHFFFAOYSA-N	-1	0	581.676	3.819	40	0		KHABRM
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000215989430	571590911	/nfs/dbraw/zinc/59/09/11/571590911.db2.gz	STTUNWABLWZIMR-UHFFFAOYSA-N	-1	0	598.634	3.627	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000215991396	571591043	/nfs/dbraw/zinc/59/10/43/571591043.db2.gz	JOTRNUVZOIGSEZ-UHFFFAOYSA-N	-1	0	549.074	3.716	40	0		KHABRM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1NS(=O)(=O)c1ccccc1	ZINC000215992232	571591081	/nfs/dbraw/zinc/59/10/81/571591081.db2.gz	GPYREPPAIZGRTA-UHFFFAOYSA-N	-1	0	523.596	3.639	40	0		KHABRM
O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000215992876	571591056	/nfs/dbraw/zinc/59/10/56/571591056.db2.gz	ARLZKUNRXCQCHU-UHFFFAOYSA-N	-1	0	540.598	3.856	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl	ZINC000215994934	571591046	/nfs/dbraw/zinc/59/10/46/571591046.db2.gz	FOJFTEJEXCGJHM-UHFFFAOYSA-N	-1	0	544.014	3.984	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)n1	ZINC000215996221	571591205	/nfs/dbraw/zinc/59/12/05/571591205.db2.gz	ARZGVVFNJAPXRO-UHFFFAOYSA-N	-1	0	545.687	3.696	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccccc2)cc1	ZINC000215996724	571591236	/nfs/dbraw/zinc/59/12/36/571591236.db2.gz	DUBICKCGADDUOV-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc2C)c1	ZINC000215997050	571591362	/nfs/dbraw/zinc/59/13/62/571591362.db2.gz	PFJDXTVIJFAXHR-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	ZINC000215997988	571591202	/nfs/dbraw/zinc/59/12/02/571591202.db2.gz	VCEIDSGFIJGQSC-QGZVFWFLSA-N	-1	0	584.507	3.765	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	ZINC000215998030	571591378	/nfs/dbraw/zinc/59/13/78/571591378.db2.gz	VCEIDSGFIJGQSC-KRWDZBQOSA-N	-1	0	584.507	3.765	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(Cc3ccccc3)S(C)(=O)=O)cc2)n1	ZINC000216000420	571591208	/nfs/dbraw/zinc/59/12/08/571591208.db2.gz	JONADUYLVAVILU-UHFFFAOYSA-N	-1	0	551.650	3.804	40	0		KHABRM
COc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(C)(=O)=O)cc1Cl	ZINC000216003556	571591479	/nfs/dbraw/zinc/59/14/79/571591479.db2.gz	GZVQHOIXNOJGJE-UHFFFAOYSA-N	-1	0	553.062	3.729	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)cc2)n1	ZINC000216005007	571591539	/nfs/dbraw/zinc/59/15/39/571591539.db2.gz	JYSAPNFNKDTGEW-UHFFFAOYSA-N	-1	0	550.062	3.584	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)n1	ZINC000216006267	571591715	/nfs/dbraw/zinc/59/17/15/571591715.db2.gz	RZDYOICBQUNXIT-UHFFFAOYSA-N	-1	0	627.676	3.639	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccccc2)cc1OC	ZINC000216006718	571591723	/nfs/dbraw/zinc/59/17/23/571591723.db2.gz	OCRUTQXEHQGALL-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000216008101	571591667	/nfs/dbraw/zinc/59/16/67/571591667.db2.gz	PAMKCGMMERDZBA-UHFFFAOYSA-N	-1	0	522.608	3.963	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Br)cc4)CC3)cc2)n1	ZINC000216009006	571591734	/nfs/dbraw/zinc/59/17/34/571591734.db2.gz	CNTBKTCMCRIHSE-UHFFFAOYSA-N	-1	0	622.567	3.837	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C(F)(F)F)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000216009655	571591620	/nfs/dbraw/zinc/59/16/20/571591620.db2.gz	LBAZALHHXYMEIQ-UHFFFAOYSA-N	-1	0	577.994	3.663	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)cc2)n1	ZINC000216009715	571591717	/nfs/dbraw/zinc/59/17/17/571591717.db2.gz	WSDGXRVBZCHIPP-UHFFFAOYSA-N	-1	0	543.671	3.630	40	0		KHABRM
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000216014829	571591912	/nfs/dbraw/zinc/59/19/12/571591912.db2.gz	LQTWSYWRZBZQGQ-UHFFFAOYSA-N	-1	0	558.041	3.765	40	0		KHABRM
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000216018287	571592089	/nfs/dbraw/zinc/59/20/89/571592089.db2.gz	RQCHMBKZKZNFFI-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc2)n1	ZINC000216125290	571592761	/nfs/dbraw/zinc/59/27/61/571592761.db2.gz	MVCMUDBISOOYGJ-UHFFFAOYSA-N	-1	0	537.623	3.663	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	ZINC000216125974	571592866	/nfs/dbraw/zinc/59/28/66/571592866.db2.gz	AAQDSSQCLOUKIH-UHFFFAOYSA-N	-1	0	599.554	3.887	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(F)cc2)cc1	ZINC000216128972	571593113	/nfs/dbraw/zinc/59/31/13/571593113.db2.gz	UFZJYUVLDBUSQD-UHFFFAOYSA-N	-1	0	569.640	3.867	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	ZINC000216129319	571593073	/nfs/dbraw/zinc/59/30/73/571593073.db2.gz	AUXXKJXQSQOQSE-UHFFFAOYSA-N	-1	0	593.525	3.825	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccccc2OC)cc1	ZINC000216129523	571592994	/nfs/dbraw/zinc/59/29/94/571592994.db2.gz	HSVLBWWYJREWJK-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)cc1Cl	ZINC000216129881	571593050	/nfs/dbraw/zinc/59/30/50/571593050.db2.gz	KUXBANAMBWCKMO-UHFFFAOYSA-N	-1	0	529.427	3.594	40	0		KHABRM
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c2)cc1	ZINC000216130127	571593007	/nfs/dbraw/zinc/59/30/07/571593007.db2.gz	MRVSVAZUBRASLI-UHFFFAOYSA-N	-1	0	523.596	3.639	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)n1	ZINC000216132400	571593221	/nfs/dbraw/zinc/59/32/21/571593221.db2.gz	NIYDNLIOXBDUBQ-UHFFFAOYSA-N	-1	0	569.640	3.867	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000216210653	571593424	/nfs/dbraw/zinc/59/34/24/571593424.db2.gz	BMUSDGJAZDTERL-UHFFFAOYSA-N	-1	0	671.754	3.763	40	0		KHABRM
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000216226612	571593599	/nfs/dbraw/zinc/59/35/99/571593599.db2.gz	KOVASHGRUZEZAG-UHFFFAOYSA-N	-1	0	649.492	3.716	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000216241278	571593830	/nfs/dbraw/zinc/59/38/30/571593830.db2.gz	UVLNNHPBPMAXNZ-CQSZACIVSA-N	-1	0	558.469	3.686	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(Cl)ccc3Cl)S(C)(=O)=O)cc2)n1	ZINC000216241324	571593865	/nfs/dbraw/zinc/59/38/65/571593865.db2.gz	UVLNNHPBPMAXNZ-AWEZNQCLSA-N	-1	0	558.469	3.686	40	0		KHABRM
CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1)S(=O)(=O)c1ccccc1	ZINC000216248561	571593772	/nfs/dbraw/zinc/59/37/72/571593772.db2.gz	PFCQWPRCXYEVCF-UHFFFAOYSA-N	-1	0	522.608	3.960	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	ZINC000216267101	571594038	/nfs/dbraw/zinc/59/40/38/571594038.db2.gz	CNISSAUWXYOJDU-UHFFFAOYSA-N	-1	0	593.525	3.825	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OCc4ccccc4)cc3)S(C)(=O)=O)cc2)n1	ZINC000216278429	571594095	/nfs/dbraw/zinc/59/40/95/571594095.db2.gz	HPWUGVMKQFMWFL-UHFFFAOYSA-N	-1	0	595.703	3.878	40	0		KHABRM
Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc2)S(C)(=O)=O)cc1	ZINC000216281737	571594285	/nfs/dbraw/zinc/59/42/85/571594285.db2.gz	PKTGRAJNXUXDRY-UHFFFAOYSA-N	-1	0	551.650	3.804	40	0		KHABRM
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000216287656	571594299	/nfs/dbraw/zinc/59/42/99/571594299.db2.gz	XEOWITGZRCGDBM-IBGZPJMESA-N	-1	0	567.649	3.863	40	0		KHABRM
C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	ZINC000216287700	571594136	/nfs/dbraw/zinc/59/41/36/571594136.db2.gz	XEOWITGZRCGDBM-LJQANCHMSA-N	-1	0	567.649	3.863	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000216293057	571594267	/nfs/dbraw/zinc/59/42/67/571594267.db2.gz	ODJMERVWUDRDQL-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(Cl)c(Cl)cc1Cl	ZINC000216296334	571594218	/nfs/dbraw/zinc/59/42/18/571594218.db2.gz	JIKYLYUFBYUMPR-UHFFFAOYSA-N	-1	0	564.860	3.642	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000216304612	571594450	/nfs/dbraw/zinc/59/44/50/571594450.db2.gz	QDYYBJAPEVWULI-UHFFFAOYSA-N	-1	0	521.020	3.573	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000216305859	571594358	/nfs/dbraw/zinc/59/43/58/571594358.db2.gz	DKUIEZWFZPORAC-UHFFFAOYSA-N	-1	0	584.507	3.765	40	0		KHABRM
CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1)S(=O)(=O)c1ccccc1	ZINC000216313960	571594544	/nfs/dbraw/zinc/59/45/44/571594544.db2.gz	KSMQZALHFLQMEW-UHFFFAOYSA-N	-1	0	522.608	3.960	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4)CC3)cc2)n1	ZINC000216314200	571594605	/nfs/dbraw/zinc/59/46/05/571594605.db2.gz	KETCXSFRPHLWIR-UHFFFAOYSA-N	-1	0	578.116	3.728	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)n1	ZINC000216324414	571594861	/nfs/dbraw/zinc/59/48/61/571594861.db2.gz	SUAKGCLCUHFGOK-UHFFFAOYSA-N	-1	0	555.613	3.559	40	0		KHABRM
CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1	ZINC000216329270	571594750	/nfs/dbraw/zinc/59/47/50/571594750.db2.gz	QZWFFDNSRJFVQW-UHFFFAOYSA-N	-1	0	516.645	3.585	40	0		KHABRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1S(=O)(=O)N1CCCCC1	ZINC000216341780	571594949	/nfs/dbraw/zinc/59/49/49/571594949.db2.gz	ULURFHPGPQGANJ-UHFFFAOYSA-N	-1	0	514.629	3.618	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)cc2)cc1OC	ZINC000216345783	571594945	/nfs/dbraw/zinc/59/49/45/571594945.db2.gz	LYNWKRNRCYKXOD-UHFFFAOYSA-N	-1	0	582.660	3.977	40	0		KHABRM
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c2ccc(F)cc2)cc1	ZINC000216357250	571595151	/nfs/dbraw/zinc/59/51/51/571595151.db2.gz	RNHCWVIAJIGPND-UHFFFAOYSA-N	-1	0	599.666	3.958	40	0		KHABRM
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(Cl)ccc1Cl	ZINC000216360218	571595135	/nfs/dbraw/zinc/59/51/35/571595135.db2.gz	XSUOGKPBSZLAIZ-UHFFFAOYSA-N	-1	0	558.469	3.769	40	0		KHABRM
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000216368690	571595408	/nfs/dbraw/zinc/59/54/08/571595408.db2.gz	OVVASGWDHLEKNV-UHFFFAOYSA-N	-1	0	552.634	3.725	40	0		KHABRM
O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000216371091	571595437	/nfs/dbraw/zinc/59/54/37/571595437.db2.gz	KBUZBSYGVNTZIP-UHFFFAOYSA-N	-1	0	576.031	3.904	40	0		KHABRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Br)c4)CC3)cc2)n1	ZINC000216392014	571595708	/nfs/dbraw/zinc/59/57/08/571595708.db2.gz	QELQCVWJPMBTPW-UHFFFAOYSA-N	-1	0	608.540	3.529	40	0		KHABRM
CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000216395461	571595671	/nfs/dbraw/zinc/59/56/71/571595671.db2.gz	GPMBPNNQZOYNIZ-QHCPKHFHSA-N	-1	0	545.687	3.694	40	0		KHABRM
CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O	ZINC000216395505	571595690	/nfs/dbraw/zinc/59/56/90/571595690.db2.gz	GPMBPNNQZOYNIZ-HSZRJFAPSA-N	-1	0	545.687	3.694	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c1	ZINC000216399808	571595684	/nfs/dbraw/zinc/59/56/84/571595684.db2.gz	DKHOLYDEFFXQFK-UHFFFAOYSA-N	-1	0	559.666	3.683	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)c1	ZINC000216402641	571595697	/nfs/dbraw/zinc/59/56/97/571595697.db2.gz	JMKZJJCIZKFFKH-UHFFFAOYSA-N	-1	0	509.584	3.879	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)c1	ZINC000216417551	571595861	/nfs/dbraw/zinc/59/58/61/571595861.db2.gz	TUMGOKJQSWWKCV-UHFFFAOYSA-N	-1	0	611.702	3.745	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)c2ccccc2OC)cc1	ZINC000216425575	571596166	/nfs/dbraw/zinc/59/61/66/571596166.db2.gz	NJFJMEXHBUJKMV-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1NS(=O)(=O)c1ccccc1	ZINC000216430143	571596161	/nfs/dbraw/zinc/59/61/61/571596161.db2.gz	FGWQUYNAMKMZKH-UHFFFAOYSA-N	-1	0	523.596	3.639	40	0		KHABRM
Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000216433548	571596147	/nfs/dbraw/zinc/59/61/47/571596147.db2.gz	XCSKHUOBUNEYRA-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3)cc2)cc1OC	ZINC000216435468	571596175	/nfs/dbraw/zinc/59/61/75/571596175.db2.gz	MIFBRXBEDWTHFB-UHFFFAOYSA-N	-1	0	582.660	3.977	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000216442029	571596337	/nfs/dbraw/zinc/59/63/37/571596337.db2.gz	VKPCGPQBYANLBZ-UHFFFAOYSA-N	-1	0	515.613	3.533	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1	ZINC000216450114	571596376	/nfs/dbraw/zinc/59/63/76/571596376.db2.gz	WUACNMCKYQZDGW-DEOSSOPVSA-N	-1	0	535.607	3.897	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1	ZINC000216450159	571596460	/nfs/dbraw/zinc/59/64/60/571596460.db2.gz	WUACNMCKYQZDGW-XMMPIXPASA-N	-1	0	535.607	3.897	40	0		KHABRM
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cccc(C)c2)cc1	ZINC000216454065	571596482	/nfs/dbraw/zinc/59/64/82/571596482.db2.gz	BRMAXUQHTZNKHA-UHFFFAOYSA-N	-1	0	551.650	3.728	40	0		KHABRM
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c2C)cc1	ZINC000216459405	571596563	/nfs/dbraw/zinc/59/65/63/571596563.db2.gz	KOFHHFMEKJQKSS-UHFFFAOYSA-N	-1	0	537.623	3.947	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000216471178	571596538	/nfs/dbraw/zinc/59/65/38/571596538.db2.gz	GECNRTGNQUWRDT-UHFFFAOYSA-N	-1	0	550.062	3.748	40	0		KHABRM
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccccc1F	ZINC000216474578	571596620	/nfs/dbraw/zinc/59/66/20/571596620.db2.gz	WAWQDHXHUKNNQL-UHFFFAOYSA-N	-1	0	585.477	3.641	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1	ZINC000216476261	571596821	/nfs/dbraw/zinc/59/68/21/571596821.db2.gz	DNUGHMZPPINWAN-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(C(F)(F)F)c3)S(C)(=O)=O)cc2)n1	ZINC000216477452	571596783	/nfs/dbraw/zinc/59/67/83/571596783.db2.gz	RJZWHTACZGFBCL-UHFFFAOYSA-N	-1	0	592.021	3.971	40	0		KHABRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)n1	ZINC000216487067	571596778	/nfs/dbraw/zinc/59/67/78/571596778.db2.gz	CMEGOHGKHSPBFO-UHFFFAOYSA-N	-1	0	558.469	3.606	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)c(OC)c1	ZINC000216490508	571597044	/nfs/dbraw/zinc/59/70/44/571597044.db2.gz	MQHZBXZWIBDBTL-UHFFFAOYSA-N	-1	0	540.019	3.782	40	0		KHABRM
COc1c(N2CCN(C(=S)N[C@@H]3C[C@H]4C=C[C@@H]3C4)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000217438036	571601583	/nfs/dbraw/zinc/60/15/83/571601583.db2.gz	HNTLCLKKNJADHY-DXEZIKHYSA-N	-1	0	526.634	3.532	40	0		KHABRM
COc1c(N2CCN(C(=S)N[C@@H]3C[C@H]4C=C[C@@H]3C4)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000217438116	571601610	/nfs/dbraw/zinc/60/16/10/571601610.db2.gz	HNTLCLKKNJADHY-GXYOHSSGSA-N	-1	0	526.634	3.532	40	0		KHABRM
COc1c(N2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000217441147	571601544	/nfs/dbraw/zinc/60/15/44/571601544.db2.gz	MYZZWCWRCHQXRN-DXEZIKHYSA-N	-1	0	528.650	3.756	40	0		KHABRM
COc1c(N2CCN(C(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000217441219	571601643	/nfs/dbraw/zinc/60/16/43/571601643.db2.gz	MYZZWCWRCHQXRN-GXYOHSSGSA-N	-1	0	528.650	3.756	40	0		KHABRM
COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2NCCc2ccc(OC)c(OC)c2)cc1	ZINC000217486959	571601564	/nfs/dbraw/zinc/60/15/64/571601564.db2.gz	OFJUZFRJOQIIEW-UHFFFAOYSA-N	-1	0	514.600	3.586	40	0		KHABRM
COc1ccc(CCNc2ccc(C(=O)[O-])cc2S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1	ZINC000217490581	571601559	/nfs/dbraw/zinc/60/15/59/571601559.db2.gz	PJNNZBYYGYGOFH-UHFFFAOYSA-N	-1	0	514.600	3.586	40	0		KHABRM
COc1ccc(CCNc2ccc(C(=O)[O-])cc2S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1OC	ZINC000217490709	1066513858	/nfs/dbraw/zinc/51/38/58/1066513858.db2.gz	QOKUORQCFBXLPM-UHFFFAOYSA-N	-1	0	544.626	3.595	40	0		KHABRM
COc1ccc(CCNS(=O)(=O)c2ccc(NCCc3ccc(OC)c(OC)c3)c(C(=O)[O-])c2)cc1	ZINC000217619994	571601762	/nfs/dbraw/zinc/60/17/62/571601762.db2.gz	GKOFRVYUJRTBSG-UHFFFAOYSA-N	-1	0	514.600	3.586	40	0		KHABRM
COc1ccc(CCNc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2C(=O)[O-])cc1	ZINC000217623725	571602013	/nfs/dbraw/zinc/60/20/13/571602013.db2.gz	ZXAZPCOFWSRLOP-UHFFFAOYSA-N	-1	0	514.600	3.586	40	0		KHABRM
COc1ccc(CCNc2ccc(S(=O)(=O)NCCc3ccc(OC)c(OC)c3)cc2C(=O)[O-])cc1OC	ZINC000217623838	571602094	/nfs/dbraw/zinc/60/20/94/571602094.db2.gz	YAKCMLAEABEINX-UHFFFAOYSA-N	-1	0	544.626	3.595	40	0		KHABRM
O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN([C@@H](c4nnnn4C(c4ccccc4)c4ccccc4)c4ccc(Cl)cc4)C(=O)[C@@H]13)O2	ZINC000217655485	571602370	/nfs/dbraw/zinc/60/23/70/571602370.db2.gz	CXXROTRHFWUWOR-GVLAHGTPSA-N	-1	0	554.006	3.920	40	0		KHABRM
Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O	ZINC000217662251	571602316	/nfs/dbraw/zinc/60/23/16/571602316.db2.gz	NXKWLMKNJFUVHM-UYIYHOFSSA-N	-1	0	526.380	3.542	40	0		KHABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)s1	ZINC000222550202	571370216	/nfs/dbraw/zinc/37/02/16/571370216.db2.gz	VTBYEBLSOSEWRA-UHFFFAOYSA-N	-1	0	512.617	3.925	40	0		KHABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCC(C)CC4)c3)s2)cc1	ZINC000222565163	571371653	/nfs/dbraw/zinc/37/16/53/571371653.db2.gz	SCRKFHRCBOKMKS-UHFFFAOYSA-N	-1	0	502.618	3.895	40	0		KHABRM
COC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1C	ZINC000222569734	571372222	/nfs/dbraw/zinc/37/22/22/571372222.db2.gz	MCPRYJSUILTFAK-UHFFFAOYSA-N	-1	0	501.373	3.993	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc1C(=O)N1CCOCC1	ZINC000222609860	571376322	/nfs/dbraw/zinc/37/63/22/571376322.db2.gz	NHHRBJBOADBMBQ-UHFFFAOYSA-N	-1	0	511.050	3.854	40	0		KHABRM
COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)s1	ZINC000222612549	571376652	/nfs/dbraw/zinc/37/66/52/571376652.db2.gz	ITOCNRAZKNFXCG-UHFFFAOYSA-N	-1	0	513.022	3.818	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Br)c3)no2)s1)c1ccccc1Cl	ZINC000222662415	571381290	/nfs/dbraw/zinc/38/12/90/571381290.db2.gz	MYLUQHSOWGTWEW-UHFFFAOYSA-N	-1	0	555.823	3.735	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)s1)c1ccc(Cl)cc1	ZINC000222689932	571384811	/nfs/dbraw/zinc/38/48/11/571384811.db2.gz	RLWUCXRVSOFPIN-UHFFFAOYSA-N	-1	0	517.976	3.768	40	0		KHABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(OC)c(I)c3)s2)cc1	ZINC000222896530	571410971	/nfs/dbraw/zinc/41/09/71/571410971.db2.gz	ISJCZJCPGQLCEJ-UHFFFAOYSA-N	-1	0	503.343	3.628	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3Cl)no2)s1)c1ccc(Cl)cc1	ZINC000222915989	571412726	/nfs/dbraw/zinc/41/27/26/571412726.db2.gz	UEFNKLGJDUHAKU-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1	ZINC000222976546	571418968	/nfs/dbraw/zinc/41/89/68/571418968.db2.gz	VWNHDUVGEMZKGG-UHFFFAOYSA-N	-1	0	509.005	3.909	40	0		KHABRM
CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1	ZINC000223016183	193944440	/nfs/dbraw/zinc/94/44/40/193944440.db2.gz	XSGSQIGTHHCIAQ-UHFFFAOYSA-N	-1	0	550.058	3.651	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1	ZINC000223061334	571427008	/nfs/dbraw/zinc/42/70/08/571427008.db2.gz	SMGVGYJOBUKNFQ-UHFFFAOYSA-N	-1	0	527.690	3.597	40	0		KHABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)s1	ZINC000223064820	571427338	/nfs/dbraw/zinc/42/73/38/571427338.db2.gz	YSQRZRFYBNCMOY-UHFFFAOYSA-N	-1	0	521.624	3.872	40	0		KHABRM
O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000223146397	571436306	/nfs/dbraw/zinc/43/63/06/571436306.db2.gz	CUHRRAQFTDRVBB-ZDUSSCGKSA-N	-1	0	556.453	3.807	40	0		KHABRM
O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000223146464	571436215	/nfs/dbraw/zinc/43/62/15/571436215.db2.gz	CUHRRAQFTDRVBB-CYBMUJFWSA-N	-1	0	556.453	3.807	40	0		KHABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c1	ZINC000223161352	571438775	/nfs/dbraw/zinc/43/87/75/571438775.db2.gz	IRQIQSDDKQUZRJ-DHIUTWEWSA-N	-1	0	513.019	3.998	40	0		KHABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c1	ZINC000223161415	571438810	/nfs/dbraw/zinc/43/88/10/571438810.db2.gz	IRQIQSDDKQUZRJ-PKTZIBPZSA-N	-1	0	513.019	3.998	40	0		KHABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c1	ZINC000223161464	571438736	/nfs/dbraw/zinc/43/87/36/571438736.db2.gz	IRQIQSDDKQUZRJ-XZOQPEGZSA-N	-1	0	513.019	3.998	40	0		KHABRM
O=C([O-])c1ccc(Cl)c(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)o2)c1	ZINC000223161520	571438794	/nfs/dbraw/zinc/43/87/94/571438794.db2.gz	IRQIQSDDKQUZRJ-GOTSBHOMSA-N	-1	0	513.019	3.998	40	0		KHABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)s1	ZINC000223184242	571442099	/nfs/dbraw/zinc/44/20/99/571442099.db2.gz	SYCWGMYZHOWXFO-UHFFFAOYSA-N	-1	0	507.597	3.830	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)no2)s1)c1ccc(Cl)cc1Cl	ZINC000223188524	571442746	/nfs/dbraw/zinc/44/27/46/571442746.db2.gz	GVZHQLKUPSXBFA-UHFFFAOYSA-N	-1	0	517.401	3.687	40	0		KHABRM
COC(=O)c1c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)sc2c1CCCC2	ZINC000223189100	571442809	/nfs/dbraw/zinc/44/28/09/571442809.db2.gz	RDOJLLOETXXZKK-UHFFFAOYSA-N	-1	0	513.022	3.972	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)s1)c1ccc(Cl)cc1	ZINC000223204692	571444714	/nfs/dbraw/zinc/44/47/14/571444714.db2.gz	DMFKNQFFYOTDEX-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3Cl)no2)s1)c1ccccc1Cl	ZINC000223235062	571448647	/nfs/dbraw/zinc/44/86/47/571448647.db2.gz	FRCRTOHMRNVSRA-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1C(=O)N1CCOCC1	ZINC000223250757	571450759	/nfs/dbraw/zinc/45/07/59/571450759.db2.gz	KQUQPQNIMNIJMN-UHFFFAOYSA-N	-1	0	522.699	3.826	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)s1)c1ccccc1Cl	ZINC000223299771	571457356	/nfs/dbraw/zinc/45/73/56/571457356.db2.gz	NPRULNLRKJCOST-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C(=O)NCCc3ccccc3)s2)cc1	ZINC000223310077	571458933	/nfs/dbraw/zinc/45/89/33/571458933.db2.gz	YPYCFFOHMRUABQ-UHFFFAOYSA-N	-1	0	521.624	3.872	40	0		KHABRM
CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)NCCc3ccc(OC)c(OC)c3)ccc21	ZINC000223332577	571461651	/nfs/dbraw/zinc/46/16/51/571461651.db2.gz	XVMYXIHTPZDGRT-UHFFFAOYSA-N	-1	0	537.638	3.776	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2CN2CCCC2=O)s1)c1ccc(Cl)cc1Cl	ZINC000223334353	571461922	/nfs/dbraw/zinc/46/19/22/571461922.db2.gz	HRXMJWCDJCZJPA-UHFFFAOYSA-N	-1	0	540.454	3.698	40	0		KHABRM
Cc1c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c(=O)n(-c2ccccc2)n1C	ZINC000223338619	571462666	/nfs/dbraw/zinc/46/26/66/571462666.db2.gz	HIIBNDARTOERIQ-UHFFFAOYSA-N	-1	0	539.426	3.696	40	0		KHABRM
COc1ccc(-c2noc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)n2)cc1	ZINC000223440644	571477019	/nfs/dbraw/zinc/47/70/19/571477019.db2.gz	JQXWYCYZQHQQLU-UHFFFAOYSA-N	-1	0	541.398	3.634	40	0		KHABRM
Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)n1	ZINC000223458271	571479620	/nfs/dbraw/zinc/47/96/20/571479620.db2.gz	ZTZVPOCQPZVGHX-UHFFFAOYSA-N	-1	0	525.399	3.934	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)s1)c1ccc(Cl)cc1	ZINC000223511602	571490344	/nfs/dbraw/zinc/49/03/44/571490344.db2.gz	PARJKKHAPISPBY-UHFFFAOYSA-N	-1	0	506.009	3.871	40	0		KHABRM
COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)s1	ZINC000223570073	571504554	/nfs/dbraw/zinc/50/45/54/571504554.db2.gz	KRDHGHQBHVQVGB-UHFFFAOYSA-N	-1	0	513.022	3.818	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Br)c3)no2)s1)c1ccc(Cl)cc1	ZINC000223596755	571510288	/nfs/dbraw/zinc/51/02/88/571510288.db2.gz	KFLBNRALMRALBD-UHFFFAOYSA-N	-1	0	555.823	3.735	40	0		KHABRM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	ZINC000223604340	571511989	/nfs/dbraw/zinc/51/19/89/571511989.db2.gz	XOCRIPVLXYIOKY-UHFFFAOYSA-N	-1	0	500.389	3.600	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)s1)c1ccc(Cl)cc1	ZINC000223630308	571517032	/nfs/dbraw/zinc/51/70/32/571517032.db2.gz	ZBUDGQVEEYZZBP-UHFFFAOYSA-N	-1	0	506.009	3.871	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000223647920	571520281	/nfs/dbraw/zinc/52/02/81/571520281.db2.gz	ZHTGRSCWNYGQEK-UHFFFAOYSA-N	-1	0	547.398	3.702	40	0		KHABRM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)n2)c1	ZINC000223664645	571522967	/nfs/dbraw/zinc/52/29/67/571522967.db2.gz	YKKIEYXBQXPWNA-UHFFFAOYSA-N	-1	0	541.398	3.634	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)no2)s1)c1ccc(Cl)cc1Cl	ZINC000223775266	571542134	/nfs/dbraw/zinc/54/21/34/571542134.db2.gz	FDLZFFHIPDWPNG-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)s1)c1ccc(Cl)cc1Cl	ZINC000223840974	571559920	/nfs/dbraw/zinc/55/99/20/571559920.db2.gz	LWYGUBOORBKVPT-UHFFFAOYSA-N	-1	0	562.482	3.683	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1OC	ZINC000223843492	571560211	/nfs/dbraw/zinc/56/02/11/571560211.db2.gz	XPPUPEUSRBPVRG-UHFFFAOYSA-N	-1	0	567.649	3.581	40	0		KHABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)s2)cc1	ZINC000223899394	571570829	/nfs/dbraw/zinc/57/08/29/571570829.db2.gz	PDNLDFFVLADNRW-UHFFFAOYSA-N	-1	0	508.994	3.772	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1OC	ZINC000223901287	571571223	/nfs/dbraw/zinc/57/12/23/571571223.db2.gz	ATUSUUJAQQCVPS-UHFFFAOYSA-N	-1	0	581.676	3.889	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)s1)c1ccccc1Cl	ZINC000223918415	571575283	/nfs/dbraw/zinc/57/52/83/571575283.db2.gz	TXEPROFVTZCXSC-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1)c1ccc(Cl)cc1	ZINC000223985783	571589311	/nfs/dbraw/zinc/58/93/11/571589311.db2.gz	HCCPDNONIGYBEF-UHFFFAOYSA-N	-1	0	556.091	3.809	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(I)cc2)s1)c1ccc(Cl)cc1	ZINC000224030386	571598286	/nfs/dbraw/zinc/59/82/86/571598286.db2.gz	UPYRYMCIYVCGDI-UHFFFAOYSA-N	-1	0	520.761	3.849	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1OC	ZINC000224060390	571604390	/nfs/dbraw/zinc/60/43/90/571604390.db2.gz	JDGMVOUSKDITGC-UHFFFAOYSA-N	-1	0	581.676	3.889	40	0		KHABRM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)n2)cc1	ZINC000224086595	571608095	/nfs/dbraw/zinc/60/80/95/571608095.db2.gz	MAOFHEFRVRQIRL-UHFFFAOYSA-N	-1	0	525.399	3.934	40	0		KHABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)ccc1C	ZINC000224117657	571479529	/nfs/dbraw/zinc/47/95/29/571479529.db2.gz	XAERJICPCMQYJJ-UHFFFAOYSA-N	-1	0	512.584	3.572	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(I)cc2)s1)c1ccccc1Cl	ZINC000224171108	571490407	/nfs/dbraw/zinc/49/04/07/571490407.db2.gz	IWDXQTDKCAOIOG-UHFFFAOYSA-N	-1	0	520.761	3.849	40	0		KHABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)s2)cc1	ZINC000224194084	571494084	/nfs/dbraw/zinc/49/40/84/571494084.db2.gz	BCSPVAZPRTYQOC-UHFFFAOYSA-N	-1	0	512.617	3.925	40	0		KHABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Cl	ZINC000224219737	571499637	/nfs/dbraw/zinc/49/96/37/571499637.db2.gz	LSHGQTBNVFHAOP-UHFFFAOYSA-N	-1	0	552.074	3.508	40	0		KHABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c1	ZINC000224219815	571499776	/nfs/dbraw/zinc/49/97/76/571499776.db2.gz	GEIYBDFSJNNXEQ-UHFFFAOYSA-N	-1	0	552.074	3.508	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)cc1	ZINC000224219907	571499783	/nfs/dbraw/zinc/49/97/83/571499783.db2.gz	NNHLTVZXNZIEQR-UHFFFAOYSA-N	-1	0	552.074	3.508	40	0		KHABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c1C	ZINC000224219990	571499696	/nfs/dbraw/zinc/49/96/96/571499696.db2.gz	XRIRJRICGMGBEQ-UHFFFAOYSA-N	-1	0	566.101	3.817	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c(C)c1	ZINC000224220078	571499670	/nfs/dbraw/zinc/49/96/70/571499670.db2.gz	ITPSHVBDZQFKGJ-UHFFFAOYSA-N	-1	0	566.101	3.817	40	0		KHABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)c1	ZINC000224220148	571499762	/nfs/dbraw/zinc/49/97/62/571499762.db2.gz	ZRQZAUUYOVKZMW-UHFFFAOYSA-N	-1	0	566.101	3.817	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N(C)C)cc3)ccc2Cl)cc1C	ZINC000224220231	571499878	/nfs/dbraw/zinc/49/98/78/571499878.db2.gz	WFYKHJSHBQCTAZ-UHFFFAOYSA-N	-1	0	566.101	3.817	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1)c1ccccc1Cl	ZINC000224249966	571506167	/nfs/dbraw/zinc/50/61/67/571506167.db2.gz	INNLFBGVEQJUCR-UHFFFAOYSA-N	-1	0	556.091	3.809	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc(CN3CCCC3=O)cc2)s1)c1ccc(Cl)cc1Cl	ZINC000224250421	571506304	/nfs/dbraw/zinc/50/63/04/571506304.db2.gz	CSSNGPDHXWLSPH-UHFFFAOYSA-N	-1	0	540.454	3.698	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1OC	ZINC000224260307	571508559	/nfs/dbraw/zinc/50/85/59/571508559.db2.gz	PZYVJEJCPDXYNT-UHFFFAOYSA-N	-1	0	581.676	3.889	40	0		KHABRM
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000224300006	571516985	/nfs/dbraw/zinc/51/69/85/571516985.db2.gz	BZYLZXVDNWCUJJ-UHFFFAOYSA-N	-1	0	564.085	3.734	40	0		KHABRM
O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000224390208	571536144	/nfs/dbraw/zinc/53/61/44/571536144.db2.gz	DYPJMEMACVQEKN-UHFFFAOYSA-N	-1	0	549.696	3.532	40	0		KHABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1C	ZINC000224453734	571549618	/nfs/dbraw/zinc/54/96/18/571549618.db2.gz	BAWXHBHSYLFKJL-UHFFFAOYSA-N	-1	0	608.138	3.587	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c(C)c1	ZINC000224453814	571549610	/nfs/dbraw/zinc/54/96/10/571549610.db2.gz	ZLGYRYHWQKAXPC-UHFFFAOYSA-N	-1	0	608.138	3.587	40	0		KHABRM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1	ZINC000224453901	571549555	/nfs/dbraw/zinc/54/95/55/571549555.db2.gz	RYIVTRKCUUCIBV-UHFFFAOYSA-N	-1	0	608.138	3.587	40	0		KHABRM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)cc1C	ZINC000224453979	571549557	/nfs/dbraw/zinc/54/95/57/571549557.db2.gz	GEQDEGVXAZVWFP-UHFFFAOYSA-N	-1	0	608.138	3.587	40	0		KHABRM
O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000224557697	571574013	/nfs/dbraw/zinc/57/40/13/571574013.db2.gz	VESPBWAPBGEUHI-UHFFFAOYSA-N	-1	0	500.020	3.903	40	0		KHABRM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)ccc1Cl	ZINC000224653910	571596284	/nfs/dbraw/zinc/59/62/84/571596284.db2.gz	PPKMDUNMXVBVSD-UHFFFAOYSA-N	-1	0	533.002	3.917	40	0		KHABRM
COc1ccccc1OC[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000224707688	571607287	/nfs/dbraw/zinc/60/72/87/571607287.db2.gz	NMVNGTXUEHZSDR-LLVKDONJSA-N	-1	0	517.416	3.852	40	0		KHABRM
COc1ccccc1OC[C@H](C)[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000224707731	571607283	/nfs/dbraw/zinc/60/72/83/571607283.db2.gz	NMVNGTXUEHZSDR-NSHDSACASA-N	-1	0	517.416	3.852	40	0		KHABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(I)cc2)s1	ZINC000224718948	571609906	/nfs/dbraw/zinc/60/99/06/571609906.db2.gz	JHWASDBTJVNPIK-UHFFFAOYSA-N	-1	0	500.343	3.504	40	0		KHABRM
O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000224723462	571610886	/nfs/dbraw/zinc/61/08/86/571610886.db2.gz	NLVNTHFFMKKNOL-UHFFFAOYSA-N	-1	0	500.020	3.903	40	0		KHABRM
COc1ccc(S(=O)(=O)NC(C)C)cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000224783189	571616691	/nfs/dbraw/zinc/61/66/91/571616691.db2.gz	OAENYWMKHCOZLW-UHFFFAOYSA-N	-1	0	580.497	3.593	40	0		KHABRM
CN(CCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1	ZINC000224892979	571627419	/nfs/dbraw/zinc/62/74/19/571627419.db2.gz	LTOZJUPSTWKQLK-UHFFFAOYSA-N	-1	0	500.433	3.902	40	0		KHABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C(=O)NCCc3ccccc3)s2)c1	ZINC000224894902	571627608	/nfs/dbraw/zinc/62/76/08/571627608.db2.gz	WMAHSSMTIMAPIO-UHFFFAOYSA-N	-1	0	521.624	3.872	40	0		KHABRM
COc1ccc(CC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1OC	ZINC000224908996	571628949	/nfs/dbraw/zinc/62/89/49/571628949.db2.gz	DNAPLZITCUXWBC-UHFFFAOYSA-N	-1	0	517.416	3.635	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1N1C(=O)CCC1=O	ZINC000224913753	571629304	/nfs/dbraw/zinc/62/93/04/571629304.db2.gz	YUERUGQLNSRJGO-KRWDZBQOSA-N	-1	0	507.568	3.640	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1N1C(=O)CCC1=O	ZINC000224913795	571629276	/nfs/dbraw/zinc/62/92/76/571629276.db2.gz	YUERUGQLNSRJGO-QGZVFWFLSA-N	-1	0	507.568	3.640	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC	ZINC000224942341	571632330	/nfs/dbraw/zinc/63/23/30/571632330.db2.gz	IBHCTEVCPUCNAC-UHFFFAOYSA-N	-1	0	549.649	3.776	40	0		KHABRM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)n2)c1	ZINC000224954958	571633468	/nfs/dbraw/zinc/63/34/68/571633468.db2.gz	FTNJXEKAFIECDU-UHFFFAOYSA-N	-1	0	525.399	3.934	40	0		KHABRM
COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)s1	ZINC000224991448	571637093	/nfs/dbraw/zinc/63/70/93/571637093.db2.gz	MFNZEUOUXFUPDT-UHFFFAOYSA-N	-1	0	513.022	3.818	40	0		KHABRM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1	ZINC000225049975	571642208	/nfs/dbraw/zinc/64/22/08/571642208.db2.gz	RUVBDRGDLJWZHQ-UHFFFAOYSA-N	-1	0	501.373	3.993	40	0		KHABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(I)cc3)s2)c1	ZINC000225119309	571649341	/nfs/dbraw/zinc/64/93/41/571649341.db2.gz	MQVAYRKBASRKAU-UHFFFAOYSA-N	-1	0	500.343	3.504	40	0		KHABRM
COc1ccc(-c2nnc([N-]S(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)s2)cc1	ZINC000225146401	571652023	/nfs/dbraw/zinc/65/20/23/571652023.db2.gz	CLFIVSKOZQMVHL-UHFFFAOYSA-N	-1	0	508.994	3.772	40	0		KHABRM
COC(=O)c1c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)sc2c1CCCC2	ZINC000225201119	571657336	/nfs/dbraw/zinc/65/73/36/571657336.db2.gz	RTIAIILHMSBCIW-UHFFFAOYSA-N	-1	0	513.022	3.972	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1	ZINC000225230646	571660512	/nfs/dbraw/zinc/66/05/12/571660512.db2.gz	ZJZSHDHZQGTZDV-SFHVURJKSA-N	-1	0	509.675	3.704	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=S)N[C@H](CC(=O)[O-])c1ccc(SC)cc1	ZINC000225230682	571660515	/nfs/dbraw/zinc/66/05/15/571660515.db2.gz	ZJZSHDHZQGTZDV-GOSISDBHSA-N	-1	0	509.675	3.704	40	0		KHABRM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	ZINC000225241011	571661546	/nfs/dbraw/zinc/66/15/46/571661546.db2.gz	KDILZCPOJLEVPH-UHFFFAOYSA-N	-1	0	564.498	3.929	40	0		KHABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C(=O)NCc3ccccc3)s2)cc1	ZINC000225246075	571662094	/nfs/dbraw/zinc/66/20/94/571662094.db2.gz	BINRVTZCBLJFNY-UHFFFAOYSA-N	-1	0	507.597	3.830	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)s1)c1ccccc1Cl	ZINC000225248158	571662295	/nfs/dbraw/zinc/66/22/95/571662295.db2.gz	CQRCOZKBJJCLOU-UHFFFAOYSA-N	-1	0	506.009	3.871	40	0		KHABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccccc3C(=O)NCc3ccccc3)s2)c1	ZINC000225263144	571664026	/nfs/dbraw/zinc/66/40/26/571664026.db2.gz	BVETVNYIDRHMQR-UHFFFAOYSA-N	-1	0	507.597	3.830	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)s1)c1ccc(Cl)cc1	ZINC000225420980	571788389	/nfs/dbraw/zinc/78/83/89/571788389.db2.gz	XNGLTRGULCQOEW-UHFFFAOYSA-N	-1	0	529.003	3.570	40	0		KHABRM
O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000225436356	571803886	/nfs/dbraw/zinc/80/38/86/571803886.db2.gz	KCMYMVWAJJWHBL-UHFFFAOYSA-N	-1	0	517.976	3.768	40	0		KHABRM
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)ccc1NS(C)(=O)=O	ZINC000225436577	571804750	/nfs/dbraw/zinc/80/47/50/571804750.db2.gz	OOFJHIIDMFSNQJ-JWQCQUIFSA-N	-1	0	534.667	3.884	40	0		KHABRM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000225448979	571820893	/nfs/dbraw/zinc/82/08/93/571820893.db2.gz	ACRVOTIFRJRFAQ-UHFFFAOYSA-N	-1	0	544.442	3.664	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1	ZINC000225452675	571824028	/nfs/dbraw/zinc/82/40/28/571824028.db2.gz	VBZQDEXRVVUKHX-UHFFFAOYSA-N	-1	0	592.508	3.691	40	0		KHABRM
CC(C)CCCC[C@H](CC(=O)N[C@H](CO)C(=O)[O-])OC(=O)C[C@H](CCC(C)C)OC(=O)C[C@H](O)CCC(C)C	ZINC000225457424	291804454	/nfs/dbraw/zinc/80/44/54/291804454.db2.gz	MWZPHNZNPKKSEI-ZKGSSEMHSA-N	-1	0	559.741	3.992	40	0	biogenic,in-vitro	KHABRM
O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000225477669	571848097	/nfs/dbraw/zinc/84/80/97/571848097.db2.gz	BJGUCNOXZAGGOX-UHFFFAOYSA-N	-1	0	529.003	3.570	40	0		KHABRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1	ZINC000225530553	571897221	/nfs/dbraw/zinc/89/72/21/571897221.db2.gz	GFPLFIRSSRTPAZ-UHFFFAOYSA-N	-1	0	517.372	3.693	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)s1)c1ccc(Cl)cc1Cl	ZINC000225542109	571906852	/nfs/dbraw/zinc/90/68/52/571906852.db2.gz	AHEQIGJVZKWEPY-UHFFFAOYSA-N	-1	0	509.400	3.761	40	0		KHABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)s2)c1	ZINC000225583323	571942427	/nfs/dbraw/zinc/94/24/27/571942427.db2.gz	IGEHOJMPVLOHSU-UHFFFAOYSA-N	-1	0	512.617	3.925	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)s1)c1ccccc1Cl	ZINC000225619495	571969858	/nfs/dbraw/zinc/96/98/58/571969858.db2.gz	VSWVIYMAWMXYQB-UHFFFAOYSA-N	-1	0	506.009	3.871	40	0		KHABRM
COc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	ZINC000225657841	572004303	/nfs/dbraw/zinc/00/43/03/572004303.db2.gz	WDOWYBKOHVTYPE-LLVKDONJSA-N	-1	0	517.416	3.852	40	0		KHABRM
COc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1	ZINC000225657868	572004494	/nfs/dbraw/zinc/00/44/94/572004494.db2.gz	WDOWYBKOHVTYPE-NSHDSACASA-N	-1	0	517.416	3.852	40	0		KHABRM
CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)NCCc3ccc(OC)c(OC)c3)cc2sc1=O	ZINC000225694703	572028208	/nfs/dbraw/zinc/02/82/08/572028208.db2.gz	VPFUAUVWDRVVSH-UHFFFAOYSA-N	-1	0	541.651	3.873	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C	ZINC000225715192	572043916	/nfs/dbraw/zinc/04/39/16/572043916.db2.gz	NRSYYNFEAAZHDO-UHFFFAOYSA-N	-1	0	525.674	3.628	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225746970	572059602	/nfs/dbraw/zinc/05/96/02/572059602.db2.gz	NXWNGLBPKAQPKI-UHFFFAOYSA-N	-1	0	559.691	3.705	40	0		KHABRM
COc1ccc(S(=O)(=O)NC(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225747009	572059671	/nfs/dbraw/zinc/05/96/71/572059671.db2.gz	ONLGDVROUVHFRP-UHFFFAOYSA-N	-1	0	547.680	3.607	40	0		KHABRM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225747542	572059624	/nfs/dbraw/zinc/05/96/24/572059624.db2.gz	UXGIXJKMWZQURF-UHFFFAOYSA-N	-1	0	511.625	3.678	40	0		KHABRM
O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225747656	572060064	/nfs/dbraw/zinc/06/00/64/572060064.db2.gz	HSQQYJHRLNSFJX-IBGZPJMESA-N	-1	0	523.636	3.821	40	0		KHABRM
O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225747680	572060109	/nfs/dbraw/zinc/06/01/09/572060109.db2.gz	HSQQYJHRLNSFJX-LJQANCHMSA-N	-1	0	523.636	3.821	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225747834	572059999	/nfs/dbraw/zinc/05/99/99/572059999.db2.gz	IXIJMOBSPGLWHV-UHFFFAOYSA-N	-1	0	514.581	3.716	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)s1)c1ccc(Cl)cc1Cl	ZINC000225757191	572064159	/nfs/dbraw/zinc/06/41/59/572064159.db2.gz	VCLKKAIFJDHDJG-UHFFFAOYSA-N	-1	0	526.427	3.703	40	0		KHABRM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000225757635	572064071	/nfs/dbraw/zinc/06/40/71/572064071.db2.gz	JFSXTKFRGVZDOC-UHFFFAOYSA-N	-1	0	507.597	3.564	40	0		KHABRM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225788067	572068152	/nfs/dbraw/zinc/06/81/52/572068152.db2.gz	RUSFSQXKRWHCIA-UHFFFAOYSA-N	-1	0	532.043	3.942	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	ZINC000225791393	572068951	/nfs/dbraw/zinc/06/89/51/572068951.db2.gz	YRMHDVSJSULMAA-UHFFFAOYSA-N	-1	0	610.135	3.595	40	0		KHABRM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225801668	572071710	/nfs/dbraw/zinc/07/17/10/572071710.db2.gz	GRQQMQZBSYPPHG-UHFFFAOYSA-N	-1	0	532.043	3.942	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	ZINC000225804827	572072160	/nfs/dbraw/zinc/07/21/60/572072160.db2.gz	BLGRRQGLYODJOW-UHFFFAOYSA-N	-1	0	610.135	3.595	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)s1)c1ccc(Cl)cc1	ZINC000225817428	572073617	/nfs/dbraw/zinc/07/36/17/572073617.db2.gz	YNPMTLGWZLEZHT-UHFFFAOYSA-N	-1	0	511.372	3.626	40	0		KHABRM
O=C(Nc1nnc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)s1)c1ccc(Cl)cc1Cl	ZINC000225829434	572074779	/nfs/dbraw/zinc/07/47/79/572074779.db2.gz	HPAJRHFGZZLUFI-UHFFFAOYSA-N	-1	0	512.444	3.828	40	0		KHABRM
COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1	ZINC000225833476	572074650	/nfs/dbraw/zinc/07/46/50/572074650.db2.gz	WKZNKPAULDNORT-UHFFFAOYSA-N	-1	0	541.717	3.987	40	0		KHABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]c3ccc(I)cc3)s2)cc1	ZINC000225861603	572078666	/nfs/dbraw/zinc/07/86/66/572078666.db2.gz	KBNQGAYILBAGJW-UHFFFAOYSA-N	-1	0	500.343	3.504	40	0		KHABRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000225871256	572079558	/nfs/dbraw/zinc/07/95/58/572079558.db2.gz	DKMQKRCOHLUPMM-UHFFFAOYSA-N	-1	0	503.440	3.823	40	0		KHABRM
COC(=O)C=C1NN(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)C1C(=O)N(c2ccccc2)N[C@@H]1CC(=O)OC	ZINC000226448797	572137672	/nfs/dbraw/zinc/13/76/72/572137672.db2.gz	MUUZZUBBESQRKW-STJVVJFLSA-N	-1	0	598.612	3.777	40	0		KHABRM
COC(=O)C=C1NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)C1C(=O)N(c2ccccc2)N[C@@H]1CC(=O)OC	ZINC000226448808	572138355	/nfs/dbraw/zinc/13/83/55/572138355.db2.gz	MUUZZUBBESQRKW-FNHKZSGOSA-N	-1	0	598.612	3.777	40	0		KHABRM
Cc1cccc(C)c1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O	ZINC000226726829	572140815	/nfs/dbraw/zinc/14/08/15/572140815.db2.gz	ONHOSMOWWQDRKT-NIYJGHKDSA-N	-1	0	506.566	3.975	40	0		KHABRM
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(S([O-])=CC(=O)N3CCC(C)CC3)o2)cc1	ZINC000226851226	572144118	/nfs/dbraw/zinc/14/41/18/572144118.db2.gz	FMOHRSUVSYPPRN-XIFFEERXSA-N	-1	0	502.614	3.549	40	0		KHABRM
COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(S([O-])=CC(=O)N3CCC(C)CC3)o2)cc1	ZINC000226851232	572144052	/nfs/dbraw/zinc/14/40/52/572144052.db2.gz	FMOHRSUVSYPPRN-MGBGTMOVSA-N	-1	0	502.614	3.549	40	0		KHABRM
CC(C)CCCC[C@H](CC(=O)N[C@H](CO)C(=O)[O-])OC(=O)C[C@@H](CCC(C)C)OC(=O)C[C@@H](O)CCC(C)C	ZINC000230139971	291804451	/nfs/dbraw/zinc/80/44/51/291804451.db2.gz	MWZPHNZNPKKSEI-ZYQDXHPFSA-N	-1	0	559.741	3.992	40	0	biogenic,in-vitro	KHABRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000230290466	572185846	/nfs/dbraw/zinc/18/58/46/572185846.db2.gz	PNYHBAKBBQCIDX-QXIHPRNESA-N	-1	0	842.025	3.563	40	0		KHABRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000230290473	572185876	/nfs/dbraw/zinc/18/58/76/572185876.db2.gz	PNYHBAKBBQCIDX-USDDEDAYSA-N	-1	0	842.025	3.563	40	0		KHABRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000230494266	572187134	/nfs/dbraw/zinc/18/71/34/572187134.db2.gz	PNYHBAKBBQCIDX-FWIWLVIWSA-N	-1	0	842.025	3.563	40	0		KHABRM
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000230494308	572187117	/nfs/dbraw/zinc/18/71/17/572187117.db2.gz	PNYHBAKBBQCIDX-WSTRYJQKSA-N	-1	0	842.025	3.563	40	0		KHABRM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cc([N+](=O)[O-])ccc3OCc3ccc(F)cc3)[C@@H]2C1=O	ZINC000245241529	572215591	/nfs/dbraw/zinc/21/55/91/572215591.db2.gz	IAPBVDXSXREIHB-AQUXAIOASA-N	-1	0	611.629	3.621	40	0		KHABRM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cc([N+](=O)[O-])ccc3OCc3ccc(F)cc3)[C@@H]2C1=O	ZINC000245241530	572215579	/nfs/dbraw/zinc/21/55/79/572215579.db2.gz	IAPBVDXSXREIHB-HYFWSOSBSA-N	-1	0	611.629	3.621	40	0		KHABRM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3cc([N+](=O)[O-])ccc3OCc3ccc(F)cc3)[C@@H]2C1=O	ZINC000245241531	572215545	/nfs/dbraw/zinc/21/55/45/572215545.db2.gz	IAPBVDXSXREIHB-IBIUQVCPSA-N	-1	0	611.629	3.621	40	0		KHABRM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3cc([N+](=O)[O-])ccc3OCc3ccc(F)cc3)[C@@H]2C1=O	ZINC000245241532	572215573	/nfs/dbraw/zinc/21/55/73/572215573.db2.gz	IAPBVDXSXREIHB-ULZASAIZSA-N	-1	0	611.629	3.621	40	0		KHABRM
CC(C)CCCC[C@H](CC(=O)N[C@H](CO)C(=O)[O-])OC(=O)C[C@H](CCC(C)C)OC(=O)C[C@@H](O)CCC(C)C	ZINC000252515706	291507718	/nfs/dbraw/zinc/50/77/18/291507718.db2.gz	MWZPHNZNPKKSEI-FQUZAXHOSA-N	-1	0	559.741	3.992	40	0	biogenic,in-vitro	KHABRM
CC(C)CCCC[C@H](CC(=O)N[C@H](CO)C(=O)[O-])OC(=O)C[C@@H](CCC(C)C)OC(=O)C[C@H](O)CCC(C)C	ZINC000252515707	291507729	/nfs/dbraw/zinc/50/77/29/291507729.db2.gz	MWZPHNZNPKKSEI-ZGFBMJKBSA-N	-1	0	559.741	3.992	40	0	biogenic,in-vitro	KHABRM
C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C)C(=O)[O-]	ZINC000253500641	565212206	/nfs/dbraw/zinc/21/22/06/565212206.db2.gz	FRNXPIFXBYSDDB-BCGZPLIPSA-N	-1	0	622.840	3.885	40	0	biogenic,in-vitro	KHABRM
C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C)C(=O)[O-]	ZINC000253500642	565212197	/nfs/dbraw/zinc/21/21/97/565212197.db2.gz	FRNXPIFXBYSDDB-BEUUVLBXSA-N	-1	0	622.840	3.885	40	0	biogenic,in-vitro	KHABRM
C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C)C(=O)[O-]	ZINC000253500643	565212204	/nfs/dbraw/zinc/21/22/04/565212204.db2.gz	FRNXPIFXBYSDDB-MNLIBFRKSA-N	-1	0	622.840	3.885	40	0	biogenic,in-vitro	KHABRM
C/C(=C\CC[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C)C(=O)[O-]	ZINC000253500644	565212186	/nfs/dbraw/zinc/21/21/86/565212186.db2.gz	FRNXPIFXBYSDDB-ZFYOPQIKSA-N	-1	0	622.840	3.885	40	0	biogenic,in-vitro	KHABRM
CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](CC(=O)[O-])C[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@@H]1O	ZINC000254489755	572302833	/nfs/dbraw/zinc/30/28/33/572302833.db2.gz	KDOFJEYFCOARTO-CZHLCQPHSA-N	-1	0	576.727	3.840	40	0		KHABRM
CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](CC(=O)[O-])C[C@]5(O)[C@H]4CC[C@H]3C2)O[C@H](C)[C@H]1O	ZINC000254489757	572302832	/nfs/dbraw/zinc/30/28/32/572302832.db2.gz	KDOFJEYFCOARTO-FAMHVYFSSA-N	-1	0	576.727	3.840	40	0		KHABRM
CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](CC(=O)[O-])C[C@]5(O)[C@H]4CC[C@H]3C2)O[C@@H](C)[C@H]1O	ZINC000254489759	572302827	/nfs/dbraw/zinc/30/28/27/572302827.db2.gz	KDOFJEYFCOARTO-IHCQCPKBSA-N	-1	0	576.727	3.840	40	0		KHABRM
CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](CC(=O)[O-])C[C@]5(O)[C@H]4CC[C@H]3C2)O[C@H](C)[C@@H]1O	ZINC000254489762	572302863	/nfs/dbraw/zinc/30/28/63/572302863.db2.gz	KDOFJEYFCOARTO-ZITXYCJKSA-N	-1	0	576.727	3.840	40	0		KHABRM
CCc1cc2c(cc1OCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])occ(-c1nc(C)cs1)c2=O	ZINC000256027931	572305227	/nfs/dbraw/zinc/30/52/27/572305227.db2.gz	KEKPFUNDVDBPAJ-FQEVSTJZSA-N	-1	0	508.552	3.684	40	0		KHABRM
CCc1cc2c(cc1OCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-])occ(-c1nc(C)cs1)c2=O	ZINC000256027932	572305209	/nfs/dbraw/zinc/30/52/09/572305209.db2.gz	KEKPFUNDVDBPAJ-HXUWFJFHSA-N	-1	0	508.552	3.684	40	0		KHABRM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(OCc2ccc(Br)cc2)c1	ZINC000257201062	572306384	/nfs/dbraw/zinc/30/63/84/572306384.db2.gz	AGARMJZUKMTDRZ-UHFFFAOYSA-N	-1	0	538.441	3.859	40	0		KHABRM
O=C([O-])c1cnc(N2CCN(CCOc3ccc(F)cc3)CC2)nc1COc1ccc(F)c(Cl)c1	ZINC000257206885	572306911	/nfs/dbraw/zinc/30/69/11/572306911.db2.gz	BFIABELFZMRXCO-UHFFFAOYSA-N	-1	0	504.921	3.886	40	0		KHABRM
Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)[O-])Cc1cc(F)cc(F)c1	ZINC000257213229	572307615	/nfs/dbraw/zinc/30/76/15/572307615.db2.gz	CGRIRQUTGFHHMT-UHFFFAOYSA-N	-1	0	504.534	3.905	40	0		KHABRM
C[C@]1(NC(=O)CCO)C[C@H](c2cccc(Br)c2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257214923	572307787	/nfs/dbraw/zinc/30/77/87/572307787.db2.gz	CNYZILUIFSBVBM-YCRNBWNJSA-N	-1	0	510.356	3.902	40	0		KHABRM
C[C@@]1(NC(=O)CCO)C[C@H](c2cccc(Br)c2OCC(=O)[O-])O[C@H](c2ccc(F)cc2)C1	ZINC000257214924	572307772	/nfs/dbraw/zinc/30/77/72/572307772.db2.gz	CNYZILUIFSBVBM-YYDVJCTNSA-N	-1	0	510.356	3.902	40	0		KHABRM
COc1ccc(Cc2nc(N(C)CCc3ccccc3)ncc2C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1	ZINC000257215659	572307745	/nfs/dbraw/zinc/30/77/45/572307745.db2.gz	CRCQNQSGCDHIAT-UHFFFAOYSA-N	-1	0	546.649	3.882	40	0		KHABRM
O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1OCC(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000257223582	572308668	/nfs/dbraw/zinc/30/86/68/572308668.db2.gz	DXZUPTXMHSPGEB-DHIUTWEWSA-N	-1	0	536.503	3.818	40	0		KHABRM
Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)[O-])Cc1cccc(F)c1F	ZINC000257227738	572308939	/nfs/dbraw/zinc/30/89/39/572308939.db2.gz	FQRDWKQBKAFNBK-UHFFFAOYSA-N	-1	0	504.534	3.905	40	0		KHABRM
O=C([O-])c1cccc(Br)c1OCC(=O)N(CCCN1CCOCC1)Cc1ccc(Cl)cc1	ZINC000257242563	572310400	/nfs/dbraw/zinc/31/04/00/572310400.db2.gz	IDDASVFPOWWLJW-UHFFFAOYSA-N	-1	0	525.827	3.931	40	0		KHABRM
COc1ccccc1CN(CC(=O)[O-])C(=O)[C@@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1	ZINC000257244393	572310486	/nfs/dbraw/zinc/31/04/86/572310486.db2.gz	ILCDYBBMIWSAGJ-KAYWLYCHSA-N	-1	0	522.985	3.931	40	0		KHABRM
O=C([O-])CN(CCc1ccccc1)C(=O)[C@@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1	ZINC000257245825	572310588	/nfs/dbraw/zinc/31/05/88/572310588.db2.gz	IRGCEEAMVZYNKH-KAYWLYCHSA-N	-1	0	506.986	3.965	40	0		KHABRM
O=C([O-])CN(CCc1ccccc1)C(=O)[C@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1	ZINC000257245826	572310621	/nfs/dbraw/zinc/31/06/21/572310621.db2.gz	IRGCEEAMVZYNKH-SXOMAYOGSA-N	-1	0	506.986	3.965	40	0		KHABRM
COc1cccc(CN(CC(=O)[O-])C(=O)[C@@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)c1	ZINC000257246454	572310742	/nfs/dbraw/zinc/31/07/42/572310742.db2.gz	IUFBKCILMDYDDO-KAYWLYCHSA-N	-1	0	522.985	3.931	40	0		KHABRM
COc1cccc(CN(CC(=O)[O-])C(=O)[C@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)c1	ZINC000257246455	572310695	/nfs/dbraw/zinc/31/06/95/572310695.db2.gz	IUFBKCILMDYDDO-SXOMAYOGSA-N	-1	0	522.985	3.931	40	0		KHABRM
COc1ccc(CN(CC(=O)[O-])C(=O)[C@@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1	ZINC000257247859	572310683	/nfs/dbraw/zinc/31/06/83/572310683.db2.gz	JAXAAFXGOZJUAT-KAYWLYCHSA-N	-1	0	522.985	3.931	40	0		KHABRM
COc1ccc(CN(CC(=O)[O-])C(=O)[C@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1	ZINC000257247860	572310796	/nfs/dbraw/zinc/31/07/96/572310796.db2.gz	JAXAAFXGOZJUAT-SXOMAYOGSA-N	-1	0	522.985	3.931	40	0		KHABRM
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)[O-])Cc1cccc(C(F)(F)F)c1	ZINC000257249044	572310852	/nfs/dbraw/zinc/31/08/52/572310852.db2.gz	JGKYZGVETHMVOE-UHFFFAOYSA-N	-1	0	537.539	3.588	40	0		KHABRM
CC1(C)CCC2(CCN(c3ncc(C(=O)[O-])c(CCc4ccc(F)cc4)n3)CC2)CN1S(C)(=O)=O	ZINC000257257939	572311825	/nfs/dbraw/zinc/31/18/25/572311825.db2.gz	KRSGBHRZAGWAIJ-UHFFFAOYSA-N	-1	0	504.628	3.520	40	0		KHABRM
COc1ccc(CCN(CC(=O)[O-])C(=O)[C@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1	ZINC000257270594	572312937	/nfs/dbraw/zinc/31/29/37/572312937.db2.gz	MUWINQQMPOVYLQ-IZLXSDGUSA-N	-1	0	537.012	3.973	40	0		KHABRM
COc1ccc(CCN(CC(=O)[O-])C(=O)[C@@H]2OCC(=O)N(Cc3cccc(Cl)c3)[C@@H]2c2ccccc2)cc1	ZINC000257270595	572312995	/nfs/dbraw/zinc/31/29/95/572312995.db2.gz	MUWINQQMPOVYLQ-VSGBNLITSA-N	-1	0	537.012	3.973	40	0		KHABRM
O=C([O-])c1cnc(N2CCN(CCOc3ccccc3F)CC2)nc1COc1ccc2c(c1)CCCC2	ZINC000257278381	572313620	/nfs/dbraw/zinc/31/36/20/572313620.db2.gz	OCAOCJBJUFRKAQ-UHFFFAOYSA-N	-1	0	506.578	3.973	40	0		KHABRM
COc1cccc(-c2cc(-c3cc(CC(=O)[O-])ccc3OCC(N)=O)nn2CCc2ccccc2)c1OC	ZINC000257279659	572313825	/nfs/dbraw/zinc/31/38/25/572313825.db2.gz	OHPSAYQDGKUQCJ-UHFFFAOYSA-N	-1	0	515.566	3.968	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1OCC(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000257285835	572314480	/nfs/dbraw/zinc/31/44/80/572314480.db2.gz	PJCOKXXYUOVYDP-DHIUTWEWSA-N	-1	0	536.503	3.818	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000257290326	572314848	/nfs/dbraw/zinc/31/48/48/572314848.db2.gz	QCKUDZBOWDRLJL-UHFFFAOYSA-N	-1	0	510.515	3.576	40	0		KHABRM
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CCC(=O)[O-])CCc1cccc(Cl)c1	ZINC000257301974	572316012	/nfs/dbraw/zinc/31/60/12/572316012.db2.gz	SAVSRRSFLUYBFN-UHFFFAOYSA-N	-1	0	532.041	3.655	40	0		KHABRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1OCC(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000257302093	572316040	/nfs/dbraw/zinc/31/60/40/572316040.db2.gz	SBMSYOGPBVHWNJ-DNQXCXABSA-N	-1	0	516.978	3.761	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccc(Br)cc1)[C@@H]1OCC(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000257303430	572316173	/nfs/dbraw/zinc/31/61/73/572316173.db2.gz	SHFUGEHPQICYFF-DHIUTWEWSA-N	-1	0	547.402	3.562	40	0		KHABRM
COc1ccc(CCN(CC(=O)[O-])C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3ccccc3OC(C)C)CC2)cc1OC	ZINC000257304280	572316244	/nfs/dbraw/zinc/31/62/44/572316244.db2.gz	SKWFELNCMNJJFB-GPXNEJASSA-N	-1	0	528.646	3.979	40	0		KHABRM
O=C([N-]S(=O)(=O)c1cccc(Br)c1)[C@@H]1OCC(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000257308370	572316750	/nfs/dbraw/zinc/31/67/50/572316750.db2.gz	TWMITVBTADFAFD-DHIUTWEWSA-N	-1	0	547.402	3.562	40	0		KHABRM
O=C([O-])c1cnc(N2CCN(CCOc3ccc(F)cc3)CC2)nc1COc1ccc2c(c1)CCCC2	ZINC000257311332	572317002	/nfs/dbraw/zinc/31/70/02/572317002.db2.gz	UIYXZNSZJPWALE-UHFFFAOYSA-N	-1	0	506.578	3.973	40	0		KHABRM
O=C([O-])c1cccc(Br)c1OCC(=O)N(CCCN1CCOCC1)Cc1cccc(Cl)c1	ZINC000257320053	572317830	/nfs/dbraw/zinc/31/78/30/572317830.db2.gz	VVDODZJKHOBBQW-UHFFFAOYSA-N	-1	0	525.827	3.931	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccccc1Br)[C@@H]1OCC(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1	ZINC000257324541	572318341	/nfs/dbraw/zinc/31/83/41/572318341.db2.gz	WPEPTRUZBNFIAW-DHIUTWEWSA-N	-1	0	547.402	3.562	40	0		KHABRM
O=C([O-])c1cnc(N2CCN(CCOc3ccccc3F)CC2)nc1COc1ccc(F)c(Cl)c1	ZINC000257326047	572318445	/nfs/dbraw/zinc/31/84/45/572318445.db2.gz	WVOAWBACCUEDLB-UHFFFAOYSA-N	-1	0	504.921	3.886	40	0		KHABRM
CN(c1cccc(Cl)c1)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2Br)CC[C@@H]1O	ZINC000257328085	572318669	/nfs/dbraw/zinc/31/86/69/572318669.db2.gz	XEAWVUTZFFSAMY-CCKFTAQKSA-N	-1	0	515.857	3.964	40	0		KHABRM
COc1ccc(CCN(CC(=O)[O-])C(=O)[C@H]2CC[C@H](O)[C@@H](Nc3cccc(OC(C)C)c3)CC2)cc1OC	ZINC000257328958	572318779	/nfs/dbraw/zinc/31/87/79/572318779.db2.gz	XHTSZWZZPSJKRS-ZODMCCGTSA-N	-1	0	528.646	3.979	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(C[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1	ZINC000257338389	572319639	/nfs/dbraw/zinc/31/96/39/572319639.db2.gz	YXEJAGMUPSDHTM-JOCHJYFZSA-N	-1	0	526.586	3.772	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(C[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1	ZINC000257338390	572319637	/nfs/dbraw/zinc/31/96/37/572319637.db2.gz	YXEJAGMUPSDHTM-QFIPXVFZSA-N	-1	0	526.586	3.772	40	0		KHABRM
Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)N(CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1	ZINC000257342190	572320057	/nfs/dbraw/zinc/32/00/57/572320057.db2.gz	ZNMGWVDLXQCDOV-UHFFFAOYSA-N	-1	0	538.432	3.876	40	0		KHABRM
CCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@@H]2c1cccc(OC)c1OCC(=O)[O-]	ZINC000261362145	572104172	/nfs/dbraw/zinc/10/41/72/572104172.db2.gz	GLQQXPRVWYAGGG-FQEVSTJZSA-O	-1	0	534.412	3.846	40	0		KHABRM
CCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1cccc(OC)c1OCC(=O)[O-]	ZINC000261362146	572104187	/nfs/dbraw/zinc/10/41/87/572104187.db2.gz	GLQQXPRVWYAGGG-HXUWFJFHSA-O	-1	0	534.412	3.846	40	0		KHABRM
COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)ccc1OCC(=O)[O-]	ZINC000261363629	572105720	/nfs/dbraw/zinc/10/57/20/572105720.db2.gz	UTRDZWYRVNBIOA-DEOSSOPVSA-O	-1	0	503.560	3.873	40	0		KHABRM
COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4)n[n+]32)ccc1OCC(=O)[O-]	ZINC000261363630	572105914	/nfs/dbraw/zinc/10/59/14/572105914.db2.gz	UTRDZWYRVNBIOA-XMMPIXPASA-O	-1	0	503.560	3.873	40	0		KHABRM
CCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@@H]2c1ccccc1OCC(=O)[O-]	ZINC000261363994	572106345	/nfs/dbraw/zinc/10/63/45/572106345.db2.gz	IZWIAJYARSDFCB-IBGZPJMESA-O	-1	0	504.386	3.837	40	0		KHABRM
CCCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1ccccc1OCC(=O)[O-]	ZINC000261363995	572106476	/nfs/dbraw/zinc/10/64/76/572106476.db2.gz	IZWIAJYARSDFCB-LJQANCHMSA-O	-1	0	504.386	3.837	40	0		KHABRM
CCOc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SCC)n[n+]32)ccc1OCC(=O)[O-]	ZINC000261364407	572106893	/nfs/dbraw/zinc/10/68/93/572106893.db2.gz	LHRSOBHJOQGNQX-FQEVSTJZSA-O	-1	0	534.412	3.846	40	0		KHABRM
CCOc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[n-]c(SCC)n[n+]32)ccc1OCC(=O)[O-]	ZINC000261364408	572106953	/nfs/dbraw/zinc/10/69/53/572106953.db2.gz	LHRSOBHJOQGNQX-HXUWFJFHSA-O	-1	0	534.412	3.846	40	0		KHABRM
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(OCC(=O)[O-])cc1	ZINC000261366368	572109272	/nfs/dbraw/zinc/10/92/72/572109272.db2.gz	ZFUIWSJJWLMNIV-IBGZPJMESA-O	-1	0	502.370	3.613	40	0		KHABRM
C=CCSc1n[n+]2c(c(=O)[n-]1)-c1cc(Br)ccc1N[C@H]2c1ccc(OCC(=O)[O-])cc1	ZINC000261366369	572108902	/nfs/dbraw/zinc/10/89/02/572108902.db2.gz	ZFUIWSJJWLMNIV-LJQANCHMSA-O	-1	0	502.370	3.613	40	0		KHABRM
C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000309823040	572145666	/nfs/dbraw/zinc/14/56/66/572145666.db2.gz	QBYYWPMYAPYVGF-PONJGIIJSA-N	-1	0	512.559	3.823	40	0		KHABRM
C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000309823042	572145564	/nfs/dbraw/zinc/14/55/64/572145564.db2.gz	QBYYWPMYAPYVGF-WCJKSRRJSA-N	-1	0	512.559	3.823	40	0		KHABRM
C[C@@H](OC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000309823043	572145588	/nfs/dbraw/zinc/14/55/88/572145588.db2.gz	QBYYWPMYAPYVGF-WJONJSRFSA-N	-1	0	512.559	3.823	40	0		KHABRM
O=C([O-])CNc1nc(Nc2ccc(I)cc2F)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329025280	572149442	/nfs/dbraw/zinc/14/94/42/572149442.db2.gz	PFFBTFCOWKJBIE-UHFFFAOYSA-N	-1	0	548.234	3.870	40	0		KHABRM
O=C([O-])CNc1nc(Nc2ccccc2I)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329065334	572151225	/nfs/dbraw/zinc/15/12/25/572151225.db2.gz	XQBBAJYIPZQSBX-UHFFFAOYSA-N	-1	0	530.244	3.731	40	0		KHABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c3ccccc32)o1	ZINC000408540767	572206560	/nfs/dbraw/zinc/20/65/60/572206560.db2.gz	BOFAWIPFVHVXQT-JAIQZWGSSA-N	-1	0	502.458	3.651	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)cc1	ZINC000408541255	572208519	/nfs/dbraw/zinc/20/85/19/572208519.db2.gz	FPUBSDYMQMVJSC-MTJSOVHGSA-N	-1	0	514.494	3.521	40	0		KHABRM
O=C([O-])c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccc(Cl)cc2)ccc1Cl	ZINC000408541939	572209688	/nfs/dbraw/zinc/20/96/88/572209688.db2.gz	FYFIDQPTWFXQQD-UHFFFAOYSA-N	-1	0	522.414	3.835	40	0		KHABRM
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1	ZINC000408543550	572213309	/nfs/dbraw/zinc/21/33/09/572213309.db2.gz	FFGAJMCDXHPDRA-UHFFFAOYSA-N	-1	0	502.932	3.966	40	0		KHABRM
O=C([O-])c1ccc(Cn2cc(/C=C3\NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c3ccccc32)o1	ZINC000408543664	572213202	/nfs/dbraw/zinc/21/32/02/572213202.db2.gz	RZQDYRSQUCSDTB-JAIQZWGSSA-N	-1	0	502.458	3.651	40	0		KHABRM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	ZINC000408545314	572218403	/nfs/dbraw/zinc/21/84/03/572218403.db2.gz	KFIZRNSRHAIMME-UHFFFAOYSA-N	-1	0	524.418	3.874	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408545389	572218536	/nfs/dbraw/zinc/21/85/36/572218536.db2.gz	LBCULMIYUGMSPL-UHFFFAOYSA-N	-1	0	612.524	3.980	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccc(F)cc2)cc1	ZINC000408547659	572226223	/nfs/dbraw/zinc/22/62/23/572226223.db2.gz	KSPWJJBWZSYBHI-UHFFFAOYSA-N	-1	0	576.653	3.926	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)c1	ZINC000408547680	572226931	/nfs/dbraw/zinc/22/69/31/572226931.db2.gz	LELXNXPOTCSWFN-UHFFFAOYSA-N	-1	0	612.524	3.980	40	0		KHABRM
COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O	ZINC000408549452	572232090	/nfs/dbraw/zinc/23/20/90/572232090.db2.gz	TVTUTLADALATJS-LZYBPNLTSA-N	-1	0	568.174	3.555	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c(OC)c1	ZINC000408563804	572249876	/nfs/dbraw/zinc/24/98/76/572249876.db2.gz	QSSKIPJDLDXCDI-UHFFFAOYSA-N	-1	0	502.545	3.783	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1	ZINC000408564945	572251183	/nfs/dbraw/zinc/25/11/83/572251183.db2.gz	GSSFYSCLANBJSG-UHFFFAOYSA-N	-1	0	502.545	3.783	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C1=O	ZINC000408587276	572266466	/nfs/dbraw/zinc/26/64/66/572266466.db2.gz	BIXGLAIKVCNFCD-OVCLIPMQSA-N	-1	0	510.138	3.768	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1OCc1ccc(Br)cc1	ZINC000408587954	572266707	/nfs/dbraw/zinc/26/67/07/572266707.db2.gz	ARTXMERZHXOIJD-GIDUJCDVSA-N	-1	0	540.164	3.777	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O	ZINC000408588446	572266865	/nfs/dbraw/zinc/26/68/65/572266865.db2.gz	BOMUXVSTKFGFTA-OVCLIPMQSA-N	-1	0	557.138	3.610	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C1=O	ZINC000408588589	572266957	/nfs/dbraw/zinc/26/69/57/572266957.db2.gz	BYQJSTXCGPSIMR-VIZOYTHASA-N	-1	0	528.128	3.907	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl	ZINC000408589046	572267109	/nfs/dbraw/zinc/26/71/09/572267109.db2.gz	CSMKBWOFNCPSMV-LZYBPNLTSA-N	-1	0	556.740	3.900	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)C1=O	ZINC000408589688	572267337	/nfs/dbraw/zinc/26/73/37/572267337.db2.gz	FMQRTHPZBPAHGM-OVCLIPMQSA-N	-1	0	557.138	3.610	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(Br)cc1	ZINC000408590149	572267601	/nfs/dbraw/zinc/26/76/01/572267601.db2.gz	GGZKFYJDMVHAQG-VIZOYTHASA-N	-1	0	540.164	3.777	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OCc1ccc(I)cc1	ZINC000408590152	572267544	/nfs/dbraw/zinc/26/75/44/572267544.db2.gz	GHSRHFXIGUULLC-VIZOYTHASA-N	-1	0	587.164	3.619	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C1=O	ZINC000408591194	572268144	/nfs/dbraw/zinc/26/81/44/572268144.db2.gz	IYZYAMYQSVOYOJ-OVCLIPMQSA-N	-1	0	557.138	3.610	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(C)cc1	ZINC000408591307	572268110	/nfs/dbraw/zinc/26/81/10/572268110.db2.gz	JNIYOHBKVOXCIY-RQZCQDPDSA-N	-1	0	536.322	3.555	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc(I)cc1	ZINC000408591336	572268137	/nfs/dbraw/zinc/26/81/37/572268137.db2.gz	JSCDAESZAVCWJB-VIZOYTHASA-N	-1	0	542.713	3.510	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(F)cc3)c(I)c2)C1=O	ZINC000408592150	572268488	/nfs/dbraw/zinc/26/84/88/572268488.db2.gz	LEYFAHPBVUTZMU-VIZOYTHASA-N	-1	0	622.128	3.591	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc(F)c3)c(I)c2)C1=O	ZINC000408592572	572268711	/nfs/dbraw/zinc/26/87/11/572268711.db2.gz	MQTRBIWQVAYMCZ-VIZOYTHASA-N	-1	0	622.128	3.591	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)C1=O	ZINC000408592638	572268667	/nfs/dbraw/zinc/26/86/67/572268667.db2.gz	NDIUZLBQVFLDPM-OVCLIPMQSA-N	-1	0	510.138	3.768	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)C1=O	ZINC000408592679	572268673	/nfs/dbraw/zinc/26/86/73/572268673.db2.gz	NJLISYNPDFVODZ-OVCLIPMQSA-N	-1	0	512.687	3.501	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C1=O	ZINC000408593028	572268952	/nfs/dbraw/zinc/26/89/52/572268952.db2.gz	OFFHYEJKNYBYCW-VIZOYTHASA-N	-1	0	528.128	3.907	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1	ZINC000408593398	572269226	/nfs/dbraw/zinc/26/92/26/572269226.db2.gz	MPKYXOYAVZSZLP-UHFFFAOYSA-N	-1	0	514.556	3.861	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(I)cc1	ZINC000408593450	572269220	/nfs/dbraw/zinc/26/92/20/572269220.db2.gz	PPLGBTSMDVEMOL-LZYBPNLTSA-N	-1	0	648.191	3.851	40	0		KHABRM
Cc1cccc(COc2c(I)cc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)cc2I)c1	ZINC000408593453	572269193	/nfs/dbraw/zinc/26/91/93/572269193.db2.gz	PPODHBGFVDAQBZ-LZYBPNLTSA-N	-1	0	618.165	3.761	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3F)c(I)c2)C1=O	ZINC000408593632	572269298	/nfs/dbraw/zinc/26/92/98/572269298.db2.gz	QSFYZWWBGVXUME-VIZOYTHASA-N	-1	0	622.128	3.591	40	0		KHABRM
Cc1ccc(COc2c(I)cc(/C=C3/NC(=O)N(CC(=O)[O-])C3=O)cc2I)cc1	ZINC000408593805	572269284	/nfs/dbraw/zinc/26/92/84/572269284.db2.gz	RLTOOPOFVABILF-LZYBPNLTSA-N	-1	0	618.165	3.761	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1	ZINC000408594315	572269627	/nfs/dbraw/zinc/26/96/27/572269627.db2.gz	OKOFXQIMKDNKJS-UHFFFAOYSA-N	-1	0	514.556	3.861	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1	ZINC000408594352	572269624	/nfs/dbraw/zinc/26/96/24/572269624.db2.gz	OQQIHWCTRQLSPD-UHFFFAOYSA-N	-1	0	500.529	3.552	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1	ZINC000408594544	572269704	/nfs/dbraw/zinc/26/97/04/572269704.db2.gz	TZJYQENSPJRXNU-LZYBPNLTSA-N	-1	0	556.740	3.900	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3Cl)c(I)c2)C1=O	ZINC000408594651	572269822	/nfs/dbraw/zinc/26/98/22/572269822.db2.gz	UPMJULHKAADJKM-OVCLIPMQSA-N	-1	0	512.687	3.501	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Cl)cc1	ZINC000408594845	572269957	/nfs/dbraw/zinc/26/99/57/572269957.db2.gz	PKIDRVACQDSVAI-CHHVJCJISA-N	-1	0	542.713	3.510	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccc(Br)cc1	ZINC000408595116	572270237	/nfs/dbraw/zinc/27/02/37/572270237.db2.gz	VQSZXLYQCYAWSO-VIZOYTHASA-N	-1	0	587.164	3.619	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1cccc(C)c1	ZINC000408595329	572270290	/nfs/dbraw/zinc/27/02/90/572270290.db2.gz	WDZNDFXEQDHUPR-RQZCQDPDSA-N	-1	0	536.322	3.555	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc(I)cc1	ZINC000408595977	572270593	/nfs/dbraw/zinc/27/05/93/572270593.db2.gz	YKWAOQPSNNUKID-LZYBPNLTSA-N	-1	0	556.740	3.900	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C1=O	ZINC000408596149	572270735	/nfs/dbraw/zinc/27/07/35/572270735.db2.gz	RJDYKGJUCGAXRX-OVCLIPMQSA-N	-1	0	510.138	3.768	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccccc1Cl	ZINC000408596180	572270730	/nfs/dbraw/zinc/27/07/30/572270730.db2.gz	RLTFNYREAPDTDK-VIZOYTHASA-N	-1	0	542.713	3.510	40	0		KHABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C1=O	ZINC000408596391	572270873	/nfs/dbraw/zinc/27/08/73/572270873.db2.gz	YVFNUMXPZXRNIM-VIZOYTHASA-N	-1	0	528.128	3.907	40	0		KHABRM
CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OC)cc1NC(=O)c1ccccc1	ZINC000408597965	572271829	/nfs/dbraw/zinc/27/18/29/572271829.db2.gz	XAHXXKQEZZIHCG-UHFFFAOYSA-N	-1	0	514.556	3.942	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1	ZINC000408598376	572272032	/nfs/dbraw/zinc/27/20/32/572272032.db2.gz	ZOOZTLPMUWNPHQ-UHFFFAOYSA-N	-1	0	518.519	3.691	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1	ZINC000408612029	572276793	/nfs/dbraw/zinc/27/67/93/572276793.db2.gz	XZXJNHHSKJMBHA-INIZCTEOSA-N	-1	0	520.604	3.507	40	0		KHABRM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1	ZINC000408612031	572276757	/nfs/dbraw/zinc/27/67/57/572276757.db2.gz	XZXJNHHSKJMBHA-MRXNPFEDSA-N	-1	0	520.604	3.507	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1I	ZINC000408616676	572278997	/nfs/dbraw/zinc/27/89/97/572278997.db2.gz	AZXFSCGUEHZDGR-UHFFFAOYSA-N	-1	0	500.358	3.727	40	0		KHABRM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(I)c2)sc2c1CCC2	ZINC000408616924	572279127	/nfs/dbraw/zinc/27/91/27/572279127.db2.gz	DDMXJANNIJPKHA-UHFFFAOYSA-N	-1	0	507.371	3.828	40	0		KHABRM
CCc1nnc(S/C(=C\c2cc(I)cc(I)c2O)C(=O)[O-])o1	ZINC000408631207	572287143	/nfs/dbraw/zinc/28/71/43/572287143.db2.gz	GCRTVMCUDHQZMR-WTKPLQERSA-N	-1	0	544.108	3.765	40	0		KHABRM
CCOC(=O)COc1ccc(C=C(Sc2n[nH]c(-c3cc(OC)cc(OC)c3)n2)C(=O)[O-])cc1OC	ZINC000408631362	572287438	/nfs/dbraw/zinc/28/74/38/572287438.db2.gz	DMASQJVFIFVVGH-UKWGHVSLSA-N	-1	0	515.544	3.657	40	0		KHABRM
CCc1nc(SC(=Cc2cc(I)cc(I)c2OC)C(=O)[O-])n[nH]1	ZINC000408631837	572288031	/nfs/dbraw/zinc/28/80/31/572288031.db2.gz	MBQBWUKDBHMQMZ-YHYXMXQVSA-N	-1	0	557.151	3.803	40	0		KHABRM
CCc1nc(SC(=Cc2cc(I)c(OC)c(I)c2)C(=O)[O-])n[nH]1	ZINC000408631920	572288206	/nfs/dbraw/zinc/28/82/06/572288206.db2.gz	NFKLURWGXHTZKF-POHAHGRESA-N	-1	0	557.151	3.803	40	0		KHABRM
COc1c(I)cc(I)cc1/C=C(\Sc1nnc(C)o1)C(=O)[O-]	ZINC000408632047	572288318	/nfs/dbraw/zinc/28/83/18/572288318.db2.gz	HMJRMGQZLYSOKF-WMZJFQQLSA-N	-1	0	544.108	3.814	40	0		KHABRM
CCOC(=O)COc1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)o2)C(=O)[O-])cc1OC	ZINC000408632534	572289018	/nfs/dbraw/zinc/28/90/18/572289018.db2.gz	JLVDSVVZTNLIRH-UKWGHVSLSA-N	-1	0	516.528	3.922	40	0		KHABRM
CCCc1nc(SC(=Cc2cc(I)c(OCC(=O)OCC)c(OC)c2)C(=O)[O-])n[nH]1	ZINC000408632860	572289382	/nfs/dbraw/zinc/28/93/82/572289382.db2.gz	UHYDBYHQADGMSR-ZROIWOOFSA-N	-1	0	547.371	3.530	40	0		KHABRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Br)c(N4CCOCC4)o3)C(=O)[O-])n[nH]2)c1	ZINC000408633106	572289667	/nfs/dbraw/zinc/28/96/67/572289667.db2.gz	LOZPBBSJVUIVCR-BOPFTXTBSA-N	-1	0	537.392	3.899	40	0		KHABRM
COc1c(I)cc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])cc1I	ZINC000408633138	572289874	/nfs/dbraw/zinc/28/98/74/572289874.db2.gz	WHVWXAYIZWEWER-YHYXMXQVSA-N	-1	0	544.108	3.814	40	0		KHABRM
CCCc1nc(SC(=Cc2cc(I)cc(I)c2O)C(=O)[O-])n[nH]1	ZINC000408633148	572289877	/nfs/dbraw/zinc/28/98/77/572289877.db2.gz	WKYGIDOGUABFBC-YHYXMXQVSA-N	-1	0	557.151	3.890	40	0		KHABRM
Cc1nnc(S/C(=C\c2cc(I)cc(I)c2O)C(=O)[O-])o1	ZINC000408633454	572290226	/nfs/dbraw/zinc/29/02/26/572290226.db2.gz	YPIDGKXYFNBYNO-OQFOIZHKSA-N	-1	0	530.081	3.511	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	ZINC000408652178	572303754	/nfs/dbraw/zinc/30/37/54/572303754.db2.gz	HKPVEIXJTLBMNO-AZZUFQGZSA-N	-1	0	521.356	3.917	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	ZINC000408652182	572303708	/nfs/dbraw/zinc/30/37/08/572303708.db2.gz	HKPVEIXJTLBMNO-CFDLBASYSA-N	-1	0	521.356	3.917	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	ZINC000408652185	572303763	/nfs/dbraw/zinc/30/37/63/572303763.db2.gz	HKPVEIXJTLBMNO-PRSBGKBPSA-N	-1	0	521.356	3.917	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	ZINC000408656412	572306123	/nfs/dbraw/zinc/30/61/23/572306123.db2.gz	MGKREIJEZHYAQQ-AZZUFQGZSA-N	-1	0	521.356	3.917	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	ZINC000408656413	572306114	/nfs/dbraw/zinc/30/61/14/572306114.db2.gz	MGKREIJEZHYAQQ-CFDLBASYSA-N	-1	0	521.356	3.917	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1	ZINC000408656414	572306135	/nfs/dbraw/zinc/30/61/35/572306135.db2.gz	MGKREIJEZHYAQQ-PRSBGKBPSA-N	-1	0	521.356	3.917	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1	ZINC000408667652	572312857	/nfs/dbraw/zinc/31/28/57/572312857.db2.gz	CBQXUKVFVMBESQ-FPAXGFGJSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1	ZINC000408667653	572312808	/nfs/dbraw/zinc/31/28/08/572312808.db2.gz	CBQXUKVFVMBESQ-KWMZMRFFSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1	ZINC000408667654	572312833	/nfs/dbraw/zinc/31/28/33/572312833.db2.gz	CBQXUKVFVMBESQ-XDJZYPBNSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)cc1	ZINC000408667655	572312811	/nfs/dbraw/zinc/31/28/11/572312811.db2.gz	CBQXUKVFVMBESQ-YKUCYRFJSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21	ZINC000408673447	572316671	/nfs/dbraw/zinc/31/66/71/572316671.db2.gz	SFSSROYFZBGLSS-FPAXGFGJSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21	ZINC000408673450	572316773	/nfs/dbraw/zinc/31/67/73/572316773.db2.gz	SFSSROYFZBGLSS-KWMZMRFFSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21	ZINC000408673452	572316808	/nfs/dbraw/zinc/31/68/08/572316808.db2.gz	SFSSROYFZBGLSS-XDJZYPBNSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21	ZINC000408673454	572316809	/nfs/dbraw/zinc/31/68/09/572316809.db2.gz	SFSSROYFZBGLSS-YKUCYRFJSA-N	-1	0	531.362	3.722	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1	ZINC000408677270	572319031	/nfs/dbraw/zinc/31/90/31/572319031.db2.gz	CAEPDXPKWDWWMN-UHFFFAOYSA-N	-1	0	561.682	3.998	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1	ZINC000408678243	572319757	/nfs/dbraw/zinc/31/97/57/572319757.db2.gz	HQSKAEMBJQSCES-UHFFFAOYSA-N	-1	0	557.694	3.985	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000408678309	572319662	/nfs/dbraw/zinc/31/96/62/572319662.db2.gz	FIYQYOOASYPWDK-UHFFFAOYSA-N	-1	0	555.103	3.778	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)cc2)c(OC)c1	ZINC000408678367	572319867	/nfs/dbraw/zinc/31/98/67/572319867.db2.gz	GHCZDFAWSVLQBS-UHFFFAOYSA-N	-1	0	587.720	3.994	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c1	ZINC000408678892	572320090	/nfs/dbraw/zinc/32/00/90/572320090.db2.gz	JIQAILYOBIIHLW-UHFFFAOYSA-N	-1	0	565.695	3.606	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	ZINC000408678949	572320113	/nfs/dbraw/zinc/32/01/13/572320113.db2.gz	GIYHZFZDWSEQTH-GOSISDBHSA-N	-1	0	549.696	3.905	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1	ZINC000408678955	572320185	/nfs/dbraw/zinc/32/01/85/572320185.db2.gz	GIYHZFZDWSEQTH-SFHVURJKSA-N	-1	0	549.696	3.905	40	0		KHABRM
O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000408678988	572320142	/nfs/dbraw/zinc/32/01/42/572320142.db2.gz	HFHJLMRVBGKMPB-UHFFFAOYSA-N	-1	0	544.611	3.897	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)c1	ZINC000408679486	572320550	/nfs/dbraw/zinc/32/05/50/572320550.db2.gz	MGXXAVYKGKWGBZ-UHFFFAOYSA-N	-1	0	587.720	3.994	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)c1	ZINC000408679694	572320719	/nfs/dbraw/zinc/32/07/19/572320719.db2.gz	JXMQQWNVQHRGPY-UHFFFAOYSA-N	-1	0	573.693	3.685	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408680190	572320975	/nfs/dbraw/zinc/32/09/75/572320975.db2.gz	PIKNLJWREIMDJV-UHFFFAOYSA-N	-1	0	561.682	3.998	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)cc2)c(OC)c1	ZINC000408680544	572321126	/nfs/dbraw/zinc/32/11/26/572321126.db2.gz	NGMJMOQOCZMSNJ-UHFFFAOYSA-N	-1	0	587.720	3.994	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)c1	ZINC000408680906	572321447	/nfs/dbraw/zinc/32/14/47/572321447.db2.gz	STSLNWFFYCFLDT-UHFFFAOYSA-N	-1	0	591.683	3.824	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1	ZINC000408680993	1066541823	/nfs/dbraw/zinc/54/18/23/1066541823.db2.gz	VDTNECWMUSGANZ-UHFFFAOYSA-N	-1	0	555.103	3.778	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)cc2)c(OC)c1	ZINC000408681096	1066541534	/nfs/dbraw/zinc/54/15/34/1066541534.db2.gz	OZCGAPKMRMYIRC-UHFFFAOYSA-N	-1	0	591.683	3.824	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408681207	1066541583	/nfs/dbraw/zinc/54/15/83/1066541583.db2.gz	QCCVBKUUNRRIND-UHFFFAOYSA-N	-1	0	561.682	3.998	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c1	ZINC000408681208	1066541491	/nfs/dbraw/zinc/54/14/91/1066541491.db2.gz	QCTKPGYGLWNCOW-KRWDZBQOSA-N	-1	0	565.695	3.606	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c1	ZINC000408681211	1066541475	/nfs/dbraw/zinc/54/14/75/1066541475.db2.gz	QCTKPGYGLWNCOW-QGZVFWFLSA-N	-1	0	565.695	3.606	40	0		KHABRM
CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2)cc1	ZINC000408681528	1066541193	/nfs/dbraw/zinc/54/11/93/1066541193.db2.gz	XDEYDSFZLMJMPC-UHFFFAOYSA-N	-1	0	552.725	3.705	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1	ZINC000408681897	1066541062	/nfs/dbraw/zinc/54/10/62/1066541062.db2.gz	VNDJGDYWFVOMPA-UHFFFAOYSA-N	-1	0	531.656	3.989	40	0		KHABRM
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(Cl)c1	ZINC000408681921	1066541141	/nfs/dbraw/zinc/54/11/41/1066541141.db2.gz	WCORAPUVSUUMBJ-UHFFFAOYSA-N	-1	0	529.065	3.782	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1	ZINC000408682529	1066540731	/nfs/dbraw/zinc/54/07/31/1066540731.db2.gz	YTYFKGUMXBLUQY-UHFFFAOYSA-N	-1	0	573.093	3.917	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC	ZINC000408693088	1066544734	/nfs/dbraw/zinc/54/47/34/1066544734.db2.gz	GKKPYEAEIDLBIM-UHFFFAOYSA-N	-1	0	567.664	3.722	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)cc2)c1	ZINC000408693264	1066544872	/nfs/dbraw/zinc/54/48/72/1066544872.db2.gz	LTLCTZAHPJOHCO-UHFFFAOYSA-N	-1	0	575.665	3.550	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1	ZINC000408693272	1066544810	/nfs/dbraw/zinc/54/48/10/1066544810.db2.gz	MFMIODBUPBHHHM-UHFFFAOYSA-N	-1	0	559.666	3.850	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1C(=O)N1CCCC1	ZINC000408693457	1066544265	/nfs/dbraw/zinc/54/42/65/1066544265.db2.gz	VLFRDGXIBOIMQS-UHFFFAOYSA-N	-1	0	507.612	3.705	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)cc2)c1	ZINC000408693458	1066544842	/nfs/dbraw/zinc/54/48/42/1066544842.db2.gz	VNTDEIKUVBRZAC-UHFFFAOYSA-N	-1	0	589.692	3.940	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C(=O)N1CCCCCC1	ZINC000408693464	1066544453	/nfs/dbraw/zinc/54/44/53/1066544453.db2.gz	VQEQIYACWJVJFS-UHFFFAOYSA-N	-1	0	550.684	3.770	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1C(=O)N1CCCCCC1	ZINC000408693523	1066544133	/nfs/dbraw/zinc/54/41/33/1066544133.db2.gz	YNJUNMFOIRKULI-UHFFFAOYSA-N	-1	0	522.627	3.837	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c(OC)c1	ZINC000408693905	1066544433	/nfs/dbraw/zinc/54/44/33/1066544433.db2.gz	AXXWKIAZHQMSMQ-UHFFFAOYSA-N	-1	0	565.695	3.606	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1	ZINC000408694375	1066543459	/nfs/dbraw/zinc/54/34/59/1066543459.db2.gz	DXACVTLARCSAAQ-UHFFFAOYSA-N	-1	0	549.696	3.905	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c(OC)c1	ZINC000408694438	1066543893	/nfs/dbraw/zinc/54/38/93/1066543893.db2.gz	HAXXFFVCRRHIAE-KRWDZBQOSA-N	-1	0	565.695	3.606	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)c(OC)c1	ZINC000408694439	1066543692	/nfs/dbraw/zinc/54/36/92/1066543692.db2.gz	HAXXFFVCRRHIAE-QGZVFWFLSA-N	-1	0	565.695	3.606	40	0		KHABRM
CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1	ZINC000408694481	1066543643	/nfs/dbraw/zinc/54/36/43/1066543643.db2.gz	IJPONAWSYRDIQO-UHFFFAOYSA-N	-1	0	529.065	3.782	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)c1	ZINC000408694517	1066543470	/nfs/dbraw/zinc/54/34/70/1066543470.db2.gz	IXXMHVQUPXRIBW-UHFFFAOYSA-N	-1	0	547.655	3.690	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)cc2)c(OC)c1	ZINC000408694637	1066543166	/nfs/dbraw/zinc/54/31/66/1066543166.db2.gz	LECGSKNQWUWFKR-UHFFFAOYSA-N	-1	0	591.683	3.824	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)cc2)c1	ZINC000408694922	1066543233	/nfs/dbraw/zinc/54/32/33/1066543233.db2.gz	JXPFIAWWZRLYDJ-UHFFFAOYSA-N	-1	0	587.720	3.994	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)cc2)c1	ZINC000408695163	1066542729	/nfs/dbraw/zinc/54/27/29/1066542729.db2.gz	LPVZWYHAFSRSKJ-UHFFFAOYSA-N	-1	0	587.720	3.994	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1	ZINC000408695211	1066543442	/nfs/dbraw/zinc/54/34/42/1066543442.db2.gz	NUOBLRAFFAIKKX-UHFFFAOYSA-N	-1	0	555.103	3.778	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)c(OC)c1	ZINC000408695553	1066542744	/nfs/dbraw/zinc/54/27/44/1066542744.db2.gz	REFYLIRKIAVKPQ-UHFFFAOYSA-N	-1	0	573.693	3.685	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)cc2)c(OC)c1	ZINC000408695636	1066542836	/nfs/dbraw/zinc/54/28/36/1066542836.db2.gz	SIXMWQHTJDSTSO-UHFFFAOYSA-N	-1	0	587.720	3.994	40	0		KHABRM
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)cc1	ZINC000408695695	1066542353	/nfs/dbraw/zinc/54/23/53/1066542353.db2.gz	TWPAJNCBDVVVTC-GOSISDBHSA-N	-1	0	519.670	3.897	40	0		KHABRM
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccs4)C3)cc2)cc1	ZINC000408695698	1066542310	/nfs/dbraw/zinc/54/23/10/1066542310.db2.gz	TWPAJNCBDVVVTC-SFHVURJKSA-N	-1	0	519.670	3.897	40	0		KHABRM
Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)CC2)c1	ZINC000408695712	1066542339	/nfs/dbraw/zinc/54/23/39/1066542339.db2.gz	UEKXTEDQYKEUQB-UHFFFAOYSA-N	-1	0	527.668	3.976	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1	ZINC000408695722	1066542133	/nfs/dbraw/zinc/54/21/33/1066542133.db2.gz	XUDMALDXUQMSRK-UHFFFAOYSA-N	-1	0	531.631	3.807	40	0		KHABRM
Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)c1	ZINC000408695779	1066542161	/nfs/dbraw/zinc/54/21/61/1066542161.db2.gz	ZDISPZSTKPNWMS-UHFFFAOYSA-N	-1	0	501.630	3.981	40	0		KHABRM
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)cc1	ZINC000408696081	1066542236	/nfs/dbraw/zinc/54/22/36/1066542236.db2.gz	ZUNSRLASZNDEEL-UHFFFAOYSA-N	-1	0	517.629	3.681	40	0		KHABRM
CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1	ZINC000408700257	1066552462	/nfs/dbraw/zinc/55/24/62/1066552462.db2.gz	BXAVADXDSKMFKB-UHFFFAOYSA-N	-1	0	519.601	3.519	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3OC)cc2)c(OC)c1	ZINC000408700619	1066551788	/nfs/dbraw/zinc/55/17/88/1066551788.db2.gz	JANPUVXHWGJQEX-UHFFFAOYSA-N	-1	0	589.692	3.940	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000408701224	1066551203	/nfs/dbraw/zinc/55/12/03/1066551203.db2.gz	UOWJFNOSCFJAKA-UHFFFAOYSA-N	-1	0	534.685	3.925	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	ZINC000408701406	1066551295	/nfs/dbraw/zinc/55/12/95/1066551295.db2.gz	XKYRQIUZIZOEQG-UHFFFAOYSA-N	-1	0	527.049	3.634	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1	ZINC000408701483	1066551184	/nfs/dbraw/zinc/55/11/84/1066551184.db2.gz	YRPPPSYRBQSIIC-UHFFFAOYSA-N	-1	0	580.084	3.731	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)cc2)c(OC)c1	ZINC000408701588	1066551459	/nfs/dbraw/zinc/55/14/59/1066551459.db2.gz	AJTUPJUVWFHYOI-UHFFFAOYSA-N	-1	0	559.666	3.850	40	0		KHABRM
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1	ZINC000408702927	1066550876	/nfs/dbraw/zinc/55/08/76/1066550876.db2.gz	KFLIBBOBHLBSHD-UHFFFAOYSA-N	-1	0	533.628	3.543	40	0		KHABRM
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)cc1	ZINC000408703487	1066550293	/nfs/dbraw/zinc/55/02/93/1066550293.db2.gz	SIZWQDPYBWLRDE-UHFFFAOYSA-N	-1	0	517.629	3.843	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3OC)cc2)c(OC)c1	ZINC000408703558	1066550057	/nfs/dbraw/zinc/55/00/57/1066550057.db2.gz	SSIRRQWEXBPVQJ-UHFFFAOYSA-N	-1	0	575.665	3.550	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	ZINC000408703788	1066550026	/nfs/dbraw/zinc/55/00/26/1066550026.db2.gz	HCVXDXWGILTMFM-UHFFFAOYSA-N	-1	0	575.665	3.718	40	0		KHABRM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000408703961	1066550107	/nfs/dbraw/zinc/55/01/07/1066550107.db2.gz	XCIOYRAUKURNDW-UHFFFAOYSA-N	-1	0	520.658	3.679	40	0		KHABRM
CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O	ZINC000408705540	1066548584	/nfs/dbraw/zinc/54/85/84/1066548584.db2.gz	IEMCNMSIOGHZQY-UHFFFAOYSA-N	-1	0	538.047	3.550	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1)c1ccc2c(c1)OCO2	ZINC000408705654	1066548549	/nfs/dbraw/zinc/54/85/49/1066548549.db2.gz	KNYROZFHFMVETJ-UHFFFAOYSA-N	-1	0	566.057	3.973	40	0		KHABRM
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)cc1C	ZINC000408705836	1066548564	/nfs/dbraw/zinc/54/85/64/1066548564.db2.gz	OJXUZFHOXKHULG-UHFFFAOYSA-N	-1	0	531.656	3.513	40	0		KHABRM
CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1)S(C)(=O)=O	ZINC000408706067	1066548503	/nfs/dbraw/zinc/54/85/03/1066548503.db2.gz	UQEWCXLLDHXNMM-UHFFFAOYSA-N	-1	0	582.498	3.659	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1C(=O)N1CCC(C)CC1	ZINC000408706108	1066548398	/nfs/dbraw/zinc/54/83/98/1066548398.db2.gz	VJPOUGNXTJIHAV-UHFFFAOYSA-N	-1	0	511.600	3.891	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1ccc2c(c1)OCO2	ZINC000408706151	1066548669	/nfs/dbraw/zinc/54/86/69/1066548669.db2.gz	WDTWADGONBAVQT-UHFFFAOYSA-N	-1	0	596.481	3.773	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1)c1ccc2c(c1)OCO2	ZINC000408706169	1066548624	/nfs/dbraw/zinc/54/86/24/1066548624.db2.gz	WPIRHWXGDUAFSC-UHFFFAOYSA-N	-1	0	566.057	3.973	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)c1ccc2c(c1)OCO2	ZINC000408706293	1066548430	/nfs/dbraw/zinc/54/84/30/1066548430.db2.gz	ZKCDKHWTWBEGFL-UHFFFAOYSA-N	-1	0	566.057	3.973	40	0		KHABRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)c1	ZINC000408706381	1066548355	/nfs/dbraw/zinc/54/83/55/1066548355.db2.gz	IVYASKSUQYZODA-UHFFFAOYSA-N	-1	0	531.656	3.513	40	0		KHABRM
CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)cc2)cc1	ZINC000408706417	1066190689	/nfs/dbraw/zinc/19/06/89/1066190689.db2.gz	PCUPNZFEWZZKLR-UHFFFAOYSA-N	-1	0	533.628	3.543	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCC(C)CC1	ZINC000408706420	1066548483	/nfs/dbraw/zinc/54/84/83/1066548483.db2.gz	PPNNCDZEEWZNGJ-UHFFFAOYSA-N	-1	0	549.715	3.933	40	0		KHABRM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCC(C)CC1	ZINC000408706424	1066548607	/nfs/dbraw/zinc/54/86/07/1066548607.db2.gz	RAXWSHSJRHFJAO-UHFFFAOYSA-N	-1	0	535.688	3.543	40	0		KHABRM
CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1)c1ccc2c(c1)OCCO2	ZINC000408706486	1066548469	/nfs/dbraw/zinc/54/84/69/1066548469.db2.gz	ZTMBHUNSVFTPDP-UHFFFAOYSA-N	-1	0	559.666	3.670	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c1	ZINC000408711133	1066555245	/nfs/dbraw/zinc/55/52/45/1066555245.db2.gz	OLNBTVZSUGGZHH-INIZCTEOSA-N	-1	0	598.099	3.960	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c1	ZINC000408711134	1066555229	/nfs/dbraw/zinc/55/52/29/1066555229.db2.gz	OLNBTVZSUGGZHH-MRXNPFEDSA-N	-1	0	598.099	3.960	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408711347	1066555212	/nfs/dbraw/zinc/55/52/12/1066555212.db2.gz	KTMSEFKUWIDSIJ-INIZCTEOSA-N	-1	0	598.099	3.960	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408711348	1066555135	/nfs/dbraw/zinc/55/51/35/1066555135.db2.gz	KTMSEFKUWIDSIJ-MRXNPFEDSA-N	-1	0	598.099	3.960	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408712262	1066555305	/nfs/dbraw/zinc/55/53/05/1066555305.db2.gz	FAOLWYAEBWPFPN-IBGZPJMESA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(OC)c1	ZINC000408712263	1066555110	/nfs/dbraw/zinc/55/51/10/1066555110.db2.gz	FAOLWYAEBWPFPN-LJQANCHMSA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1	ZINC000408712578	1066554582	/nfs/dbraw/zinc/55/45/82/1066554582.db2.gz	VPTNSCCYYIGVDV-IBGZPJMESA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1	ZINC000408712579	1066554635	/nfs/dbraw/zinc/55/46/35/1066554635.db2.gz	VPTNSCCYYIGVDV-LJQANCHMSA-N	-1	0	561.682	3.915	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1	ZINC000408713826	1066554026	/nfs/dbraw/zinc/55/40/26/1066554026.db2.gz	AAQHUBFYYWRICR-UHFFFAOYSA-N	-1	0	548.712	3.557	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	ZINC000408714007	1066553967	/nfs/dbraw/zinc/55/39/67/1066553967.db2.gz	GISRCNNLEYARPQ-HSZRJFAPSA-N	-1	0	570.674	3.680	40	0		KHABRM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1	ZINC000408714008	1066553931	/nfs/dbraw/zinc/55/39/31/1066553931.db2.gz	GISRCNNLEYARPQ-QHCPKHFHSA-N	-1	0	570.674	3.680	40	0		KHABRM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1C(=O)N1CCOCC1	ZINC000408714792	1066552722	/nfs/dbraw/zinc/55/27/22/1066552722.db2.gz	OLALAIJKBGKBMC-UHFFFAOYSA-N	-1	0	539.679	3.654	40	0		KHABRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1OC	ZINC000408714869	1066552743	/nfs/dbraw/zinc/55/27/43/1066552743.db2.gz	QZEMWSCFFSHOCZ-UHFFFAOYSA-N	-1	0	599.731	3.671	40	0		KHABRM
CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1C(=O)N1CCCC1	ZINC000408714885	1066553297	/nfs/dbraw/zinc/55/32/97/1066553297.db2.gz	RTIBIRXDJNVSJH-UHFFFAOYSA-N	-1	0	538.698	3.703	40	0		KHABRM
O=c1/c(=C/c2cc(Br)c([O-])c(Br)c2O)sc2nc3cc(Br)cnc3n12	ZINC000408720626	1066557959	/nfs/dbraw/zinc/55/79/59/1066557959.db2.gz	ANOQLOOEKPAMMS-MBXJOHMKSA-N	-1	0	548.010	3.551	40	0		KHABRM
O=c1/c(=C/c2cc(Br)cc(Br)c2[O-])sc2nc3cc(Br)cnc3n12	ZINC000408721548	1066557294	/nfs/dbraw/zinc/55/72/94/1066557294.db2.gz	SOWSETRLPBAHPV-FUQNDXKWSA-N	-1	0	532.011	3.845	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000408725726	1066556899	/nfs/dbraw/zinc/55/68/99/1066556899.db2.gz	JEGNJPRUODDQRS-IDQDRXHYSA-N	-1	0	685.334	3.888	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000408725728	1066556385	/nfs/dbraw/zinc/55/63/85/1066556385.db2.gz	JEGNJPRUODDQRS-KEBMYNNESA-N	-1	0	685.334	3.888	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1cccs1	ZINC000408725791	1066556261	/nfs/dbraw/zinc/55/62/61/1066556261.db2.gz	KHGULRJCVBIBSB-FVLHSZHDSA-N	-1	0	631.311	3.933	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000408725793	1066556297	/nfs/dbraw/zinc/55/62/97/1066556297.db2.gz	KHGULRJCVBIBSB-NQUDRAQSSA-N	-1	0	631.311	3.933	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000408726592	1066556233	/nfs/dbraw/zinc/55/62/33/1066556233.db2.gz	ORDACAYXTBAZPV-IDQDRXHYSA-N	-1	0	685.334	3.888	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000408726594	1066556414	/nfs/dbraw/zinc/55/64/14/1066556414.db2.gz	ORDACAYXTBAZPV-KEBMYNNESA-N	-1	0	685.334	3.888	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000408727019	1066555726	/nfs/dbraw/zinc/55/57/26/1066555726.db2.gz	PIIGCKBCKFOZAQ-DMGNWNAPSA-N	-1	0	669.291	3.600	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000408727029	1066555765	/nfs/dbraw/zinc/55/57/65/1066555765.db2.gz	PIIGCKBCKFOZAQ-UIHGZKEASA-N	-1	0	669.291	3.600	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000408727906	1066562153	/nfs/dbraw/zinc/56/21/53/1066562153.db2.gz	YLWBWFFVHYGSHV-BUDOKORBSA-N	-1	0	655.308	3.880	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000408727907	1066562236	/nfs/dbraw/zinc/56/22/36/1066562236.db2.gz	YLWBWFFVHYGSHV-OBXYEHHASA-N	-1	0	655.308	3.880	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000408728435	1066561601	/nfs/dbraw/zinc/56/16/01/1066561601.db2.gz	MHCKSBWAGRFPQZ-BUDOKORBSA-N	-1	0	655.308	3.880	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000408728436	1066561652	/nfs/dbraw/zinc/56/16/52/1066561652.db2.gz	MHCKSBWAGRFPQZ-OBXYEHHASA-N	-1	0	655.308	3.880	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000408728874	1066561767	/nfs/dbraw/zinc/56/17/67/1066561767.db2.gz	VVNZLKNLBSFTLX-GTENMVSRSA-N	-1	0	625.282	3.871	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000408728875	1066561679	/nfs/dbraw/zinc/56/16/79/1066561679.db2.gz	VVNZLKNLBSFTLX-OXRZLYTFSA-N	-1	0	625.282	3.871	40	0		KHABRM
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N[C@H]1c1ccc(OC)cc1	ZINC000408730692	1066560703	/nfs/dbraw/zinc/56/07/03/1066560703.db2.gz	HCDSFSGZTGKIHP-JYWRCUDFSA-N	-1	0	519.406	3.928	40	0		KHABRM
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N[C@@H]1c1ccc(OC)cc1	ZINC000408730693	1066560529	/nfs/dbraw/zinc/56/05/29/1066560529.db2.gz	HCDSFSGZTGKIHP-JZVSFUAJSA-N	-1	0	519.406	3.928	40	0		KHABRM
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N[C@@H]1c1ccc(O)c(OC)c1	ZINC000408732215	1066560179	/nfs/dbraw/zinc/56/01/79/1066560179.db2.gz	PNDKTYHQGJXZEI-BFHGZXLWSA-N	-1	0	535.405	3.634	40	0		KHABRM
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N[C@H]1c1ccc(O)c(OC)c1	ZINC000408732216	1066560303	/nfs/dbraw/zinc/56/03/03/1066560303.db2.gz	PNDKTYHQGJXZEI-FUJWGRRUSA-N	-1	0	535.405	3.634	40	0		KHABRM
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N[C@H]1c1ccc2c(c1)OCO2	ZINC000408733336	1066559212	/nfs/dbraw/zinc/55/92/12/1066559212.db2.gz	XPOIEWFFMIZZBV-FFMVHGEESA-N	-1	0	533.389	3.648	40	0		KHABRM
CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3cc(Cl)cc(Cl)c3[O-])sc2=N[C@@H]1c1ccc2c(c1)OCO2	ZINC000408733337	1066558990	/nfs/dbraw/zinc/55/89/90/1066558990.db2.gz	XPOIEWFFMIZZBV-RTXJXEIKSA-N	-1	0	533.389	3.648	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000408752995	1066566378	/nfs/dbraw/zinc/56/63/78/1066566378.db2.gz	NBNSDDIHESAYLK-VUZIPCMWSA-N	-1	0	692.700	3.976	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000408752997	1066566497	/nfs/dbraw/zinc/56/64/97/1066566497.db2.gz	NBNSDDIHESAYLK-YZIPPPLESA-N	-1	0	692.700	3.976	40	0		KHABRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408768741	1066573933	/nfs/dbraw/zinc/57/39/33/1066573933.db2.gz	IRVDKOXVXYWYER-PLMLNFJUSA-N	-1	0	510.353	3.917	40	0		KHABRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(I)c3)S2)cc1	ZINC000408768742	1066574001	/nfs/dbraw/zinc/57/40/01/1066574001.db2.gz	IRVDKOXVXYWYER-PSXSOWLISA-N	-1	0	510.353	3.917	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408772344	1066212116	/nfs/dbraw/zinc/21/21/16/1066212116.db2.gz	OGOXGCKTWLYHCG-DDYRAIOVSA-N	-1	0	690.272	3.852	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408772346	1066572682	/nfs/dbraw/zinc/57/26/82/1066572682.db2.gz	OGOXGCKTWLYHCG-WSDUQJHMSA-N	-1	0	690.272	3.852	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000408780442	1066213803	/nfs/dbraw/zinc/21/38/03/1066213803.db2.gz	YPCAJXMMHKUSRP-KCPLEYNQSA-N	-1	0	539.860	3.981	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000408780443	1066575488	/nfs/dbraw/zinc/57/54/88/1066575488.db2.gz	YPCAJXMMHKUSRP-XYMPBJBSSA-N	-1	0	539.860	3.981	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408783926	1066577608	/nfs/dbraw/zinc/57/76/08/1066577608.db2.gz	OSKHTMUGNYPBIX-IISPMBILSA-N	-1	0	507.370	3.950	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408783932	1066577563	/nfs/dbraw/zinc/57/75/63/1066577563.db2.gz	OSKHTMUGNYPBIX-VZZQTLFRSA-N	-1	0	507.370	3.950	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1	ZINC000408784262	1066577663	/nfs/dbraw/zinc/57/76/63/1066577663.db2.gz	PWXJUSZSSXWJMB-VLOXRPPESA-N	-1	0	520.588	3.818	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1cccs1	ZINC000408784264	1066577557	/nfs/dbraw/zinc/57/75/57/1066577557.db2.gz	PWXJUSZSSXWJMB-WLJFKGHSSA-N	-1	0	520.588	3.818	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408786017	1066577006	/nfs/dbraw/zinc/57/70/06/1066577006.db2.gz	FAVRKJWNMHTGFQ-IGSWSUAKSA-N	-1	0	532.549	3.896	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408786018	1066577244	/nfs/dbraw/zinc/57/72/44/1066577244.db2.gz	FAVRKJWNMHTGFQ-YMSBRDKKSA-N	-1	0	532.549	3.896	40	0		KHABRM
Cc1cc2nc3s/c(=C\c4cc(I)c(OCC(=O)[O-])c(I)c4)c(=O)n3c2cc1C	ZINC000408787371	1066579392	/nfs/dbraw/zinc/57/93/92/1066579392.db2.gz	YWAFGQJSYIIGDW-APSNUPSMSA-N	-1	0	632.217	3.746	40	0		KHABRM
COc1ccc(C)cc1NC1NC(=O)/C(=C/c2cc(I)c(OCC(=O)[O-])c(OC)c2)S1	ZINC000408802923	1066215127	/nfs/dbraw/zinc/21/51/27/1066215127.db2.gz	JFZXRCYHWGQYDK-UHFFFAOYSA-N	-1	0	555.370	3.843	40	0		KHABRM
COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(I)c1OCC(=O)[O-]	ZINC000408809561	1066582635	/nfs/dbraw/zinc/58/26/35/1066582635.db2.gz	HLFIJQFDBWKMIE-UHFFFAOYSA-N	-1	0	529.307	3.665	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408820894	1066584722	/nfs/dbraw/zinc/58/47/22/1066584722.db2.gz	AFTBPTIROYHSOW-CMYPOMNDSA-N	-1	0	605.894	3.986	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408820895	1066584662	/nfs/dbraw/zinc/58/46/62/1066584662.db2.gz	AFTBPTIROYHSOW-ZVYKEMNCSA-N	-1	0	605.894	3.986	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408821998	1066217114	/nfs/dbraw/zinc/21/71/14/1066217114.db2.gz	AYCADHJTPHSJFE-GXPYYPFNSA-N	-1	0	662.502	3.573	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408822001	1066217194	/nfs/dbraw/zinc/21/71/94/1066217194.db2.gz	AYCADHJTPHSJFE-QYAMMSNYSA-N	-1	0	662.502	3.573	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408824733	1066218258	/nfs/dbraw/zinc/21/82/58/1066218258.db2.gz	JECJQOOVGTWROM-GXPYYPFNSA-N	-1	0	571.051	3.622	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408824735	1066583095	/nfs/dbraw/zinc/58/30/95/1066583095.db2.gz	JECJQOOVGTWROM-QYAMMSNYSA-N	-1	0	571.051	3.622	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(I)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408825278	1066585614	/nfs/dbraw/zinc/58/56/14/1066585614.db2.gz	RURHSJARJBNJSY-NQDYMZAQSA-N	-1	0	662.502	3.654	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408825279	1066585515	/nfs/dbraw/zinc/58/55/15/1066585515.db2.gz	RURHSJARJBNJSY-RTOMEVGKSA-N	-1	0	662.502	3.654	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000408825407	1066586468	/nfs/dbraw/zinc/58/64/68/1066586468.db2.gz	AJGNZRHPXSSIPT-DGGPYNQQSA-N	-1	0	743.370	3.646	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000408825413	1066218395	/nfs/dbraw/zinc/21/83/95/1066218395.db2.gz	AJGNZRHPXSSIPT-XJAMQDAASA-N	-1	0	743.370	3.646	40	0		KHABRM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCC(=O)[O-])c(OC)c4)c(=O)n32)c1	ZINC000408825594	1066585572	/nfs/dbraw/zinc/58/55/72/1066585572.db2.gz	DYBTXSGKPXAMFN-CJIXEESDSA-N	-1	0	711.534	3.959	40	0		KHABRM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(OCC(=O)[O-])c(OC)c4)c(=O)n32)c1	ZINC000408825601	1066585495	/nfs/dbraw/zinc/58/54/95/1066585495.db2.gz	DYBTXSGKPXAMFN-ZDZYTSRMSA-N	-1	0	711.534	3.959	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408825697	1066585556	/nfs/dbraw/zinc/58/55/56/1066585556.db2.gz	FLZIZKRTUWRRJD-FCYPAOMHSA-N	-1	0	539.613	3.971	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408825699	1066218372	/nfs/dbraw/zinc/21/83/72/1066218372.db2.gz	FLZIZKRTUWRRJD-KDSDTBODSA-N	-1	0	539.613	3.971	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000408825736	1066218448	/nfs/dbraw/zinc/21/84/48/1066218448.db2.gz	FJVXWSNFSHUFHF-HZHYMEEXSA-N	-1	0	540.597	3.642	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000408825739	1066585956	/nfs/dbraw/zinc/58/59/56/1066585956.db2.gz	FJVXWSNFSHUFHF-VFHYMGCCSA-N	-1	0	540.597	3.642	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408825969	1066586071	/nfs/dbraw/zinc/58/60/71/1066586071.db2.gz	KGDMTPDFEHPDSJ-BGDLGKLSSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408825972	1066217092	/nfs/dbraw/zinc/21/70/92/1066217092.db2.gz	KGDMTPDFEHPDSJ-LFDDYCMJSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408825974	1066586004	/nfs/dbraw/zinc/58/60/04/1066586004.db2.gz	KGDMTPDFEHPDSJ-XCNSGZPQSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408825977	1066586097	/nfs/dbraw/zinc/58/60/97/1066586097.db2.gz	KGDMTPDFEHPDSJ-YEODQUBPSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000408826024	1066585906	/nfs/dbraw/zinc/58/59/06/1066585906.db2.gz	CDBDACYYXWTWFU-DGGPYNQQSA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000408826026	1066217807	/nfs/dbraw/zinc/21/78/07/1066217807.db2.gz	CDBDACYYXWTWFU-XJAMQDAASA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000408826332	1066586026	/nfs/dbraw/zinc/58/60/26/1066586026.db2.gz	GGTRQQKUKUGURO-MNGMOJQWSA-N	-1	0	577.442	3.577	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000408826335	1066586119	/nfs/dbraw/zinc/58/61/19/1066586119.db2.gz	GGTRQQKUKUGURO-RSCAPRFBSA-N	-1	0	577.442	3.577	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	ZINC000408826440	1066217823	/nfs/dbraw/zinc/21/78/23/1066217823.db2.gz	GNXRMDDBPQGNSS-BDPRQDHOSA-N	-1	0	510.571	3.634	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	ZINC000408826445	1066585929	/nfs/dbraw/zinc/58/59/29/1066585929.db2.gz	GNXRMDDBPQGNSS-YPKVGQCMSA-N	-1	0	510.571	3.634	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1	ZINC000408826485	1066585970	/nfs/dbraw/zinc/58/59/70/1066585970.db2.gz	DNQLYLLQNVQSGS-IZZVBFKTSA-N	-1	0	584.650	3.798	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	ZINC000408826492	1066586041	/nfs/dbraw/zinc/58/60/41/1066586041.db2.gz	DNQLYLLQNVQSGS-RJQPNXBESA-N	-1	0	584.650	3.798	40	0		KHABRM
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)cc1	ZINC000408827326	1066587437	/nfs/dbraw/zinc/58/74/37/1066587437.db2.gz	IVOCKPHLLSDUFM-HWMPQDOQSA-N	-1	0	591.469	3.966	40	0		KHABRM
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)cc1	ZINC000408827331	1066587346	/nfs/dbraw/zinc/58/73/46/1066587346.db2.gz	IVOCKPHLLSDUFM-WNBZBHRJSA-N	-1	0	591.469	3.966	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000408827546	1066591320	/nfs/dbraw/zinc/59/13/20/1066591320.db2.gz	KHPDOWRKHKDQSZ-DQARITGZSA-N	-1	0	598.633	3.804	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000408827548	1066591301	/nfs/dbraw/zinc/59/13/01/1066591301.db2.gz	KHPDOWRKHKDQSZ-YRSDHNRQSA-N	-1	0	598.633	3.804	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	ZINC000408828263	1066217619	/nfs/dbraw/zinc/21/76/19/1066217619.db2.gz	JIDJZJBTHBAYJP-HVQRGMKJSA-N	-1	0	516.600	3.695	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	ZINC000408828267	1066217635	/nfs/dbraw/zinc/21/76/35/1066217635.db2.gz	JIDJZJBTHBAYJP-WNPPMXKSSA-N	-1	0	516.600	3.695	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000408828407	1066590874	/nfs/dbraw/zinc/59/08/74/1066590874.db2.gz	MHHWVOMLRMATGQ-MZANGIHLSA-N	-1	0	570.623	3.651	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000408828410	1066590858	/nfs/dbraw/zinc/59/08/58/1066590858.db2.gz	MHHWVOMLRMATGQ-QFDNUGPTSA-N	-1	0	570.623	3.651	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408828846	1066218351	/nfs/dbraw/zinc/21/83/51/1066218351.db2.gz	OCOWPLAYUQJALQ-GXPYYPFNSA-N	-1	0	615.502	3.731	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408828848	1066590813	/nfs/dbraw/zinc/59/08/13/1066590813.db2.gz	OCOWPLAYUQJALQ-QYAMMSNYSA-N	-1	0	615.502	3.731	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408828849	1066590886	/nfs/dbraw/zinc/59/08/86/1066590886.db2.gz	JRGTZGYVGPZMAV-FBRKSOCZSA-N	-1	0	569.639	3.736	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408828853	1066590863	/nfs/dbraw/zinc/59/08/63/1066590863.db2.gz	JRGTZGYVGPZMAV-ZPVURNRZSA-N	-1	0	569.639	3.736	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000408828949	1066590881	/nfs/dbraw/zinc/59/08/81/1066590881.db2.gz	NKJJCVJSQHDORB-PERAKIGCSA-N	-1	0	773.396	3.655	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000408828953	1066218269	/nfs/dbraw/zinc/21/82/69/1066218269.db2.gz	NKJJCVJSQHDORB-YSPVFMAKSA-N	-1	0	773.396	3.655	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408829069	1066218330	/nfs/dbraw/zinc/21/83/30/1066218330.db2.gz	NVQATQDKDDHWEA-KROVIPFCSA-N	-1	0	558.587	3.538	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408829073	1066218386	/nfs/dbraw/zinc/21/83/86/1066218386.db2.gz	NVQATQDKDDHWEA-ZIPXEUHISA-N	-1	0	558.587	3.538	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000408829099	1066218930	/nfs/dbraw/zinc/21/89/30/1066218930.db2.gz	NTVXGLLCUKUFAD-AOLPSBPOSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000408829103	1066590423	/nfs/dbraw/zinc/59/04/23/1066590423.db2.gz	NTVXGLLCUKUFAD-QDNAUZDWSA-N	-1	0	615.502	3.813	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000408829148	1066590545	/nfs/dbraw/zinc/59/05/45/1066590545.db2.gz	OLKSLIAWXVFCTE-FBHQFGEZSA-N	-1	0	501.589	3.634	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000408829158	1066590453	/nfs/dbraw/zinc/59/04/53/1066590453.db2.gz	OLKSLIAWXVFCTE-PZHBDVNGSA-N	-1	0	501.589	3.634	40	0		KHABRM
Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408829192	1066590418	/nfs/dbraw/zinc/59/04/18/1066590418.db2.gz	LAQMGBALWRHWQQ-MZANGIHLSA-N	-1	0	539.613	3.646	40	0		KHABRM
Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408829195	1066590373	/nfs/dbraw/zinc/59/03/73/1066590373.db2.gz	LAQMGBALWRHWQQ-QFDNUGPTSA-N	-1	0	539.613	3.646	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000408829487	1066590357	/nfs/dbraw/zinc/59/03/57/1066590357.db2.gz	PMZNVVCWWIFSGA-BQKWAYIGSA-N	-1	0	528.586	3.658	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000408829522	1066218868	/nfs/dbraw/zinc/21/88/68/1066218868.db2.gz	PMZNVVCWWIFSGA-GMPUOFRTSA-N	-1	0	528.586	3.658	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408829765	1066589959	/nfs/dbraw/zinc/58/99/59/1066589959.db2.gz	OTJIGWIUWSACAR-CMYPOMNDSA-N	-1	0	744.345	3.779	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408829769	1066590070	/nfs/dbraw/zinc/59/00/70/1066590070.db2.gz	OTJIGWIUWSACAR-ZVYKEMNCSA-N	-1	0	744.345	3.779	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408830240	1066218946	/nfs/dbraw/zinc/21/89/46/1066218946.db2.gz	OZCBYFCGNCEEOM-NQDYMZAQSA-N	-1	0	615.502	3.811	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408830241	1066587049	/nfs/dbraw/zinc/58/70/49/1066587049.db2.gz	OZCBYFCGNCEEOM-RTOMEVGKSA-N	-1	0	615.502	3.811	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000408830674	1066218876	/nfs/dbraw/zinc/21/88/76/1066218876.db2.gz	NKXASVDAYSTKSS-MNGMOJQWSA-N	-1	0	668.893	3.528	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000408830687	1066589966	/nfs/dbraw/zinc/58/99/66/1066589966.db2.gz	NKXASVDAYSTKSS-RSCAPRFBSA-N	-1	0	668.893	3.528	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000408830821	1066589353	/nfs/dbraw/zinc/58/93/53/1066589353.db2.gz	OKXHSEBOBLLLGJ-UIFFJVJYSA-N	-1	0	740.528	3.741	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000408830830	1066589464	/nfs/dbraw/zinc/58/94/64/1066589464.db2.gz	OKXHSEBOBLLLGJ-YCLJBNKMSA-N	-1	0	740.528	3.741	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408831044	1066589436	/nfs/dbraw/zinc/58/94/36/1066589436.db2.gz	UVVZGXQJWDJXCK-JJYYRRLASA-N	-1	0	565.406	3.708	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408831047	1066589528	/nfs/dbraw/zinc/58/95/28/1066589528.db2.gz	UVVZGXQJWDJXCK-YJXRAILPSA-N	-1	0	565.406	3.708	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	ZINC000408831465	1066218777	/nfs/dbraw/zinc/21/87/77/1066218777.db2.gz	OAPPZYOZDNWAHE-DGGPYNQQSA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	ZINC000408831469	1066589565	/nfs/dbraw/zinc/58/95/65/1066589565.db2.gz	OAPPZYOZDNWAHE-XJAMQDAASA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000408831598	1066588946	/nfs/dbraw/zinc/58/89/46/1066588946.db2.gz	UPKXXOHBCOEVFX-MNGMOJQWSA-N	-1	0	577.442	3.577	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000408831603	1066588985	/nfs/dbraw/zinc/58/89/85/1066588985.db2.gz	UPKXXOHBCOEVFX-RSCAPRFBSA-N	-1	0	577.442	3.577	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000408831772	1066218808	/nfs/dbraw/zinc/21/88/08/1066218808.db2.gz	RYBMNUZDJABURW-AOLPSBPOSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000408831775	1066588883	/nfs/dbraw/zinc/58/88/83/1066588883.db2.gz	RYBMNUZDJABURW-QDNAUZDWSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000408832993	1066588955	/nfs/dbraw/zinc/58/89/55/1066588955.db2.gz	YQYIQCSAQMBDTF-UPWSPCOFSA-N	-1	0	598.633	3.804	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000408832996	1066589094	/nfs/dbraw/zinc/58/90/94/1066589094.db2.gz	YQYIQCSAQMBDTF-ZJTZAHLKSA-N	-1	0	598.633	3.804	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408833234	1066588533	/nfs/dbraw/zinc/58/85/33/1066588533.db2.gz	SFPLQUBXJXJNKA-GLSAMTQTSA-N	-1	0	692.528	3.664	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408833235	1066588331	/nfs/dbraw/zinc/58/83/31/1066588331.db2.gz	SFPLQUBXJXJNKA-WDONWYDGSA-N	-1	0	692.528	3.664	40	0		KHABRM
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000408833256	1066588380	/nfs/dbraw/zinc/58/83/80/1066588380.db2.gz	XFAZZBQSJNSVIJ-GLISRPLSSA-N	-1	0	612.582	3.966	40	0		KHABRM
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000408833258	1066588395	/nfs/dbraw/zinc/58/83/95/1066588395.db2.gz	XFAZZBQSJNSVIJ-TYYSXUNWSA-N	-1	0	612.582	3.966	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408833416	1066588491	/nfs/dbraw/zinc/58/84/91/1066588491.db2.gz	KAGPYYGQRKQYLU-CMYPOMNDSA-N	-1	0	697.345	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408833417	1066219543	/nfs/dbraw/zinc/21/95/43/1066219543.db2.gz	KAGPYYGQRKQYLU-ZVYKEMNCSA-N	-1	0	697.345	3.937	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408836676	1066587452	/nfs/dbraw/zinc/58/74/52/1066587452.db2.gz	UFSGXWSRZCZOAM-CMYPOMNDSA-N	-1	0	561.443	3.877	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408836677	1066587490	/nfs/dbraw/zinc/58/74/90/1066587490.db2.gz	UFSGXWSRZCZOAM-ZVYKEMNCSA-N	-1	0	561.443	3.877	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000408837395	1066593197	/nfs/dbraw/zinc/59/31/97/1066593197.db2.gz	DSGJKVNTFZBGBH-DLBLZJNESA-N	-1	0	513.550	3.711	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000408837396	1066593248	/nfs/dbraw/zinc/59/32/48/1066593248.db2.gz	DSGJKVNTFZBGBH-FCKOQQNDSA-N	-1	0	513.550	3.711	40	0		KHABRM
Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1	ZINC000408837510	1066593259	/nfs/dbraw/zinc/59/32/59/1066593259.db2.gz	HMBSWGSHMQPIGO-MZANGIHLSA-N	-1	0	539.613	3.646	40	0		KHABRM
Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc(OCC(=O)[O-])c4)c(=O)n32)cc1	ZINC000408837511	1066593094	/nfs/dbraw/zinc/59/30/94/1066593094.db2.gz	HMBSWGSHMQPIGO-QFDNUGPTSA-N	-1	0	539.613	3.646	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408837788	1066593078	/nfs/dbraw/zinc/59/30/78/1066593078.db2.gz	NPYGYPFHOLYOBP-BHSBJAHRSA-N	-1	0	668.531	3.717	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408837789	1066219555	/nfs/dbraw/zinc/21/95/55/1066219555.db2.gz	NPYGYPFHOLYOBP-LPRAYXGFSA-N	-1	0	668.531	3.717	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000408838171	1066592721	/nfs/dbraw/zinc/59/27/21/1066592721.db2.gz	SFVAYCNGAZSARL-IBYCJETLSA-N	-1	0	560.031	3.991	40	0		KHABRM
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000408838173	1066220186	/nfs/dbraw/zinc/22/01/86/1066220186.db2.gz	SFVAYCNGAZSARL-OFCKJYIJSA-N	-1	0	560.031	3.991	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000408838449	1066592679	/nfs/dbraw/zinc/59/26/79/1066592679.db2.gz	WLAISXDUNGYBHA-AOLPSBPOSA-N	-1	0	676.529	3.998	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000408838451	1066592782	/nfs/dbraw/zinc/59/27/82/1066592782.db2.gz	WLAISXDUNGYBHA-QDNAUZDWSA-N	-1	0	676.529	3.998	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000408838738	1066592730	/nfs/dbraw/zinc/59/27/30/1066592730.db2.gz	ZXPAZKQQNRJUMB-MTCPJELPSA-N	-1	0	680.542	3.597	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000408838739	1066592630	/nfs/dbraw/zinc/59/26/30/1066592630.db2.gz	ZXPAZKQQNRJUMB-SNXNUMJZSA-N	-1	0	680.542	3.597	40	0		KHABRM
Cc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408839532	1066592767	/nfs/dbraw/zinc/59/27/67/1066592767.db2.gz	AIFJYRQVPAFZJW-QKSFETHESA-N	-1	0	509.587	3.881	40	0		KHABRM
Cc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1	ZINC000408839535	1066592807	/nfs/dbraw/zinc/59/28/07/1066592807.db2.gz	AIFJYRQVPAFZJW-ZDQFFALBSA-N	-1	0	509.587	3.881	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408839541	1066592713	/nfs/dbraw/zinc/59/27/13/1066592713.db2.gz	AKLVAGKFUUTJGL-KROVIPFCSA-N	-1	0	558.587	3.538	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408839543	1066592669	/nfs/dbraw/zinc/59/26/69/1066592669.db2.gz	AKLVAGKFUUTJGL-ZIPXEUHISA-N	-1	0	558.587	3.538	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408839634	1066220083	/nfs/dbraw/zinc/22/00/83/1066220083.db2.gz	BLQMPHZBFWOQDG-AOLPSBPOSA-N	-1	0	692.528	3.664	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408839635	1066592704	/nfs/dbraw/zinc/59/27/04/1066592704.db2.gz	BLQMPHZBFWOQDG-QDNAUZDWSA-N	-1	0	692.528	3.664	40	0		KHABRM
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000408840649	1066592307	/nfs/dbraw/zinc/59/23/07/1066592307.db2.gz	HOJYCHMDIQMZFJ-GLISRPLSSA-N	-1	0	612.582	3.966	40	0		KHABRM
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000408840654	1066592344	/nfs/dbraw/zinc/59/23/44/1066592344.db2.gz	HOJYCHMDIQMZFJ-TYYSXUNWSA-N	-1	0	612.582	3.966	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000408840694	1066592662	/nfs/dbraw/zinc/59/26/62/1066592662.db2.gz	HTKFCGZANCCWKE-FGSNJIQSSA-N	-1	0	540.597	3.642	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000408840696	1066592697	/nfs/dbraw/zinc/59/26/97/1066592697.db2.gz	HTKFCGZANCCWKE-LMTOTAIGSA-N	-1	0	540.597	3.642	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000408844095	1066220537	/nfs/dbraw/zinc/22/05/37/1066220537.db2.gz	VABFIYYAMCJZOU-GJISQHIDSA-N	-1	0	528.561	3.773	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000408844101	1066591715	/nfs/dbraw/zinc/59/17/15/1066591715.db2.gz	VABFIYYAMCJZOU-YVVITCHPSA-N	-1	0	528.561	3.773	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cccs1	ZINC000408844916	1066591727	/nfs/dbraw/zinc/59/17/27/1066591727.db2.gz	XFFICCYBSXWOKL-QHVUTBCBSA-N	-1	0	553.445	3.630	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000408844921	1066591860	/nfs/dbraw/zinc/59/18/60/1066591860.db2.gz	XFFICCYBSXWOKL-VPEZWSJASA-N	-1	0	553.445	3.630	40	0		KHABRM
COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCC(=O)[O-]	ZINC000408845005	1066591825	/nfs/dbraw/zinc/59/18/25/1066591825.db2.gz	XMIDYVDLKCSLBC-HWMPQDOQSA-N	-1	0	682.920	3.917	40	0		KHABRM
COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCC(=O)[O-]	ZINC000408845009	1066591866	/nfs/dbraw/zinc/59/18/66/1066591866.db2.gz	XMIDYVDLKCSLBC-WNBZBHRJSA-N	-1	0	682.920	3.917	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000408845617	1066591310	/nfs/dbraw/zinc/59/13/10/1066591310.db2.gz	YLSYMDVCMMXILP-BUDNTJSZSA-N	-1	0	628.659	3.813	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000408845624	1066220818	/nfs/dbraw/zinc/22/08/18/1066220818.db2.gz	YLSYMDVCMMXILP-FCVOFCDTSA-N	-1	0	628.659	3.813	40	0		KHABRM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)c1	ZINC000408846154	1066220659	/nfs/dbraw/zinc/22/06/59/1066220659.db2.gz	XRBGPNGOFWLJPN-GJFKPFFXSA-N	-1	0	525.586	3.581	40	0		KHABRM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)c1	ZINC000408846158	1066591413	/nfs/dbraw/zinc/59/14/13/1066591413.db2.gz	XRBGPNGOFWLJPN-LWUPDDLQSA-N	-1	0	525.586	3.581	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	ZINC000408853560	1066222447	/nfs/dbraw/zinc/22/24/47/1066222447.db2.gz	PNKOROKNXJNAKA-AOLPSBPOSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	ZINC000408853561	1066594691	/nfs/dbraw/zinc/59/46/91/1066594691.db2.gz	PNKOROKNXJNAKA-QDNAUZDWSA-N	-1	0	692.528	3.662	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000408865213	1066596311	/nfs/dbraw/zinc/59/63/11/1066596311.db2.gz	CABVSXIYWDYXSA-IUXPMGMMSA-N	-1	0	510.446	3.852	40	0		KHABRM
O=C([O-])COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1Br	ZINC000408868860	1066599060	/nfs/dbraw/zinc/59/90/60/1066599060.db2.gz	NULIEPNKXFZAAO-PXNMLYILSA-N	-1	0	509.309	3.727	40	0		KHABRM
COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000408869352	1066223838	/nfs/dbraw/zinc/22/38/38/1066223838.db2.gz	CBIKKLFGCCWFKU-IUXPMGMMSA-N	-1	0	510.446	3.852	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408870611	1066598965	/nfs/dbraw/zinc/59/89/65/1066598965.db2.gz	WDFRTIRZSAYOEE-RLFCKUQXSA-N	-1	0	722.554	3.672	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)sc2=N1	ZINC000408870618	1066598840	/nfs/dbraw/zinc/59/88/40/1066598840.db2.gz	WDFRTIRZSAYOEE-XQAWFANUSA-N	-1	0	722.554	3.672	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(Cl)c(C(=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000408870697	1066223676	/nfs/dbraw/zinc/22/36/76/1066223676.db2.gz	XCJCNVJFMPKUFF-OLROSQPISA-N	-1	0	532.405	3.825	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(Cl)c(C(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000408870702	1066599016	/nfs/dbraw/zinc/59/90/16/1066599016.db2.gz	XCJCNVJFMPKUFF-ZMUHTPIZSA-N	-1	0	532.405	3.825	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(C(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000408872012	1066599096	/nfs/dbraw/zinc/59/90/96/1066599096.db2.gz	JBMOPOQLIPDYGP-OLROSQPISA-N	-1	0	532.405	3.825	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3ccc(C(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000408872013	1066223943	/nfs/dbraw/zinc/22/39/43/1066223943.db2.gz	JBMOPOQLIPDYGP-ZMUHTPIZSA-N	-1	0	532.405	3.825	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)[O-])ccc3Cl)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000408872477	1066598704	/nfs/dbraw/zinc/59/87/04/1066598704.db2.gz	FDULJDJJKZOQKR-OLROSQPISA-N	-1	0	532.405	3.825	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cc(C(=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000408872478	1066598477	/nfs/dbraw/zinc/59/84/77/1066598477.db2.gz	FDULJDJJKZOQKR-ZMUHTPIZSA-N	-1	0	532.405	3.825	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000408873481	1066598491	/nfs/dbraw/zinc/59/84/91/1066598491.db2.gz	UQQJVAPLPLRALJ-IDUWFGFVSA-N	-1	0	539.335	3.735	40	0		KHABRM
O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O	ZINC000408874176	1066598626	/nfs/dbraw/zinc/59/86/26/1066598626.db2.gz	ZEPIWRPYHZTDGL-PXNMLYILSA-N	-1	0	509.309	3.727	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408875309	1066598184	/nfs/dbraw/zinc/59/81/84/1066598184.db2.gz	JGWGMDNHURLPSX-PXNMLYILSA-N	-1	0	539.335	3.735	40	0		KHABRM
COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000408876560	1066598099	/nfs/dbraw/zinc/59/80/99/1066598099.db2.gz	MGJGBQBWDFRCPQ-LSCVHKIXSA-N	-1	0	540.472	3.861	40	0		KHABRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408877056	1066598157	/nfs/dbraw/zinc/59/81/57/1066598157.db2.gz	PBBSVYXRUFZLJA-MFOYZWKCSA-N	-1	0	600.362	3.967	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408880221	1066190699	/nfs/dbraw/zinc/19/06/99/1066190699.db2.gz	FDXJCXSSPLMDOJ-PXNMLYILSA-N	-1	0	586.335	3.577	40	0		KHABRM
O=C([O-])COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1I	ZINC000408881886	1066224415	/nfs/dbraw/zinc/22/44/15/1066224415.db2.gz	OBEQVYXBIFARPL-PXNMLYILSA-N	-1	0	556.309	3.569	40	0		KHABRM
COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC(=O)[O-])C1=O	ZINC000408885334	1066224262	/nfs/dbraw/zinc/22/42/62/1066224262.db2.gz	ZMTOFXDSYDCOJD-IUXPMGMMSA-N	-1	0	510.446	3.852	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	ZINC000408908310	1066228321	/nfs/dbraw/zinc/22/83/21/1066228321.db2.gz	RJAJHPDHRCWSJZ-BLJGQIRFSA-N	-1	0	675.554	3.830	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	ZINC000408908313	1066605382	/nfs/dbraw/zinc/60/53/82/1066605382.db2.gz	RJAJHPDHRCWSJZ-MLJBDGAYSA-N	-1	0	675.554	3.830	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	ZINC000408909982	1066604743	/nfs/dbraw/zinc/60/47/43/1066604743.db2.gz	VLFXPAUIIKXFCA-BLJGQIRFSA-N	-1	0	722.554	3.672	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	ZINC000408909984	1066228366	/nfs/dbraw/zinc/22/83/66/1066228366.db2.gz	VLFXPAUIIKXFCA-MLJBDGAYSA-N	-1	0	722.554	3.672	40	0		KHABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCc1ccc(Br)cc1	ZINC000408919245	1066612628	/nfs/dbraw/zinc/61/26/28/1066612628.db2.gz	VFWROLNSYWALQX-VGOFMYFVSA-N	-1	0	529.128	3.822	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccccc1OC	ZINC000408919579	1066612663	/nfs/dbraw/zinc/61/26/63/1066612663.db2.gz	BFCIJZCACMJGHM-JYWRCUDFSA-N	-1	0	563.857	3.928	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccccc1OC	ZINC000408919581	1066230596	/nfs/dbraw/zinc/23/05/96/1066230596.db2.gz	BFCIJZCACMJGHM-JZVSFUAJSA-N	-1	0	563.857	3.928	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000408920037	1066612691	/nfs/dbraw/zinc/61/26/91/1066612691.db2.gz	GMMVNJIABDJIJF-WQLLJXGDSA-N	-1	0	715.360	3.897	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000408920038	1066612615	/nfs/dbraw/zinc/61/26/15/1066612615.db2.gz	GMMVNJIABDJIJF-YOGOOIESSA-N	-1	0	715.360	3.897	40	0		KHABRM
COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCC(=O)[O-]	ZINC000408920129	1066229058	/nfs/dbraw/zinc/22/90/58/1066229058.db2.gz	HLTPLMFEWCGSJC-MVQVQHCTSA-N	-1	0	694.569	3.985	40	0		KHABRM
COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc(I)c1OCC(=O)[O-]	ZINC000408920130	1066229407	/nfs/dbraw/zinc/22/94/07/1066229407.db2.gz	HLTPLMFEWCGSJC-NYIUWGNGSA-N	-1	0	694.569	3.985	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1	ZINC000408920595	1066191533	/nfs/dbraw/zinc/19/15/33/1066191533.db2.gz	JUHPQPYIDOFJEV-UHFFFAOYSA-N	-1	0	517.629	3.518	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1	ZINC000408920664	1066611542	/nfs/dbraw/zinc/61/15/42/1066611542.db2.gz	MDSWQVZMMMBSFQ-UHFFFAOYSA-N	-1	0	531.656	3.826	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000408921480	1066229378	/nfs/dbraw/zinc/22/93/78/1066229378.db2.gz	NIDCPGUOHYXJJR-JYWRCUDFSA-N	-1	0	655.308	3.880	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000408921487	1066229457	/nfs/dbraw/zinc/22/94/57/1066229457.db2.gz	NIDCPGUOHYXJJR-JZVSFUAJSA-N	-1	0	655.308	3.880	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)c1	ZINC000408921667	1066610664	/nfs/dbraw/zinc/61/06/64/1066610664.db2.gz	CADUPSVZUIPQSG-UHFFFAOYSA-N	-1	0	511.600	3.589	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1	ZINC000408922321	1066610723	/nfs/dbraw/zinc/61/07/23/1066610723.db2.gz	ZHXJOSGVCIIIQL-UHFFFAOYSA-N	-1	0	538.047	3.863	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1	ZINC000408924370	1066232196	/nfs/dbraw/zinc/23/21/96/1066232196.db2.gz	HOZIRWOBYHCOTH-UHFFFAOYSA-N	-1	0	531.656	3.826	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1	ZINC000408925026	1066609558	/nfs/dbraw/zinc/60/95/58/1066609558.db2.gz	RVBFYIUAKICEAC-UHFFFAOYSA-N	-1	0	538.047	3.863	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)cc2)c1	ZINC000408926677	1066608320	/nfs/dbraw/zinc/60/83/20/1066608320.db2.gz	VXBKBPMFRTYRLW-UHFFFAOYSA-N	-1	0	582.660	3.734	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	ZINC000408926951	1066608447	/nfs/dbraw/zinc/60/84/47/1066608447.db2.gz	RVBPYWIWYPLSTG-UHFFFAOYSA-N	-1	0	582.498	3.972	40	0		KHABRM
CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1)S(C)(=O)=O	ZINC000408927495	1066232725	/nfs/dbraw/zinc/23/27/25/1066232725.db2.gz	WCCBPQNPURYPAN-UHFFFAOYSA-N	-1	0	547.655	3.608	40	0		KHABRM
O=C([O-])COc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1I	ZINC000408929033	1066613053	/nfs/dbraw/zinc/61/30/53/1066613053.db2.gz	PAMLYIVJQCPGIH-OVCLIPMQSA-N	-1	0	557.138	3.610	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408929360	1066233280	/nfs/dbraw/zinc/23/32/80/1066233280.db2.gz	XFOAORLSMJUPEQ-VIZOYTHASA-N	-1	0	587.164	3.619	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c([O-])c(I)c4)c(=O)n32)cc1OCC	ZINC000408931936	1066618739	/nfs/dbraw/zinc/61/87/39/1066618739.db2.gz	AAELGVJZRBAPFC-PKZJLGKPSA-N	-1	0	732.334	3.730	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(I)c([O-])c(I)c4)c(=O)n32)cc1OCC	ZINC000408931938	1066233379	/nfs/dbraw/zinc/23/33/79/1066233379.db2.gz	AAELGVJZRBAPFC-UYNZCYITSA-N	-1	0	732.334	3.730	40	0		KHABRM
O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2F)C1=O	ZINC000408932011	1066235783	/nfs/dbraw/zinc/23/57/83/1066235783.db2.gz	AUADZXUJYXQAAP-PXNMLYILSA-N	-1	0	509.309	3.727	40	0		KHABRM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000408932473	1066235740	/nfs/dbraw/zinc/23/57/40/1066235740.db2.gz	CFUCONRLWUUBBU-MFOYZWKCSA-N	-1	0	552.346	3.738	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408934067	1066615069	/nfs/dbraw/zinc/61/50/69/1066615069.db2.gz	LAYDOHHRGUVKJP-PXNMLYILSA-N	-1	0	539.335	3.735	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408934407	1066617561	/nfs/dbraw/zinc/61/75/61/1066617561.db2.gz	COOWYWSEVHFWBK-NQDYMZAQSA-N	-1	0	645.528	3.820	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408934408	1066233970	/nfs/dbraw/zinc/23/39/70/1066233970.db2.gz	COOWYWSEVHFWBK-RTOMEVGKSA-N	-1	0	645.528	3.820	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000408934544	1066235014	/nfs/dbraw/zinc/23/50/14/1066235014.db2.gz	LVQJPSUIEIUXCH-MFOYZWKCSA-N	-1	0	535.372	3.905	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	ZINC000408934815	1066616896	/nfs/dbraw/zinc/61/68/96/1066616896.db2.gz	DCCJHUSLXFSZBW-IABUVPNTSA-N	-1	0	722.726	3.985	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	ZINC000408934816	1066616869	/nfs/dbraw/zinc/61/68/69/1066616869.db2.gz	DCCJHUSLXFSZBW-OGHDXOPJSA-N	-1	0	722.726	3.985	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408934896	1066234964	/nfs/dbraw/zinc/23/49/64/1066234964.db2.gz	DGUGKVJZOGGKEY-NQDYMZAQSA-N	-1	0	601.077	3.711	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408934897	1066616904	/nfs/dbraw/zinc/61/69/04/1066616904.db2.gz	DGUGKVJZOGGKEY-RTOMEVGKSA-N	-1	0	601.077	3.711	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Br)c4[O-])c(=O)n32)cc1OCC	ZINC000408935249	1066234775	/nfs/dbraw/zinc/23/47/75/1066234775.db2.gz	NBNBODMERDDIMO-PKZJLGKPSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Br)c4[O-])c(=O)n32)cc1OCC	ZINC000408935251	1066616924	/nfs/dbraw/zinc/61/69/24/1066616924.db2.gz	NBNBODMERDDIMO-UYNZCYITSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c([O-])c(Br)c4)c(=O)n32)cc1OCC	ZINC000408935755	1066616332	/nfs/dbraw/zinc/61/63/32/1066616332.db2.gz	NOIKLCBLCBHPJN-PKZJLGKPSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c([O-])c(Br)c4)c(=O)n32)cc1OCC	ZINC000408935757	1066616298	/nfs/dbraw/zinc/61/62/98/1066616298.db2.gz	NOIKLCBLCBHPJN-UYNZCYITSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c([O-])c(Cl)c4)c(=O)n32)cc1OCC	ZINC000408936616	1066615565	/nfs/dbraw/zinc/61/55/65/1066615565.db2.gz	PIHZCMYQFMTMDJ-PKZJLGKPSA-N	-1	0	549.432	3.828	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c([O-])c(Cl)c4)c(=O)n32)cc1OCC	ZINC000408936618	1066615636	/nfs/dbraw/zinc/61/56/36/1066615636.db2.gz	PIHZCMYQFMTMDJ-UYNZCYITSA-N	-1	0	549.432	3.828	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Br)c4)c(=O)n32)cc1OCC	ZINC000408936738	1066615719	/nfs/dbraw/zinc/61/57/19/1066615719.db2.gz	PRZAHBLDYBHRLN-WNOXZJQASA-N	-1	0	651.919	3.695	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Br)c4)c(=O)n32)cc1OCC	ZINC000408936742	1066615712	/nfs/dbraw/zinc/61/57/12/1066615712.db2.gz	PRZAHBLDYBHRLN-YVLHRROSSA-N	-1	0	651.919	3.695	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000408937326	1066236970	/nfs/dbraw/zinc/23/69/70/1066236970.db2.gz	QJCLVOPBHOMTHB-PXNMLYILSA-N	-1	0	556.740	3.900	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n32)cc1OCC	ZINC000408937372	1066626878	/nfs/dbraw/zinc/62/68/78/1066626878.db2.gz	QLSOQBUSDZMKLO-HFMVAQMMSA-N	-1	0	574.611	3.774	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n32)cc1OCC	ZINC000408937375	1066626835	/nfs/dbraw/zinc/62/68/35/1066626835.db2.gz	QLSOQBUSDZMKLO-OMXAIKKXSA-N	-1	0	574.611	3.774	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC(=O)[O-])cc3Br)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408938384	1066236816	/nfs/dbraw/zinc/23/68/16/1066236816.db2.gz	LSNQDAQKGOXZTQ-KGMZJGMTSA-N	-1	0	645.528	3.820	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCC(=O)[O-])cc3Br)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408938387	1066626362	/nfs/dbraw/zinc/62/63/62/1066626362.db2.gz	LSNQDAQKGOXZTQ-SDICAMPMSA-N	-1	0	645.528	3.820	40	0		KHABRM
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n21	ZINC000408938482	1066626394	/nfs/dbraw/zinc/62/63/94/1066626394.db2.gz	ANKPJRINAYWAMR-IYMWYRQMSA-N	-1	0	571.449	3.656	40	0		KHABRM
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n21	ZINC000408938484	1066237617	/nfs/dbraw/zinc/23/76/17/1066237617.db2.gz	ANKPJRINAYWAMR-VMOHIOPYSA-N	-1	0	571.449	3.656	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)cc1OCC	ZINC000408940619	1066236178	/nfs/dbraw/zinc/23/61/78/1066236178.db2.gz	VEFBFUCTSTZOIG-WNOXZJQASA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)c(OCC(=O)[O-])c(Cl)c4)c(=O)n32)cc1OCC	ZINC000408940623	1066624227	/nfs/dbraw/zinc/62/42/27/1066624227.db2.gz	VEFBFUCTSTZOIG-YVLHRROSSA-N	-1	0	607.468	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408942856	1066238172	/nfs/dbraw/zinc/23/81/72/1066238172.db2.gz	RVJZHNZFUSJOQP-NQDYMZAQSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408942859	1066238428	/nfs/dbraw/zinc/23/84/28/1066238428.db2.gz	RVJZHNZFUSJOQP-RTOMEVGKSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)[O-])c(Br)c4)c(=O)n32)cc1OCC	ZINC000408943012	1066238403	/nfs/dbraw/zinc/23/84/03/1066238403.db2.gz	XTIWLFBDHQMYAU-WNOXZJQASA-N	-1	0	696.370	3.804	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)[O-])c(Br)c4)c(=O)n32)cc1OCC	ZINC000408943015	1066622589	/nfs/dbraw/zinc/62/25/89/1066622589.db2.gz	XTIWLFBDHQMYAU-YVLHRROSSA-N	-1	0	696.370	3.804	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5)o4)c(=O)n32)cc1OCC	ZINC000408943121	1066622506	/nfs/dbraw/zinc/62/25/06/1066622506.db2.gz	YAVFAIFULKMRKJ-MJRUJHQZSA-N	-1	0	574.611	3.774	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5)o4)c(=O)n32)cc1OCC	ZINC000408943124	1066621890	/nfs/dbraw/zinc/62/18/90/1066621890.db2.gz	YAVFAIFULKMRKJ-MLGNGQMDSA-N	-1	0	574.611	3.774	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Cl)c4[O-])c(=O)n32)cc1OCC	ZINC000408943754	1066621971	/nfs/dbraw/zinc/62/19/71/1066621971.db2.gz	YUTRRBIIIPBFHB-FSBBIFGZSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)cc(Cl)c4[O-])c(=O)n32)cc1OCC	ZINC000408943757	1066621901	/nfs/dbraw/zinc/62/19/01/1066621901.db2.gz	YUTRRBIIIPBFHB-QWTUVSAPSA-N	-1	0	593.883	3.937	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Cl)c4[O-])c(=O)n32)cc1OCC	ZINC000408943922	1066239068	/nfs/dbraw/zinc/23/90/68/1066239068.db2.gz	ZQMBUESPXTVAES-PKZJLGKPSA-N	-1	0	549.432	3.828	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Cl)cc(Cl)c4[O-])c(=O)n32)cc1OCC	ZINC000408943924	1066238816	/nfs/dbraw/zinc/23/88/16/1066238816.db2.gz	ZQMBUESPXTVAES-UYNZCYITSA-N	-1	0	549.432	3.828	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)[O-])c(I)c4)c(=O)n32)cc1OCC	ZINC000408943951	1066619371	/nfs/dbraw/zinc/61/93/71/1066619371.db2.gz	ZTVOWJJPJNTZDX-WNOXZJQASA-N	-1	0	743.370	3.646	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c(OCC(=O)[O-])c(I)c4)c(=O)n32)cc1OCC	ZINC000408943953	1066619340	/nfs/dbraw/zinc/61/93/40/1066619340.db2.gz	ZTVOWJJPJNTZDX-YVLHRROSSA-N	-1	0	743.370	3.646	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c([O-])c(I)c4)c(=O)n32)cc1OCC	ZINC000408943965	1066619275	/nfs/dbraw/zinc/61/92/75/1066619275.db2.gz	ZVALZFTWABVAFZ-PKZJLGKPSA-N	-1	0	685.334	3.888	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(Br)c([O-])c(I)c4)c(=O)n32)cc1OCC	ZINC000408943967	1066619455	/nfs/dbraw/zinc/61/94/55/1066619455.db2.gz	ZVALZFTWABVAFZ-UYNZCYITSA-N	-1	0	685.334	3.888	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)cc1OCC	ZINC000408946672	1066239724	/nfs/dbraw/zinc/23/97/24/1066239724.db2.gz	PJZZVUNDGXIELM-MJRUJHQZSA-N	-1	0	574.611	3.774	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)cc1OCC	ZINC000408946675	1066239761	/nfs/dbraw/zinc/23/97/61/1066239761.db2.gz	PJZZVUNDGXIELM-MLGNGQMDSA-N	-1	0	574.611	3.774	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	ZINC000408956147	1066242976	/nfs/dbraw/zinc/24/29/76/1066242976.db2.gz	YVGAAYWBJQQQSY-BHHPWIFDSA-N	-1	0	597.860	3.840	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	ZINC000408956148	1066242909	/nfs/dbraw/zinc/24/29/09/1066242909.db2.gz	YVGAAYWBJQQQSY-DDLKFKMNSA-N	-1	0	597.860	3.840	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000408959870	1066640306	/nfs/dbraw/zinc/64/03/06/1066640306.db2.gz	HFSKEXLSAYYGFK-HMAPJEAMSA-N	-1	0	501.495	3.504	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408963942	1066639323	/nfs/dbraw/zinc/63/93/23/1066639323.db2.gz	ATJICPNTHYDTIY-BKUYFWCQSA-N	-1	0	501.495	3.504	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965033	1066639475	/nfs/dbraw/zinc/63/94/75/1066639475.db2.gz	FWQPQXJOVLOFKR-XKZIYDEJSA-N	-1	0	515.522	3.812	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965913	1066638729	/nfs/dbraw/zinc/63/87/29/1066638729.db2.gz	JVMCOJGGDGVJRX-MTJSOVHGSA-N	-1	0	519.485	3.643	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408965955	1066638666	/nfs/dbraw/zinc/63/86/66/1066638666.db2.gz	KKJFMKLWZLVMJV-XKZIYDEJSA-N	-1	0	515.522	3.812	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408966546	1066638764	/nfs/dbraw/zinc/63/87/64/1066638764.db2.gz	NDORABXTZHYYND-MTJSOVHGSA-N	-1	0	519.485	3.643	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1	ZINC000408967119	1066638684	/nfs/dbraw/zinc/63/86/84/1066638684.db2.gz	PVWIWRPQNBSZQO-XKZIYDEJSA-N	-1	0	531.521	3.512	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000408968510	1066646451	/nfs/dbraw/zinc/64/64/51/1066646451.db2.gz	ZWNJUWPQORRNIU-XKZIYDEJSA-N	-1	0	515.522	3.812	40	0		KHABRM
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCC(=O)[O-]	ZINC000408977398	1066654714	/nfs/dbraw/zinc/65/47/14/1066654714.db2.gz	IRJGPDCJAUAULU-DRBQYUEGSA-N	-1	0	629.691	3.753	40	0		KHABRM
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)ccc1OCC(=O)[O-]	ZINC000408977400	1066244945	/nfs/dbraw/zinc/24/49/45/1066244945.db2.gz	IRJGPDCJAUAULU-ZSWKDXAVSA-N	-1	0	629.691	3.753	40	0		KHABRM
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)c(OC)c1	ZINC000408981069	1066652239	/nfs/dbraw/zinc/65/22/39/1066652239.db2.gz	YUFRLBCXWDYWSD-LMSRTUJASA-N	-1	0	555.612	3.589	40	0		KHABRM
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)c(OC)c1	ZINC000408981070	1066652891	/nfs/dbraw/zinc/65/28/91/1066652891.db2.gz	YUFRLBCXWDYWSD-RISWYLRJSA-N	-1	0	555.612	3.589	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(Cl)c1Cl	ZINC000408983846	1066650787	/nfs/dbraw/zinc/65/07/87/1066650787.db2.gz	DNARLCSDWMNFPG-IFNMQTAJSA-N	-1	0	547.416	3.569	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(Cl)c1Cl	ZINC000408983848	1066650826	/nfs/dbraw/zinc/65/08/26/1066650826.db2.gz	DNARLCSDWMNFPG-OAIBDCNXSA-N	-1	0	547.416	3.569	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1ccccc1	ZINC000408986039	1066648593	/nfs/dbraw/zinc/64/85/93/1066648593.db2.gz	OOHUCDLJNAAHET-IZZVBFKTSA-N	-1	0	584.650	3.798	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1ccccc1	ZINC000408986041	1066648547	/nfs/dbraw/zinc/64/85/47/1066648547.db2.gz	OOHUCDLJNAAHET-RJQPNXBESA-N	-1	0	584.650	3.798	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccc(Cl)c1Cl	ZINC000408986379	1066648458	/nfs/dbraw/zinc/64/84/58/1066648458.db2.gz	QDXFCSHFZBUEOT-CGXXIYPPSA-N	-1	0	577.442	3.577	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccc(Cl)c1Cl	ZINC000408986381	1066246951	/nfs/dbraw/zinc/24/69/51/1066246951.db2.gz	QDXFCSHFZBUEOT-NSYTUHEQSA-N	-1	0	577.442	3.577	40	0		KHABRM
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)ccc1C	ZINC000408986584	1066648653	/nfs/dbraw/zinc/64/86/53/1066648653.db2.gz	QTMDGBLTWJHUHH-FSFYKJEYSA-N	-1	0	569.639	3.654	40	0		KHABRM
COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])cc4)c(=O)n32)ccc1C	ZINC000408986585	1066246831	/nfs/dbraw/zinc/24/68/31/1066246831.db2.gz	QTMDGBLTWJHUHH-ZUCAMLDZSA-N	-1	0	569.639	3.654	40	0		KHABRM
COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])c(OC)c4)c(=O)n32)ccc1C	ZINC000408987826	1066658386	/nfs/dbraw/zinc/65/83/86/1066658386.db2.gz	YUTHFFGWQYRMFT-DLJDGCESSA-N	-1	0	599.665	3.663	40	0		KHABRM
COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])c(OC)c4)c(=O)n32)ccc1C	ZINC000408987827	1066658411	/nfs/dbraw/zinc/65/84/11/1066658411.db2.gz	YUTHFFGWQYRMFT-ZKEKZPBLSA-N	-1	0	599.665	3.663	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000408992614	1066655613	/nfs/dbraw/zinc/65/56/13/1066655613.db2.gz	APWPHPDARPJQQW-NFYDWNOTSA-N	-1	0	572.595	3.794	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000408992618	1066654799	/nfs/dbraw/zinc/65/47/99/1066654799.db2.gz	APWPHPDARPJQQW-ZFWDJNJRSA-N	-1	0	572.595	3.794	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000409000398	1066660883	/nfs/dbraw/zinc/66/08/83/1066660883.db2.gz	SVNLYHKQVSTVNH-NFYDWNOTSA-N	-1	0	572.595	3.794	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000409000402	1066660968	/nfs/dbraw/zinc/66/09/68/1066660968.db2.gz	SVNLYHKQVSTVNH-ZFWDJNJRSA-N	-1	0	572.595	3.794	40	0		KHABRM
O=C([O-])c1ccc(COc2c(I)cc(C=C3NC(=S)NC3=O)cc2I)cc1	ZINC000409002836	1066248981	/nfs/dbraw/zinc/24/89/81/1066248981.db2.gz	WQWSCCGIRHDZNI-VGOFMYFVSA-N	-1	0	606.179	3.518	40	0		KHABRM
O=C1N/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1Cc1ccc(F)cc1	ZINC000409009501	1066665156	/nfs/dbraw/zinc/66/51/56/1066665156.db2.gz	AOBKEFODZMHYJJ-VGOFMYFVSA-N	-1	0	564.092	3.833	40	0		KHABRM
O=C([O-])COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000409009538	1066250445	/nfs/dbraw/zinc/25/04/45/1066250445.db2.gz	AVYVDYGLZWRIPM-GIDUJCDVSA-N	-1	0	575.128	3.749	40	0		KHABRM
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n21	ZINC000409010560	1066250107	/nfs/dbraw/zinc/25/01/07/1066250107.db2.gz	BZHXKTQDALVCCI-ABBNRAPFSA-N	-1	0	618.664	3.790	40	0		KHABRM
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n21	ZINC000409010561	1066250409	/nfs/dbraw/zinc/25/04/09/1066250409.db2.gz	BZHXKTQDALVCCI-CSJROMOCSA-N	-1	0	618.664	3.790	40	0		KHABRM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409010918	1066664683	/nfs/dbraw/zinc/66/46/83/1066664683.db2.gz	DREMZHZLEGHHNU-OPYOOOJUSA-N	-1	0	584.182	3.505	40	0		KHABRM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409010920	1066664695	/nfs/dbraw/zinc/66/46/95/1066664695.db2.gz	DREMZHZLEGHHNU-UGZWPXFQSA-N	-1	0	584.182	3.505	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409012162	1066664017	/nfs/dbraw/zinc/66/40/17/1066664017.db2.gz	JBDGODUJRGADJA-LPYMAVHISA-N	-1	0	604.479	3.696	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1I	ZINC000409013622	1066251958	/nfs/dbraw/zinc/25/19/58/1066251958.db2.gz	NADVDNSWFANVIR-RIYZIHGNSA-N	-1	0	543.111	3.614	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1I	ZINC000409013673	1066663516	/nfs/dbraw/zinc/66/35/16/1066663516.db2.gz	NGCWQAFERVJLPE-XDHOZWIPSA-N	-1	0	686.322	3.902	40	0		KHABRM
O=C([O-])COc1c(Br)cc(I)cc1/C=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O	ZINC000409013818	1066662591	/nfs/dbraw/zinc/66/25/91/1066662591.db2.gz	VZPWFJBKHZOXLV-YBFXNURJSA-N	-1	0	686.322	3.902	40	0		KHABRM
O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1Br	ZINC000409014394	1066662685	/nfs/dbraw/zinc/66/26/85/1066662685.db2.gz	PKQRBDCKNGTGSR-XDHOZWIPSA-N	-1	0	594.871	3.951	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000409014799	1066662630	/nfs/dbraw/zinc/66/26/30/1066662630.db2.gz	KDAXXFHNKGUQRF-KKCNHZNWSA-N	-1	0	663.502	3.890	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000409014800	1066251698	/nfs/dbraw/zinc/25/16/98/1066251698.db2.gz	KDAXXFHNKGUQRF-WDFUUOLCSA-N	-1	0	663.502	3.890	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409014894	1066662652	/nfs/dbraw/zinc/66/26/52/1066662652.db2.gz	QPJAUSAAHBWYGA-KGENOOAVSA-N	-1	0	651.479	3.538	40	0		KHABRM
COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409015588	1066662168	/nfs/dbraw/zinc/66/21/68/1066662168.db2.gz	CNYJLPUQGCYBAY-IAQXYPRLSA-N	-1	0	579.078	3.839	40	0		KHABRM
COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409015592	1066662129	/nfs/dbraw/zinc/66/21/29/1066662129.db2.gz	CNYJLPUQGCYBAY-KCNAVOCSSA-N	-1	0	579.078	3.839	40	0		KHABRM
COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409015596	1066662149	/nfs/dbraw/zinc/66/21/49/1066662149.db2.gz	CNYJLPUQGCYBAY-LNEOCIKXSA-N	-1	0	579.078	3.839	40	0		KHABRM
COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409015601	1066662200	/nfs/dbraw/zinc/66/22/00/1066662200.db2.gz	CNYJLPUQGCYBAY-PEIDGHJYSA-N	-1	0	579.078	3.839	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1I	ZINC000409015964	1066662052	/nfs/dbraw/zinc/66/20/52/1066662052.db2.gz	SYKPNGHWTKMYOH-VIZOYTHASA-N	-1	0	575.128	3.749	40	0		KHABRM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)c1	ZINC000409016241	1066662182	/nfs/dbraw/zinc/66/21/82/1066662182.db2.gz	FTSXRTHANVVFIG-JGFZCMBDSA-N	-1	0	577.666	3.873	40	0		KHABRM
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)c1	ZINC000409016245	1066662065	/nfs/dbraw/zinc/66/20/65/1066662065.db2.gz	FTSXRTHANVVFIG-PJEDMOSUSA-N	-1	0	577.666	3.873	40	0		KHABRM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)c1	ZINC000409016249	1066662250	/nfs/dbraw/zinc/66/22/50/1066662250.db2.gz	FTSXRTHANVVFIG-TZDPMEOISA-N	-1	0	577.666	3.873	40	0		KHABRM
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)c1	ZINC000409016253	1066251900	/nfs/dbraw/zinc/25/19/00/1066251900.db2.gz	FTSXRTHANVVFIG-WYXFLIMSSA-N	-1	0	577.666	3.873	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccs1	ZINC000409016360	1066661436	/nfs/dbraw/zinc/66/14/36/1066661436.db2.gz	HKOVGTAZWHBVFM-BFCMTDHTSA-N	-1	0	568.680	3.988	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccs1	ZINC000409016362	1066661271	/nfs/dbraw/zinc/66/12/71/1066661271.db2.gz	HKOVGTAZWHBVFM-IUEJWZSQSA-N	-1	0	568.680	3.988	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccs1	ZINC000409016363	1066661377	/nfs/dbraw/zinc/66/13/77/1066661377.db2.gz	HKOVGTAZWHBVFM-QXOOTOSBSA-N	-1	0	568.680	3.988	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccs1	ZINC000409016365	1066662225	/nfs/dbraw/zinc/66/22/25/1066662225.db2.gz	HKOVGTAZWHBVFM-XRZUWUMUSA-N	-1	0	568.680	3.988	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000409016469	1066661298	/nfs/dbraw/zinc/66/12/98/1066661298.db2.gz	JJCPKFSNTXUEMB-AGIMELGASA-N	-1	0	603.516	3.746	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000409016472	1066661418	/nfs/dbraw/zinc/66/14/18/1066661418.db2.gz	JJCPKFSNTXUEMB-GAISBVLPSA-N	-1	0	603.516	3.746	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409016478	1066661427	/nfs/dbraw/zinc/66/14/27/1066661427.db2.gz	JLLKCVHFUNWVQB-WRQIZBEHSA-N	-1	0	629.485	3.533	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409016482	1066252587	/nfs/dbraw/zinc/25/25/87/1066252587.db2.gz	JLLKCVHFUNWVQB-YENNPUADSA-N	-1	0	629.485	3.533	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000409016817	1066661461	/nfs/dbraw/zinc/66/14/61/1066661461.db2.gz	ACIPNMFGVGJXKO-BQKOIMKZSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000409016821	1066252564	/nfs/dbraw/zinc/25/25/64/1066252564.db2.gz	ACIPNMFGVGJXKO-BXYCGAKUSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000409016823	1066661363	/nfs/dbraw/zinc/66/13/63/1066661363.db2.gz	ACIPNMFGVGJXKO-FUWYANJPSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000409016826	1066661398	/nfs/dbraw/zinc/66/13/98/1066661398.db2.gz	ACIPNMFGVGJXKO-LWYWAORZSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1	ZINC000409017240	1066666069	/nfs/dbraw/zinc/66/60/69/1066666069.db2.gz	LSKLFKBEWOWKNJ-RNXBIRPVSA-N	-1	0	562.651	3.926	40	0		KHABRM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409017245	1066665915	/nfs/dbraw/zinc/66/59/15/1066665915.db2.gz	YBDXKSDYVOFKQA-KEXZDQNZSA-N	-1	0	573.146	3.589	40	0		KHABRM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409017246	1066665989	/nfs/dbraw/zinc/66/59/89/1066665989.db2.gz	YBDXKSDYVOFKQA-PKTIUJEHSA-N	-1	0	573.146	3.589	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1	ZINC000409017249	1066666025	/nfs/dbraw/zinc/66/60/25/1066666025.db2.gz	LSKLFKBEWOWKNJ-TUIOBFTASA-N	-1	0	562.651	3.926	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccccc1	ZINC000409017253	1066251173	/nfs/dbraw/zinc/25/11/73/1066251173.db2.gz	LSKLFKBEWOWKNJ-UDXPDXITSA-N	-1	0	562.651	3.926	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccccc1	ZINC000409017255	1066665995	/nfs/dbraw/zinc/66/59/95/1066665995.db2.gz	LSKLFKBEWOWKNJ-VKAYTAPYSA-N	-1	0	562.651	3.926	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409017256	1066665966	/nfs/dbraw/zinc/66/59/66/1066665966.db2.gz	FLSJBBFOUWUTRI-KGENOOAVSA-N	-1	0	604.479	3.696	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	ZINC000409017676	1066250833	/nfs/dbraw/zinc/25/08/33/1066250833.db2.gz	GMTJVWKJOPEJAH-DGGPYNQQSA-N	-1	0	621.893	3.686	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	ZINC000409017679	1066672296	/nfs/dbraw/zinc/67/22/96/1066672296.db2.gz	GMTJVWKJOPEJAH-XJAMQDAASA-N	-1	0	621.893	3.686	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	ZINC000409017786	1066672130	/nfs/dbraw/zinc/67/21/30/1066672130.db2.gz	HNKYVGFTDCKVLU-DGGPYNQQSA-N	-1	0	666.344	3.795	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	ZINC000409017790	1066672270	/nfs/dbraw/zinc/67/22/70/1066672270.db2.gz	HNKYVGFTDCKVLU-XJAMQDAASA-N	-1	0	666.344	3.795	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409018841	1066672215	/nfs/dbraw/zinc/67/22/15/1066672215.db2.gz	VYHFDJZRGNBHKM-BCXCKNMESA-N	-1	0	558.660	3.578	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409018845	1066672250	/nfs/dbraw/zinc/67/22/50/1066672250.db2.gz	VYHFDJZRGNBHKM-BUCWHMHJSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409018848	1066672305	/nfs/dbraw/zinc/67/23/05/1066672305.db2.gz	VYHFDJZRGNBHKM-LJTHHDGTSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409018852	1066253351	/nfs/dbraw/zinc/25/33/51/1066253351.db2.gz	VYHFDJZRGNBHKM-UBEPTINJSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000409018869	1066672278	/nfs/dbraw/zinc/67/22/78/1066672278.db2.gz	WCMOOTOMXZBSCN-HJSZJZEISA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cccc(OC)c1	ZINC000409018872	1066672070	/nfs/dbraw/zinc/67/20/70/1066672070.db2.gz	WCMOOTOMXZBSCN-KMXMFRAOSA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000409018875	1066672117	/nfs/dbraw/zinc/67/21/17/1066672117.db2.gz	WCMOOTOMXZBSCN-QNDMGUKUSA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cccc(OC)c1	ZINC000409018879	1066253313	/nfs/dbraw/zinc/25/33/13/1066253313.db2.gz	WCMOOTOMXZBSCN-YKEIRAJFSA-N	-1	0	592.677	3.935	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409019082	1066671531	/nfs/dbraw/zinc/67/15/31/1066671531.db2.gz	PAIMLUDOCOHWAR-PCWLEDLOSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409019087	1066671360	/nfs/dbraw/zinc/67/13/60/1066671360.db2.gz	PAIMLUDOCOHWAR-PIUOLVKFSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409019091	1066671497	/nfs/dbraw/zinc/67/14/97/1066671497.db2.gz	PAIMLUDOCOHWAR-QLYMPJBHSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409019096	1066671561	/nfs/dbraw/zinc/67/15/61/1066671561.db2.gz	PAIMLUDOCOHWAR-YMSVCXJTSA-N	-1	0	558.660	3.578	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000409019137	1066671522	/nfs/dbraw/zinc/67/15/22/1066671522.db2.gz	PNOGUCKSKSGORI-WSLJZXJOSA-N	-1	0	546.674	3.511	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(SC)cc1	ZINC000409019142	1066671379	/nfs/dbraw/zinc/67/13/79/1066671379.db2.gz	PNOGUCKSKSGORI-YCVUBQNHSA-N	-1	0	546.674	3.511	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000409019147	1066671552	/nfs/dbraw/zinc/67/15/52/1066671552.db2.gz	PNOGUCKSKSGORI-ZEUVTLAWSA-N	-1	0	546.674	3.511	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(SC)cc1	ZINC000409019150	1066253110	/nfs/dbraw/zinc/25/31/10/1066253110.db2.gz	PNOGUCKSKSGORI-ZNOFGSDDSA-N	-1	0	546.674	3.511	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2	ZINC000409019205	1066671445	/nfs/dbraw/zinc/67/14/45/1066671445.db2.gz	QAHPVYXWUZDJCX-JBZIOCGGSA-N	-1	0	549.052	3.831	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2	ZINC000409019211	1066671472	/nfs/dbraw/zinc/67/14/72/1066671472.db2.gz	QAHPVYXWUZDJCX-KLLAKBQWSA-N	-1	0	549.052	3.831	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2	ZINC000409019214	1066671418	/nfs/dbraw/zinc/67/14/18/1066671418.db2.gz	QAHPVYXWUZDJCX-UYUXOBFHSA-N	-1	0	549.052	3.831	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N=2	ZINC000409019219	1066671400	/nfs/dbraw/zinc/67/14/00/1066671400.db2.gz	QAHPVYXWUZDJCX-VJKPHSSJSA-N	-1	0	549.052	3.831	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409019242	1066671439	/nfs/dbraw/zinc/67/14/39/1066671439.db2.gz	QEUKDODEBXOHOI-NQDYMZAQSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409019246	1066671348	/nfs/dbraw/zinc/67/13/48/1066671348.db2.gz	QEUKDODEBXOHOI-RTOMEVGKSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409019315	1066327597	/nfs/dbraw/zinc/32/75/97/1066327597.db2.gz	IQDXSMSIHCKWQN-HRRMIQFSSA-N	-1	0	584.182	3.505	40	0		KHABRM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409019319	1066327417	/nfs/dbraw/zinc/32/74/17/1066327417.db2.gz	IQDXSMSIHCKWQN-QOMRTYFESA-N	-1	0	584.182	3.505	40	0		KHABRM
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409021377	1066252336	/nfs/dbraw/zinc/25/23/36/1066252336.db2.gz	DYNPZAUKQYENBO-JSTAEBATSA-N	-1	0	560.701	3.899	40	0		KHABRM
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409021378	1066670154	/nfs/dbraw/zinc/67/01/54/1066670154.db2.gz	DYNPZAUKQYENBO-MFYGBTIRSA-N	-1	0	560.701	3.899	40	0		KHABRM
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409021379	1066670774	/nfs/dbraw/zinc/67/07/74/1066670774.db2.gz	DYNPZAUKQYENBO-SUJCMKCASA-N	-1	0	560.701	3.899	40	0		KHABRM
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409021380	1066670828	/nfs/dbraw/zinc/67/08/28/1066670828.db2.gz	DYNPZAUKQYENBO-YFJDVQBHSA-N	-1	0	560.701	3.899	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409021567	1066670149	/nfs/dbraw/zinc/67/01/49/1066670149.db2.gz	NUIQTPNKAVMLED-RLFCKUQXSA-N	-1	0	645.528	3.822	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409021568	1066670006	/nfs/dbraw/zinc/67/00/06/1066670006.db2.gz	NUIQTPNKAVMLED-XQAWFANUSA-N	-1	0	645.528	3.822	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409021795	1066670085	/nfs/dbraw/zinc/67/00/85/1066670085.db2.gz	YXAQBAZVKYLLSA-BLJGQIRFSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)sc2=N1	ZINC000409021796	1066670066	/nfs/dbraw/zinc/67/00/66/1066670066.db2.gz	YXAQBAZVKYLLSA-MLJBDGAYSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000409022212	1066252521	/nfs/dbraw/zinc/25/25/21/1066252521.db2.gz	JNLVDCZOMTZFIK-ARYGJZEMSA-N	-1	0	639.528	3.569	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000409022213	1066670052	/nfs/dbraw/zinc/67/00/52/1066670052.db2.gz	JNLVDCZOMTZFIK-DVRCALKUSA-N	-1	0	639.528	3.569	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000409022215	1066670125	/nfs/dbraw/zinc/67/01/25/1066670125.db2.gz	JNLVDCZOMTZFIK-PORPUEMFSA-N	-1	0	639.528	3.569	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000409022217	1066252458	/nfs/dbraw/zinc/25/24/58/1066252458.db2.gz	JNLVDCZOMTZFIK-XYLAXFDJSA-N	-1	0	639.528	3.569	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])c(Br)c4)c(=O)n32)cc1	ZINC000409022265	1066670136	/nfs/dbraw/zinc/67/01/36/1066670136.db2.gz	LSLSOLMWCLBLQA-AOLPSBPOSA-N	-1	0	615.502	3.811	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])c(Br)c4)c(=O)n32)cc1	ZINC000409022266	1066670169	/nfs/dbraw/zinc/67/01/69/1066670169.db2.gz	LSLSOLMWCLBLQA-QDNAUZDWSA-N	-1	0	615.502	3.811	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	ZINC000409022398	1066670115	/nfs/dbraw/zinc/67/01/15/1066670115.db2.gz	NAYYDEMRQZZXDX-LICXLWGISA-N	-1	0	666.344	3.795	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	ZINC000409022399	1066670073	/nfs/dbraw/zinc/67/00/73/1066670073.db2.gz	NAYYDEMRQZZXDX-RZYZHNGTSA-N	-1	0	666.344	3.795	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022688	1066252362	/nfs/dbraw/zinc/25/23/62/1066252362.db2.gz	PJQRZZKIKNNBAE-HEBUSKTMSA-N	-1	0	547.640	3.865	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022689	1066669486	/nfs/dbraw/zinc/66/94/86/1066669486.db2.gz	PJQRZZKIKNNBAE-JAEKAEENSA-N	-1	0	547.640	3.865	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022690	1066669496	/nfs/dbraw/zinc/66/94/96/1066669496.db2.gz	PJQRZZKIKNNBAE-OCFDGFBPSA-N	-1	0	547.640	3.865	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1ccccc1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022691	1066670035	/nfs/dbraw/zinc/67/00/35/1066670035.db2.gz	PJQRZZKIKNNBAE-SEMWCAJOSA-N	-1	0	547.640	3.865	40	0		KHABRM
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409022716	1066669340	/nfs/dbraw/zinc/66/93/40/1066669340.db2.gz	QEZWKSZPDMOXBX-IAQXYPRLSA-N	-1	0	623.529	3.949	40	0		KHABRM
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409022717	1066669475	/nfs/dbraw/zinc/66/94/75/1066669475.db2.gz	QEZWKSZPDMOXBX-KCNAVOCSSA-N	-1	0	623.529	3.949	40	0		KHABRM
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409022718	1066669417	/nfs/dbraw/zinc/66/94/17/1066669417.db2.gz	QEZWKSZPDMOXBX-LNEOCIKXSA-N	-1	0	623.529	3.949	40	0		KHABRM
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n21	ZINC000409022719	1066669511	/nfs/dbraw/zinc/66/95/11/1066669511.db2.gz	QEZWKSZPDMOXBX-PEIDGHJYSA-N	-1	0	623.529	3.949	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	ZINC000409022892	1066668713	/nfs/dbraw/zinc/66/87/13/1066668713.db2.gz	VNQBKEAUJOPCCG-JASXYKIFSA-N	-1	0	696.370	3.804	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	ZINC000409022894	1066669368	/nfs/dbraw/zinc/66/93/68/1066669368.db2.gz	VNQBKEAUJOPCCG-YOKXWHKFSA-N	-1	0	696.370	3.804	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022978	1066252606	/nfs/dbraw/zinc/25/26/06/1066252606.db2.gz	AKNQKBLQAYUDKZ-QUTSIUMYSA-N	-1	0	553.669	3.926	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022980	1066669386	/nfs/dbraw/zinc/66/93/86/1066669386.db2.gz	AKNQKBLQAYUDKZ-QZNLDOEVSA-N	-1	0	553.669	3.926	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022983	1066669451	/nfs/dbraw/zinc/66/94/51/1066669451.db2.gz	AKNQKBLQAYUDKZ-TZJLXGOFSA-N	-1	0	553.669	3.926	40	0		KHABRM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2	ZINC000409022985	1066668665	/nfs/dbraw/zinc/66/86/65/1066668665.db2.gz	AKNQKBLQAYUDKZ-ZPPWVUOBSA-N	-1	0	553.669	3.926	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000409023513	1066253155	/nfs/dbraw/zinc/25/31/55/1066253155.db2.gz	GJQVLMULOJIQHD-FSRLHUNPSA-N	-1	0	606.660	3.655	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000409023514	1066668687	/nfs/dbraw/zinc/66/86/87/1066668687.db2.gz	GJQVLMULOJIQHD-FWRBMIKLSA-N	-1	0	606.660	3.655	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000409023516	1066668761	/nfs/dbraw/zinc/66/87/61/1066668761.db2.gz	GJQVLMULOJIQHD-NDCKXWRBSA-N	-1	0	606.660	3.655	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000409023519	1066253175	/nfs/dbraw/zinc/25/31/75/1066253175.db2.gz	GJQVLMULOJIQHD-QBRMMJICSA-N	-1	0	606.660	3.655	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000409023542	1066668697	/nfs/dbraw/zinc/66/86/97/1066668697.db2.gz	GSKZMHUEAGLLHB-FFMVVVMGSA-N	-1	0	580.666	3.951	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000409023544	1066668782	/nfs/dbraw/zinc/66/87/82/1066668782.db2.gz	GSKZMHUEAGLLHB-XPTPWUFLSA-N	-1	0	580.666	3.951	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000409023547	1066668736	/nfs/dbraw/zinc/66/87/36/1066668736.db2.gz	GSKZMHUEAGLLHB-YDVQSEOWSA-N	-1	0	580.666	3.951	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000409023550	1066668790	/nfs/dbraw/zinc/66/87/90/1066668790.db2.gz	GSKZMHUEAGLLHB-ZNBHYSKVSA-N	-1	0	580.666	3.951	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000409023554	1066253377	/nfs/dbraw/zinc/25/33/77/1066253377.db2.gz	YVIRVZMRKDHVKT-CYQZAFKBSA-N	-1	0	622.703	3.943	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	ZINC000409023556	1066668719	/nfs/dbraw/zinc/66/87/19/1066668719.db2.gz	YVIRVZMRKDHVKT-FNWSVEHWSA-N	-1	0	622.703	3.943	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000409023557	1066253426	/nfs/dbraw/zinc/25/34/26/1066253426.db2.gz	YVIRVZMRKDHVKT-HTLDOHBKSA-N	-1	0	622.703	3.943	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000409023558	1066668633	/nfs/dbraw/zinc/66/86/33/1066668633.db2.gz	YVIRVZMRKDHVKT-UTFSXQGBSA-N	-1	0	622.703	3.943	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409023742	1066667931	/nfs/dbraw/zinc/66/79/31/1066667931.db2.gz	OFMYRBIRXVASFB-CSWWYNTESA-N	-1	0	588.686	3.586	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409023743	1066668005	/nfs/dbraw/zinc/66/80/05/1066668005.db2.gz	OFMYRBIRXVASFB-HTZDHMJLSA-N	-1	0	588.686	3.586	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409023744	1066668041	/nfs/dbraw/zinc/66/80/41/1066668041.db2.gz	OFMYRBIRXVASFB-IPHMJRBMSA-N	-1	0	588.686	3.586	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(=O)c(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)sc2=N1	ZINC000409023745	1066253134	/nfs/dbraw/zinc/25/31/34/1066253134.db2.gz	OFMYRBIRXVASFB-WJOLIHQMSA-N	-1	0	588.686	3.586	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(Br)ccc1OC	ZINC000409023858	1066668743	/nfs/dbraw/zinc/66/87/43/1066668743.db2.gz	LAAUSEMDDRXCIL-BMPFTUQGSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	ZINC000409023859	1066668647	/nfs/dbraw/zinc/66/86/47/1066668647.db2.gz	LAAUSEMDDRXCIL-IOTMUHQYSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	ZINC000409023860	1066668016	/nfs/dbraw/zinc/66/80/16/1066668016.db2.gz	LAAUSEMDDRXCIL-UKUKMUELSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(Br)ccc1OC	ZINC000409023861	1066667901	/nfs/dbraw/zinc/66/79/01/1066667901.db2.gz	LAAUSEMDDRXCIL-YJPZCCCKSA-N	-1	0	609.502	3.560	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000409023960	1066253280	/nfs/dbraw/zinc/25/32/80/1066253280.db2.gz	OJLZNOFFJCOQPO-HJSZJZEISA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000409023962	1066253193	/nfs/dbraw/zinc/25/31/93/1066253193.db2.gz	OJLZNOFFJCOQPO-KMXMFRAOSA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000409023965	1066667867	/nfs/dbraw/zinc/66/78/67/1066667867.db2.gz	OJLZNOFFJCOQPO-QNDMGUKUSA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000409023967	1066668030	/nfs/dbraw/zinc/66/80/30/1066668030.db2.gz	OJLZNOFFJCOQPO-YKEIRAJFSA-N	-1	0	592.677	3.935	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000409024781	1066667972	/nfs/dbraw/zinc/66/79/72/1066667972.db2.gz	WORAHTYXHURJNF-CMYPOMNDSA-N	-1	0	591.867	3.678	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000409024783	1066254005	/nfs/dbraw/zinc/25/40/05/1066254005.db2.gz	WORAHTYXHURJNF-ZVYKEMNCSA-N	-1	0	591.867	3.678	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409024807	1066668053	/nfs/dbraw/zinc/66/80/53/1066668053.db2.gz	XDKYNYCSFMZLDP-DXPGUUQYSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409024809	1066253911	/nfs/dbraw/zinc/25/39/11/1066253911.db2.gz	XDKYNYCSFMZLDP-HAUKGQKCSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409024812	1066667951	/nfs/dbraw/zinc/66/79/51/1066667951.db2.gz	XDKYNYCSFMZLDP-NYBMMAGXSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409024814	1066253859	/nfs/dbraw/zinc/25/38/59/1066253859.db2.gz	XDKYNYCSFMZLDP-TXKRCJRJSA-N	-1	0	558.660	3.576	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409029435	1066683905	/nfs/dbraw/zinc/68/39/05/1066683905.db2.gz	AXYBXXNGRYSPMJ-AMXTYKKZSA-N	-1	0	675.554	3.829	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409029436	1066253973	/nfs/dbraw/zinc/25/39/73/1066253973.db2.gz	AXYBXXNGRYSPMJ-FVTDTAELSA-N	-1	0	675.554	3.829	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409029940	1066683945	/nfs/dbraw/zinc/68/39/45/1066683945.db2.gz	DHLPBRYTSHBNHK-AXADVEHHSA-N	-1	0	804.397	3.664	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409029941	1066683885	/nfs/dbraw/zinc/68/38/85/1066683885.db2.gz	DHLPBRYTSHBNHK-XFOXHJFNSA-N	-1	0	804.397	3.664	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409030128	1066683129	/nfs/dbraw/zinc/68/31/29/1066683129.db2.gz	CCZXINVWNRJKPM-CDFDVJQDSA-N	-1	0	679.531	3.519	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409030130	1066683042	/nfs/dbraw/zinc/68/30/42/1066683042.db2.gz	CCZXINVWNRJKPM-XUJHGBKNSA-N	-1	0	679.531	3.519	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCC(=O)[O-])cc3Br)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409030558	1066254431	/nfs/dbraw/zinc/25/44/31/1066254431.db2.gz	GGKBXPBNGMIOLH-ABLFFYCWSA-N	-1	0	675.554	3.829	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCC(=O)[O-])cc3Br)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409030561	1066683226	/nfs/dbraw/zinc/68/32/26/1066683226.db2.gz	GGKBXPBNGMIOLH-DAQGULMVSA-N	-1	0	675.554	3.829	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000409031323	1066681845	/nfs/dbraw/zinc/68/18/45/1066681845.db2.gz	AQOLZAZVFYIOJQ-NQDYMZAQSA-N	-1	0	571.051	3.704	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000409031324	1066681836	/nfs/dbraw/zinc/68/18/36/1066681836.db2.gz	AQOLZAZVFYIOJQ-RTOMEVGKSA-N	-1	0	571.051	3.704	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409031993	1066680711	/nfs/dbraw/zinc/68/07/11/1066680711.db2.gz	IIHIYLCGTRGLPU-AXADVEHHSA-N	-1	0	665.946	3.870	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409031996	1066680534	/nfs/dbraw/zinc/68/05/34/1066680534.db2.gz	IIHIYLCGTRGLPU-XFOXHJFNSA-N	-1	0	665.946	3.870	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)[O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409032255	1066679893	/nfs/dbraw/zinc/67/98/93/1066679893.db2.gz	MDMRBHZZVUQNMC-CDFDVJQDSA-N	-1	0	815.433	3.579	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)[O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409032256	1066679860	/nfs/dbraw/zinc/67/98/60/1066679860.db2.gz	MDMRBHZZVUQNMC-XUJHGBKNSA-N	-1	0	815.433	3.579	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000409032405	1066679884	/nfs/dbraw/zinc/67/98/84/1066679884.db2.gz	BYEKXDKTIODXKT-FJWZAKCXSA-N	-1	0	541.025	3.939	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000409032408	1066679874	/nfs/dbraw/zinc/67/98/74/1066679874.db2.gz	BYEKXDKTIODXKT-RQLGBQGVSA-N	-1	0	541.025	3.939	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409032714	1066679340	/nfs/dbraw/zinc/67/93/40/1066679340.db2.gz	MTOSGSCPYMECFR-AXADVEHHSA-N	-1	0	710.397	3.979	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409032715	1066679391	/nfs/dbraw/zinc/67/93/91/1066679391.db2.gz	MTOSGSCPYMECFR-XFOXHJFNSA-N	-1	0	710.397	3.979	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409032966	1066255800	/nfs/dbraw/zinc/25/58/00/1066255800.db2.gz	JYSYGRUZOCQUPL-AMXTYKKZSA-N	-1	0	645.528	3.820	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409032969	1066678613	/nfs/dbraw/zinc/67/86/13/1066678613.db2.gz	JYSYGRUZOCQUPL-FVTDTAELSA-N	-1	0	645.528	3.820	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409033616	1066255938	/nfs/dbraw/zinc/25/59/38/1066255938.db2.gz	MIYIPQOBLLCBPP-CWJUKMOQSA-N	-1	0	646.674	3.707	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409033619	1066677924	/nfs/dbraw/zinc/67/79/24/1066677924.db2.gz	MIYIPQOBLLCBPP-SFKHYTNKSA-N	-1	0	646.674	3.707	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409034312	1066677293	/nfs/dbraw/zinc/67/72/93/1066677293.db2.gz	HHRUWKMKHWYSJB-AMXTYKKZSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409034316	1066254583	/nfs/dbraw/zinc/25/45/83/1066254583.db2.gz	HHRUWKMKHWYSJB-FVTDTAELSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c([O-])c(Br)c3)sc2=N1	ZINC000409034345	1066256037	/nfs/dbraw/zinc/25/60/37/1066256037.db2.gz	NOOODLRSTBWGKG-DPWKNNTCSA-N	-1	0	533.831	3.920	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c([O-])c(Br)c3)sc2=N1	ZINC000409034352	1066255217	/nfs/dbraw/zinc/25/52/17/1066255217.db2.gz	NOOODLRSTBWGKG-XGHXRCDJSA-N	-1	0	533.831	3.920	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000409034458	1066676633	/nfs/dbraw/zinc/67/66/33/1066676633.db2.gz	HOIDIDYGMHGNLH-NQDYMZAQSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3ccc(OCC(=O)[O-])cc3)sc2=N1	ZINC000409034460	1066193345	/nfs/dbraw/zinc/19/33/45/1066193345.db2.gz	HOIDIDYGMHGNLH-RTOMEVGKSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409034586	1066676688	/nfs/dbraw/zinc/67/66/88/1066676688.db2.gz	HPBCBPCJLNLKAU-AXADVEHHSA-N	-1	0	621.495	3.761	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409034589	1066676607	/nfs/dbraw/zinc/67/66/07/1066676607.db2.gz	HPBCBPCJLNLKAU-XFOXHJFNSA-N	-1	0	621.495	3.761	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409035065	1066675859	/nfs/dbraw/zinc/67/58/59/1066675859.db2.gz	ISVKPWYVAVQKAG-CDFDVJQDSA-N	-1	0	723.982	3.628	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)sc2=N1	ZINC000409035068	1066257014	/nfs/dbraw/zinc/25/70/14/1066257014.db2.gz	IVRPJJQLVVVQPF-PETIARSGSA-N	-1	0	547.416	3.569	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409035069	1066675818	/nfs/dbraw/zinc/67/58/18/1066675818.db2.gz	ISVKPWYVAVQKAG-XUJHGBKNSA-N	-1	0	723.982	3.628	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)sc2=N1	ZINC000409035070	1066257144	/nfs/dbraw/zinc/25/71/44/1066257144.db2.gz	IVRPJJQLVVVQPF-VTCDDQIKSA-N	-1	0	547.416	3.569	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c([O-])c(I)c3)sc2=N1	ZINC000409036683	1066673573	/nfs/dbraw/zinc/67/35/73/1066673573.db2.gz	LIESFDJJXJGQGW-DPWKNNTCSA-N	-1	0	625.282	3.871	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c([O-])c(I)c3)sc2=N1	ZINC000409036684	1066673559	/nfs/dbraw/zinc/67/35/59/1066673559.db2.gz	LIESFDJJXJGQGW-XGHXRCDJSA-N	-1	0	625.282	3.871	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c([O-])c(I)c3)sc2=N1	ZINC000409036801	1066673596	/nfs/dbraw/zinc/67/35/96/1066673596.db2.gz	BPEBSLTVUDXPRN-DPWKNNTCSA-N	-1	0	672.282	3.713	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(I)c([O-])c(I)c3)sc2=N1	ZINC000409036802	1066673652	/nfs/dbraw/zinc/67/36/52/1066673652.db2.gz	BPEBSLTVUDXPRN-XGHXRCDJSA-N	-1	0	672.282	3.713	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409037919	1066685319	/nfs/dbraw/zinc/68/53/19/1066685319.db2.gz	USQCKEYYPPUSAT-NAIWQIQESA-N	-1	0	646.674	3.707	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409037920	1066256515	/nfs/dbraw/zinc/25/65/15/1066256515.db2.gz	USQCKEYYPPUSAT-YIECNSLDSA-N	-1	0	646.674	3.707	40	0		KHABRM
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c(OCC(=O)[O-])c(OC)c4)c(=O)n32)cc1	ZINC000409038369	1066694186	/nfs/dbraw/zinc/69/41/86/1066694186.db2.gz	VCPQZIMBSDYVPR-NQDYMZAQSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(I)c(OCC(=O)[O-])c(OC)c4)c(=O)n32)cc1	ZINC000409038371	1066256636	/nfs/dbraw/zinc/25/66/36/1066256636.db2.gz	VCPQZIMBSDYVPR-RTOMEVGKSA-N	-1	0	692.528	3.662	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409038978	1066256552	/nfs/dbraw/zinc/25/65/52/1066256552.db2.gz	WIMKLIHXQKVISJ-CWJUKMOQSA-N	-1	0	646.674	3.707	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409038981	1066694245	/nfs/dbraw/zinc/69/42/45/1066694245.db2.gz	WIMKLIHXQKVISJ-SFKHYTNKSA-N	-1	0	646.674	3.707	40	0		KHABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCc1ccc(I)cc1	ZINC000409039309	1066693368	/nfs/dbraw/zinc/69/33/68/1066693368.db2.gz	CKXPZDQSKXWUAM-VGOFMYFVSA-N	-1	0	576.128	3.664	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)sc2=N1	ZINC000409040108	1066692968	/nfs/dbraw/zinc/69/29/68/1066692968.db2.gz	SHZKZZHOBKXJDF-PETIARSGSA-N	-1	0	683.318	3.629	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)sc2=N1	ZINC000409040111	1066693426	/nfs/dbraw/zinc/69/34/26/1066693426.db2.gz	SHZKZZHOBKXJDF-VTCDDQIKSA-N	-1	0	683.318	3.629	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409040954	1066691314	/nfs/dbraw/zinc/69/13/14/1066691314.db2.gz	VHIGNAPFXOHQAL-QTUJNPFGSA-N	-1	0	665.946	3.870	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409040956	1066691386	/nfs/dbraw/zinc/69/13/86/1066691386.db2.gz	VHIGNAPFXOHQAL-ZSOQTWPFSA-N	-1	0	665.946	3.870	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)sc2=N1	ZINC000409041612	1066690776	/nfs/dbraw/zinc/69/07/76/1066690776.db2.gz	AUNFORSDEIHEAO-DLBLZJNESA-N	-1	0	514.559	3.757	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)sc2=N1	ZINC000409041615	1066258378	/nfs/dbraw/zinc/25/83/78/1066258378.db2.gz	AUNFORSDEIHEAO-FCKOQQNDSA-N	-1	0	514.559	3.757	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000409042359	1066689889	/nfs/dbraw/zinc/68/98/89/1066689889.db2.gz	KJAPTLVBXIFPIC-NQDYMZAQSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(=O)/c(=C\c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000409042361	1066689874	/nfs/dbraw/zinc/68/98/74/1066689874.db2.gz	KJAPTLVBXIFPIC-RTOMEVGKSA-N	-1	0	615.502	3.813	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409042806	1066689999	/nfs/dbraw/zinc/68/99/99/1066689999.db2.gz	CTRVOCMNAPPZKD-AXADVEHHSA-N	-1	0	757.397	3.822	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c([O-])c(I)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409042809	1066690067	/nfs/dbraw/zinc/69/00/67/1066690067.db2.gz	CTRVOCMNAPPZKD-XFOXHJFNSA-N	-1	0	757.397	3.822	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409042851	1066689436	/nfs/dbraw/zinc/68/94/36/1066689436.db2.gz	XYGPZMVWPDOQTK-AXADVEHHSA-N	-1	0	665.946	3.870	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409042853	1066689518	/nfs/dbraw/zinc/68/95/18/1066689518.db2.gz	XYGPZMVWPDOQTK-XFOXHJFNSA-N	-1	0	665.946	3.870	40	0		KHABRM
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)[O-])cc3Br)N(C)C2=S)cc1	ZINC000409042883	1066689450	/nfs/dbraw/zinc/68/94/50/1066689450.db2.gz	LEOSDVPCTLJGHP-MFOYZWKCSA-N	-1	0	521.389	3.924	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000409042940	1066689558	/nfs/dbraw/zinc/68/95/58/1066689558.db2.gz	LSTJGTSBIPRYDN-NQDYMZAQSA-N	-1	0	571.051	3.704	40	0		KHABRM
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(=O)/c(=C\c3cccc(OCC(=O)[O-])c3)sc2=N1	ZINC000409042941	1066689455	/nfs/dbraw/zinc/68/94/55/1066689455.db2.gz	LSTJGTSBIPRYDN-RTOMEVGKSA-N	-1	0	571.051	3.704	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409043572	1066688509	/nfs/dbraw/zinc/68/85/09/1066688509.db2.gz	NCDOOENVKNHROH-CDFDVJQDSA-N	-1	0	768.433	3.737	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409043573	1066258545	/nfs/dbraw/zinc/25/85/45/1066258545.db2.gz	NCDOOENVKNHROH-XUJHGBKNSA-N	-1	0	768.433	3.737	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc2=N1	ZINC000409045409	1066688239	/nfs/dbraw/zinc/68/82/39/1066688239.db2.gz	IPZOVRMIFSIZSV-DLBLZJNESA-N	-1	0	514.559	3.757	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)sc2=N1	ZINC000409045413	1066688203	/nfs/dbraw/zinc/68/82/03/1066688203.db2.gz	IPZOVRMIFSIZSV-FCKOQQNDSA-N	-1	0	514.559	3.757	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409045990	1066687312	/nfs/dbraw/zinc/68/73/12/1066687312.db2.gz	QSPDNCVQLXQTFL-AXADVEHHSA-N	-1	0	621.495	3.761	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c([O-])c(Cl)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409045992	1066259083	/nfs/dbraw/zinc/25/90/83/1066259083.db2.gz	QSPDNCVQLXQTFL-XFOXHJFNSA-N	-1	0	621.495	3.761	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409046919	1066686423	/nfs/dbraw/zinc/68/64/23/1066686423.db2.gz	LLUUVIAGSGFLLO-AMXTYKKZSA-N	-1	0	631.103	3.720	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409046921	1066686486	/nfs/dbraw/zinc/68/64/86/1066686486.db2.gz	LLUUVIAGSGFLLO-FVTDTAELSA-N	-1	0	631.103	3.720	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409047865	1066699359	/nfs/dbraw/zinc/69/93/59/1066699359.db2.gz	NOIRZALDFOOLGY-HXVNVKTJSA-N	-1	0	588.686	3.585	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409047866	1066699267	/nfs/dbraw/zinc/69/92/67/1066699267.db2.gz	NOIRZALDFOOLGY-PHCZALNASA-N	-1	0	588.686	3.585	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409047868	1066699303	/nfs/dbraw/zinc/69/93/03/1066699303.db2.gz	NOIRZALDFOOLGY-PYODIACCSA-N	-1	0	588.686	3.585	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409047872	1066699189	/nfs/dbraw/zinc/69/91/89/1066699189.db2.gz	NOIRZALDFOOLGY-VXVPYHMZSA-N	-1	0	588.686	3.585	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409048788	1066698736	/nfs/dbraw/zinc/69/87/36/1066698736.db2.gz	XFQFRUUEXBNOPC-AMXTYKKZSA-N	-1	0	722.554	3.671	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409048791	1066698704	/nfs/dbraw/zinc/69/87/04/1066698704.db2.gz	XFQFRUUEXBNOPC-FVTDTAELSA-N	-1	0	722.554	3.671	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	ZINC000409049011	1066258849	/nfs/dbraw/zinc/25/88/49/1066258849.db2.gz	XXNPFVPOMQOBSL-AXADVEHHSA-N	-1	0	712.946	3.712	40	0		KHABRM
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)sc2=N1	ZINC000409049651	195497093	/nfs/dbraw/zinc/49/70/93/195497093.db2.gz	ZLEOBQCHFXQNCA-NLZIUFDSSA-N	-1	0	514.559	3.757	40	0		KHABRM
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)sc2=N1	ZINC000409049653	195496983	/nfs/dbraw/zinc/49/69/83/195496983.db2.gz	ZLEOBQCHFXQNCA-WLGHQHAYSA-N	-1	0	514.559	3.757	40	0		KHABRM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(I)c2)N1	ZINC000409054421	1066695439	/nfs/dbraw/zinc/69/54/39/1066695439.db2.gz	FYBZXDLLNPBKJV-RIYZIHGNSA-N	-1	0	546.102	3.655	40	0		KHABRM
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(I)cc1	ZINC000409057021	1066259723	/nfs/dbraw/zinc/25/97/23/1066259723.db2.gz	OKBWUZQZILGLHC-VGOFMYFVSA-N	-1	0	529.128	3.822	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409067650	1066708258	/nfs/dbraw/zinc/70/82/58/1066708258.db2.gz	QLECPUGEMCMGIS-MKMNVTDBSA-N	-1	0	528.686	3.514	40	0		KHABRM
O=C1N/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1Cc1ccccc1F	ZINC000409067912	1066260395	/nfs/dbraw/zinc/26/03/95/1066260395.db2.gz	DRQFILNFECITMZ-VGOFMYFVSA-N	-1	0	564.092	3.833	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1Br	ZINC000409068604	1066708345	/nfs/dbraw/zinc/70/83/45/1066708345.db2.gz	SBQZNIDFWKJINZ-VIZOYTHASA-N	-1	0	528.128	3.907	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409068888	1066707793	/nfs/dbraw/zinc/70/77/93/1066707793.db2.gz	UIWYJPQODZLUBK-VIZOYTHASA-N	-1	0	542.713	3.904	40	0		KHABRM
CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409069626	1066707269	/nfs/dbraw/zinc/70/72/69/1066707269.db2.gz	WLHROVCZCCFNSK-UHFFFAOYSA-N	-1	0	540.306	3.697	40	0		KHABRM
CCN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409072144	1066704501	/nfs/dbraw/zinc/70/45/01/1066704501.db2.gz	ISLZUAYRHOWGOP-WEVVVXLNSA-N	-1	0	501.083	3.658	40	0		KHABRM
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(OCC(=O)[O-])c(OC)c4)c(=O)n32)cc1	ZINC000409077345	1066709726	/nfs/dbraw/zinc/70/97/26/1066709726.db2.gz	DFRSGUACAPJTCV-JYXZFHPPSA-N	-1	0	711.534	3.959	40	0		KHABRM
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(OCC(=O)[O-])c(OC)c4)c(=O)n32)cc1	ZINC000409077349	1066710298	/nfs/dbraw/zinc/71/02/98/1066710298.db2.gz	DFRSGUACAPJTCV-LMVGNEGFSA-N	-1	0	711.534	3.959	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	ZINC000409080475	1066262018	/nfs/dbraw/zinc/26/20/18/1066262018.db2.gz	ICNKZIALWYMYCR-BUOVBRTISA-N	-1	0	653.555	3.959	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	ZINC000409080477	1066709144	/nfs/dbraw/zinc/70/91/44/1066709144.db2.gz	ICNKZIALWYMYCR-FHMRHKEBSA-N	-1	0	653.555	3.959	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	ZINC000409080479	1066709204	/nfs/dbraw/zinc/70/92/04/1066709204.db2.gz	ICNKZIALWYMYCR-MKDJYKQHSA-N	-1	0	653.555	3.959	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	ZINC000409080481	1066708989	/nfs/dbraw/zinc/70/89/89/1066708989.db2.gz	ICNKZIALWYMYCR-OQVHPJHNSA-N	-1	0	653.555	3.959	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000409086166	1066710720	/nfs/dbraw/zinc/71/07/20/1066710720.db2.gz	GBLOZDPSCJJHCQ-VCHYOVAHSA-N	-1	0	535.372	3.986	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	ZINC000409087380	1066720360	/nfs/dbraw/zinc/72/03/60/1066720360.db2.gz	TXYHBZGXWQBALY-KIHONOKQSA-N	-1	0	601.475	3.666	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	ZINC000409087382	1066720585	/nfs/dbraw/zinc/72/05/85/1066720585.db2.gz	TXYHBZGXWQBALY-YLVTVWEBSA-N	-1	0	601.475	3.666	40	0		KHABRM
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409092026	1066718362	/nfs/dbraw/zinc/71/83/62/1066718362.db2.gz	SJYHVCXNGRTKTN-NITSSJHDSA-N	-1	0	577.666	3.873	40	0		KHABRM
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409092028	1066718272	/nfs/dbraw/zinc/71/82/72/1066718272.db2.gz	SJYHVCXNGRTKTN-RQYCCHBOSA-N	-1	0	577.666	3.873	40	0		KHABRM
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409092031	1066718221	/nfs/dbraw/zinc/71/82/21/1066718221.db2.gz	SJYHVCXNGRTKTN-SWOZZIHNSA-N	-1	0	577.666	3.873	40	0		KHABRM
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4c(C)[n-]n(-c5ccccc5)c4=O)c(=O)n32)cc1	ZINC000409092033	1066718455	/nfs/dbraw/zinc/71/84/55/1066718455.db2.gz	SJYHVCXNGRTKTN-UVUVBMQPSA-N	-1	0	577.666	3.873	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1ccccc1OC	ZINC000409094738	1066716143	/nfs/dbraw/zinc/71/61/43/1066716143.db2.gz	FTQFDUQSCYZBSE-GXPYYPFNSA-N	-1	0	604.512	3.882	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1ccccc1OC	ZINC000409094741	1066262583	/nfs/dbraw/zinc/26/25/83/1066262583.db2.gz	FTQFDUQSCYZBSE-QYAMMSNYSA-N	-1	0	604.512	3.882	40	0		KHABRM
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409094784	1066716228	/nfs/dbraw/zinc/71/62/28/1066716228.db2.gz	GAXYAZXBBTYNMH-LFYBBSHMSA-N	-1	0	584.182	3.505	40	0		KHABRM
COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409095431	1066715558	/nfs/dbraw/zinc/71/55/58/1066715558.db2.gz	CMMZXSMUXBATSK-HYARGMPZSA-N	-1	0	515.522	3.812	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000409095830	1066715656	/nfs/dbraw/zinc/71/56/56/1066715656.db2.gz	IMLDPMPWZBEOQW-GXPYYPFNSA-N	-1	0	695.963	3.834	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000409095832	1066715530	/nfs/dbraw/zinc/71/55/30/1066715530.db2.gz	IMLDPMPWZBEOQW-QYAMMSNYSA-N	-1	0	695.963	3.834	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	ZINC000409096542	1066714413	/nfs/dbraw/zinc/71/44/13/1066714413.db2.gz	KNBOGNBUNYPELI-KGONEIDKSA-N	-1	0	634.538	3.891	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	ZINC000409096548	1066714403	/nfs/dbraw/zinc/71/44/03/1066714403.db2.gz	KNBOGNBUNYPELI-LWRBDHNKSA-N	-1	0	634.538	3.891	40	0		KHABRM
O=C([O-])COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O	ZINC000409096651	1066714472	/nfs/dbraw/zinc/71/44/72/1066714472.db2.gz	GIHNSQZDMZWXCR-GIDUJCDVSA-N	-1	0	575.128	3.749	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000409096888	1066714053	/nfs/dbraw/zinc/71/40/53/1066714053.db2.gz	MKGURHDOLXLIKN-NPHLBUJTSA-N	-1	0	585.682	3.729	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000409096895	1066713947	/nfs/dbraw/zinc/71/39/47/1066713947.db2.gz	MKGURHDOLXLIKN-UJVJZFQOSA-N	-1	0	585.682	3.729	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000409097033	1066263026	/nfs/dbraw/zinc/26/30/26/1066263026.db2.gz	LKKOHPZKSONUBM-OXIKZWMZSA-N	-1	0	555.656	3.964	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000409097037	1066713964	/nfs/dbraw/zinc/71/39/64/1066713964.db2.gz	LKKOHPZKSONUBM-QEYQTOMISA-N	-1	0	555.656	3.964	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21	ZINC000409097193	1066713376	/nfs/dbraw/zinc/71/33/76/1066713376.db2.gz	HUGHYWBRFLQVFH-NPHLBUJTSA-N	-1	0	585.682	3.729	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21	ZINC000409097201	1066713385	/nfs/dbraw/zinc/71/33/85/1066713385.db2.gz	HUGHYWBRFLQVFH-UJVJZFQOSA-N	-1	0	585.682	3.729	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409097412	1066724415	/nfs/dbraw/zinc/72/44/15/1066724415.db2.gz	MMEZZHWAWYTWJM-VCHYOVAHSA-N	-1	0	565.398	3.995	40	0		KHABRM
O=C1N/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)N1Cc1ccccc1F	ZINC000409098425	1066264013	/nfs/dbraw/zinc/26/40/13/1066264013.db2.gz	QGHDGJCBHNEGJJ-VGOFMYFVSA-N	-1	0	517.092	3.991	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000409098729	1066723746	/nfs/dbraw/zinc/72/37/46/1066723746.db2.gz	JONAMGDPQMPNKM-VCHYOVAHSA-N	-1	0	535.372	3.986	40	0		KHABRM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)c1	ZINC000409100031	1066722947	/nfs/dbraw/zinc/72/29/47/1066722947.db2.gz	UJWHCEDZNKENIM-LZYBPNLTSA-N	-1	0	567.190	3.515	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(I)c3)C2=O)cc1	ZINC000409100116	1066722474	/nfs/dbraw/zinc/72/24/74/1066722474.db2.gz	SMQKYYRJIXMOCS-VCHYOVAHSA-N	-1	0	582.372	3.828	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCC(=O)[O-])cc3Br)C2=O)cc1	ZINC000409101901	1066721009	/nfs/dbraw/zinc/72/10/09/1066721009.db2.gz	ZEZULGPWTLKHCX-DJKKODMXSA-N	-1	0	565.398	3.995	40	0		KHABRM
CCN1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409102486	1066727261	/nfs/dbraw/zinc/72/72/61/1066727261.db2.gz	AIGOYBVXEAWVFW-ONNFQVAWSA-N	-1	0	512.119	3.573	40	0		KHABRM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c([O-])c(Br)c3)C2=O)c1	ZINC000409102836	1066727225	/nfs/dbraw/zinc/72/72/25/1066727225.db2.gz	FGWFJIVDMOAGOK-OVCLIPMQSA-N	-1	0	509.154	3.757	40	0		KHABRM
CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409103236	1066727250	/nfs/dbraw/zinc/72/72/50/1066727250.db2.gz	XNPOGRSYAHHEEP-BJMVGYQFSA-N	-1	0	512.119	3.573	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(OCC)c3)C2=O)cc1	ZINC000409104595	1066263301	/nfs/dbraw/zinc/26/33/01/1066263301.db2.gz	FZIJJDLZWRILQX-UDWIEESQSA-N	-1	0	500.529	3.622	40	0		KHABRM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Br)c([O-])c(I)c3)C2=O)c1	ZINC000409105289	1066725859	/nfs/dbraw/zinc/72/58/59/1066725859.db2.gz	MIHVSNTVCDTZPM-OVCLIPMQSA-N	-1	0	556.154	3.599	40	0		KHABRM
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c([O-])c(I)c2)C1=O	ZINC000409106003	1066327613	/nfs/dbraw/zinc/32/76/13/1066327613.db2.gz	KJLMXWJXSVRUQL-VZUCSPMQSA-N	-1	0	526.146	3.747	40	0		KHABRM
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409106384	1066724780	/nfs/dbraw/zinc/72/47/80/1066724780.db2.gz	NBKMWICBSQLPEG-UUILKARUSA-N	-1	0	584.182	3.505	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	ZINC000409106612	1066724763	/nfs/dbraw/zinc/72/47/63/1066724763.db2.gz	OINNJRXMNBDBJX-DNQIBQKISA-N	-1	0	618.937	3.983	40	0		KHABRM
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	ZINC000409106614	1066724871	/nfs/dbraw/zinc/72/48/71/1066724871.db2.gz	OINNJRXMNBDBJX-NIQJEMAJSA-N	-1	0	618.937	3.983	40	0		KHABRM
O=C([O-])COc1c(I)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1I	ZINC000409108105	1066731669	/nfs/dbraw/zinc/73/16/69/1066731669.db2.gz	RUJPJCGQMKMKOO-VIZOYTHASA-N	-1	0	622.128	3.591	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409108706	1066265474	/nfs/dbraw/zinc/26/54/74/1066265474.db2.gz	YUGDVFOBPBETNN-VCHYOVAHSA-N	-1	0	520.947	3.886	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1I	ZINC000409108813	1066731106	/nfs/dbraw/zinc/73/11/06/1066731106.db2.gz	WFGRLHLPIUDPAQ-VIZOYTHASA-N	-1	0	575.128	3.749	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409108861	1066730811	/nfs/dbraw/zinc/73/08/11/1066730811.db2.gz	YIUCSUHJOPHIHB-VCHYOVAHSA-N	-1	0	612.398	3.837	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000409122762	1066266091	/nfs/dbraw/zinc/26/60/91/1066266091.db2.gz	BMAXKMITOARSLZ-LICLKQGHSA-N	-1	0	535.372	3.986	40	0		KHABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2Br)c1	ZINC000409123451	1066731760	/nfs/dbraw/zinc/73/17/60/1066731760.db2.gz	HCTMLYNHKVTZJD-UDWIEESQSA-N	-1	0	561.410	3.621	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCc1ccccc1	ZINC000409123718	1066735710	/nfs/dbraw/zinc/73/57/10/1066735710.db2.gz	IHENLLKTMQYPRK-CXUHLZMHSA-N	-1	0	525.320	4.000	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409128617	1066738851	/nfs/dbraw/zinc/73/88/51/1066738851.db2.gz	FVTBKBIOZDJAMG-RQZCQDPDSA-N	-1	0	582.372	3.747	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	ZINC000409129302	1066194244	/nfs/dbraw/zinc/19/42/44/1066194244.db2.gz	GEVQIZULOUHGBR-RQZCQDPDSA-N	-1	0	600.362	3.967	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OCC(=O)Nc1ccccc1	ZINC000409129633	1066738333	/nfs/dbraw/zinc/73/83/33/1066738333.db2.gz	VFBHEXZFLLGHCC-CXUHLZMHSA-N	-1	0	521.345	3.596	40	0		KHABRM
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)cc2Br)cc1	ZINC000409130672	1066737921	/nfs/dbraw/zinc/73/79/21/1066737921.db2.gz	UCSHUJGMNRBIBV-RQZCQDPDSA-N	-1	0	505.346	3.896	40	0		KHABRM
O=C([O-])c1ccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2Br)cc1	ZINC000409130974	1066737943	/nfs/dbraw/zinc/73/79/43/1066737943.db2.gz	ORNMCQCMCUNYIL-UDWIEESQSA-N	-1	0	561.410	3.621	40	0		KHABRM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)C1=O	ZINC000409131059	1066737859	/nfs/dbraw/zinc/73/78/59/1066737859.db2.gz	JMSMXIGYKSROHU-LZYBPNLTSA-N	-1	0	509.309	3.727	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCC(=O)Nc1ccccc1	ZINC000409131099	1066737953	/nfs/dbraw/zinc/73/79/53/1066737953.db2.gz	JQKNYCIIVPZJCZ-LICLKQGHSA-N	-1	0	582.372	3.828	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409131577	1066265965	/nfs/dbraw/zinc/26/59/65/1066265965.db2.gz	IYQZPWFJIRFEOH-FYJGNVAPSA-N	-1	0	561.012	3.911	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000409133238	1066737497	/nfs/dbraw/zinc/73/74/97/1066737497.db2.gz	NDDFXEIZPQJUCP-UDWIEESQSA-N	-1	0	591.436	3.630	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1ccc(I)cc1	ZINC000409134021	1066737566	/nfs/dbraw/zinc/73/75/66/1066737566.db2.gz	RMMZAYRSRYPNQI-RQZCQDPDSA-N	-1	0	525.320	4.000	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409134429	1066736700	/nfs/dbraw/zinc/73/67/00/1066736700.db2.gz	SORPYNPCTCVEBH-UDWIEESQSA-N	-1	0	546.985	3.521	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1	ZINC000409136370	1066736348	/nfs/dbraw/zinc/73/63/48/1066736348.db2.gz	UCMLNZSFJLHIMJ-FYJGNVAPSA-N	-1	0	561.012	3.911	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1	ZINC000409136498	1066736371	/nfs/dbraw/zinc/73/63/71/1066736371.db2.gz	RLFVDJDCXPSLKL-REZTVBANSA-N	-1	0	539.335	3.735	40	0		KHABRM
O=C([O-])c1ccc(COc2ccc(Br)cc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1	ZINC000409136770	1066735867	/nfs/dbraw/zinc/73/58/67/1066735867.db2.gz	ZJZKBRFKNJKGMU-UDWIEESQSA-N	-1	0	561.410	3.621	40	0		KHABRM
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2Cl)c1	ZINC000409136941	1066735750	/nfs/dbraw/zinc/73/57/50/1066735750.db2.gz	ZDNKMVHIUDOGBZ-UDWIEESQSA-N	-1	0	516.959	3.512	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1	ZINC000409137177	1066194810	/nfs/dbraw/zinc/19/48/10/1066194810.db2.gz	VNHLTNLIEBIEOW-LZYBPNLTSA-N	-1	0	586.335	3.577	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409137632	1066742209	/nfs/dbraw/zinc/74/22/09/1066742209.db2.gz	WNCVGHNLBRFPSA-FYJGNVAPSA-N	-1	0	652.463	3.862	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	ZINC000409138880	1066741718	/nfs/dbraw/zinc/74/17/18/1066741718.db2.gz	JFRCOEQTTMMZPS-GIJQJNRQSA-N	-1	0	535.372	3.986	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1OCC(=O)Nc1ccccc1	ZINC000409139308	1066267145	/nfs/dbraw/zinc/26/71/45/1066267145.db2.gz	ADWFBOBHGICQEX-CAOOACKPSA-N	-1	0	521.345	3.596	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	ZINC000409139569	1066194815	/nfs/dbraw/zinc/19/48/15/1066194815.db2.gz	OFSZIXYBSOPNPU-RQZCQDPDSA-N	-1	0	535.372	3.905	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409140650	1066741278	/nfs/dbraw/zinc/74/12/78/1066741278.db2.gz	HITRAOMRFOEVFF-UDWIEESQSA-N	-1	0	546.985	3.521	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409144260	1066739824	/nfs/dbraw/zinc/73/98/24/1066739824.db2.gz	OKAMPZYTRGOECB-UDWIEESQSA-N	-1	0	591.436	3.630	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1	ZINC000409148555	1066747645	/nfs/dbraw/zinc/74/76/45/1066747645.db2.gz	ZVCPRQCYOIPPSS-QGMBQPNBSA-N	-1	0	535.372	3.905	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1	ZINC000409148561	1066747539	/nfs/dbraw/zinc/74/75/39/1066747539.db2.gz	QNRDUCUWKCXGRR-FYJGNVAPSA-N	-1	0	652.463	3.862	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1	ZINC000409149208	1066747615	/nfs/dbraw/zinc/74/76/15/1066747615.db2.gz	ZCDCDBYUOHPYEI-LZYBPNLTSA-N	-1	0	539.335	3.735	40	0		KHABRM
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])cc3)C2=O)ccc1Cl	ZINC000409150401	1066747160	/nfs/dbraw/zinc/74/71/60/1066747160.db2.gz	BQWZVTABLABCGV-GIJQJNRQSA-N	-1	0	518.931	3.655	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409153510	1066745310	/nfs/dbraw/zinc/74/53/10/1066745310.db2.gz	LHQWHCGVCIVEES-RQZCQDPDSA-N	-1	0	521.345	3.596	40	0		KHABRM
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1OCC(=O)[O-]	ZINC000409157071	1066743909	/nfs/dbraw/zinc/74/39/09/1066743909.db2.gz	VJNJUZZOXJJDJQ-CXUHLZMHSA-N	-1	0	521.345	3.596	40	0		KHABRM
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OCC(=O)[O-])C2=O)ccc1Cl	ZINC000409159794	1066751368	/nfs/dbraw/zinc/75/13/68/1066751368.db2.gz	UUEDHQFUHVNPCT-GIJQJNRQSA-N	-1	0	548.957	3.664	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1	ZINC000409160784	1066268465	/nfs/dbraw/zinc/26/84/65/1066268465.db2.gz	ZKPQRJFNDPWMPZ-AQIZGWBQSA-N	-1	0	544.585	3.683	40	0		KHABRM
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1	ZINC000409160790	1066750337	/nfs/dbraw/zinc/75/03/37/1066750337.db2.gz	ZKPQRJFNDPWMPZ-ZDGAQAAHSA-N	-1	0	544.585	3.683	40	0		KHABRM
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)[O-])C2=O)ccc1Cl	ZINC000409165042	1066748521	/nfs/dbraw/zinc/74/85/21/1066748521.db2.gz	RPJAWCNRTFWSHT-GIJQJNRQSA-N	-1	0	518.931	3.655	40	0		KHABRM
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C2=O)c1	ZINC000409165811	1066747968	/nfs/dbraw/zinc/74/79/68/1066747968.db2.gz	AHVPLQWCNCWIRS-RQZCQDPDSA-N	-1	0	505.346	3.896	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409167152	1066752769	/nfs/dbraw/zinc/75/27/69/1066752769.db2.gz	HCJBFOLMRSNLHG-VCHYOVAHSA-N	-1	0	535.372	3.986	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000409167754	1066757605	/nfs/dbraw/zinc/75/76/05/1066757605.db2.gz	JQDPSMSJDJSIPR-RQZCQDPDSA-N	-1	0	521.345	3.596	40	0		KHABRM
COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000409169374	1066756781	/nfs/dbraw/zinc/75/67/81/1066756781.db2.gz	YATNBSVZDBAVIK-UHFFFAOYSA-N	-1	0	648.741	3.812	40	0		KHABRM
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(OC)c3)C2=O)ccc1Cl	ZINC000409170542	1066755675	/nfs/dbraw/zinc/75/56/75/1066755675.db2.gz	WDPVHWOHXDUKFW-DJKKODMXSA-N	-1	0	548.957	3.664	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409171827	1066755280	/nfs/dbraw/zinc/75/52/80/1066755280.db2.gz	BJQBWWZLGGOSOW-LICLKQGHSA-N	-1	0	536.322	3.880	40	0		KHABRM
COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409174487	1066754219	/nfs/dbraw/zinc/75/42/19/1066754219.db2.gz	UQCZELRGWGGJJT-VGOFMYFVSA-N	-1	0	528.686	3.514	40	0		KHABRM
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccc(F)cc2)cc1OC	ZINC000409180664	1066759073	/nfs/dbraw/zinc/75/90/73/1066759073.db2.gz	XWRFBMJQPSDZPI-UHFFFAOYSA-N	-1	0	606.679	3.934	40	0		KHABRM
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000409181927	1066759212	/nfs/dbraw/zinc/75/92/12/1066759212.db2.gz	GUOFEZTVFRSOQB-UHFFFAOYSA-N	-1	0	604.663	3.688	40	0		KHABRM
COc1c(I)cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1I	ZINC000409191684	1066761775	/nfs/dbraw/zinc/76/17/75/1066761775.db2.gz	KRKHZQBNWXUYEK-YHYXMXQVSA-N	-1	0	543.124	3.549	40	0		KHABRM
CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O	ZINC000409192053	1066270936	/nfs/dbraw/zinc/27/09/36/1066270936.db2.gz	TYCKZQFFZWGRDG-OVCLIPMQSA-N	-1	0	604.138	3.696	40	0		KHABRM
CCOc1c(I)cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1I	ZINC000409192557	1066271054	/nfs/dbraw/zinc/27/10/54/1066271054.db2.gz	DYUDGJHFDBJSLV-WDZFZDKYSA-N	-1	0	557.151	3.939	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)c1OCC(=O)[O-]	ZINC000409193556	1066761791	/nfs/dbraw/zinc/76/17/91/1066761791.db2.gz	GNGWZBYENOELST-NVMNQCDNSA-N	-1	0	548.957	3.664	40	0		KHABRM
COc1c(I)cc(I)cc1C=C(Sc1nnc(C)[nH]1)C(=O)[O-]	ZINC000409194207	1066271716	/nfs/dbraw/zinc/27/17/16/1066271716.db2.gz	PBAGAYCZMVTEPE-WMZJFQQLSA-N	-1	0	543.124	3.549	40	0		KHABRM
O=C1N/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)N1Cc1ccccc1	ZINC000409194889	1066271565	/nfs/dbraw/zinc/27/15/65/1066271565.db2.gz	DWKDCSPQDJTGIA-RIYZIHGNSA-N	-1	0	546.102	3.694	40	0		KHABRM
CCCCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409197072	1066327431	/nfs/dbraw/zinc/32/74/31/1066327431.db2.gz	VGHQHGJFXFRYIS-KPKJPENVSA-N	-1	0	587.173	3.981	40	0		KHABRM
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409197539	1066766430	/nfs/dbraw/zinc/76/64/30/1066766430.db2.gz	IFFQNXJSZJMLPL-OPYOOOJUSA-N	-1	0	587.173	3.979	40	0		KHABRM
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409197540	1066766419	/nfs/dbraw/zinc/76/64/19/1066766419.db2.gz	IFFQNXJSZJMLPL-UGZWPXFQSA-N	-1	0	587.173	3.979	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1	ZINC000409197726	1066766562	/nfs/dbraw/zinc/76/65/62/1066766562.db2.gz	NJSNXEIFMWXNJK-FPAXGFGJSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1	ZINC000409197727	1066196087	/nfs/dbraw/zinc/19/60/87/1066196087.db2.gz	NJSNXEIFMWXNJK-KWMZMRFFSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)c1	ZINC000409197728	1066766612	/nfs/dbraw/zinc/76/66/12/1066766612.db2.gz	NJSNXEIFMWXNJK-XDJZYPBNSA-N	-1	0	531.362	3.722	40	0		KHABRM
O=C([O-])c1cccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Br)c4ccccc4C3c3ccccc32)c1	ZINC000409197729	1066766495	/nfs/dbraw/zinc/76/64/95/1066766495.db2.gz	NJSNXEIFMWXNJK-YKUCYRFJSA-N	-1	0	531.362	3.722	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c1OCC(=O)[O-]	ZINC000409197822	1066765990	/nfs/dbraw/zinc/76/59/90/1066765990.db2.gz	PPCQUVICHUSBJR-NVNXTCNLSA-N	-1	0	510.446	3.641	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OCC)c3OCC(=O)[O-])C2=O)cc1	ZINC000409198483	1066765969	/nfs/dbraw/zinc/76/59/69/1066765969.db2.gz	GOAJEIBJQGLOIR-UNOMPAQXSA-N	-1	0	500.529	3.622	40	0		KHABRM
O=C(CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O)N1CCN(c2ccccc2)CC1	ZINC000409199179	1066327362	/nfs/dbraw/zinc/32/73/62/1066327362.db2.gz	HJWNAXZJOAROHF-LDADJPATSA-N	-1	0	675.286	3.987	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1OCC(=O)[O-]	ZINC000409200364	1066765483	/nfs/dbraw/zinc/76/54/83/1066765483.db2.gz	LAPXYOPSGHFLMO-YVLHZVERSA-N	-1	0	535.372	3.986	40	0		KHABRM
CC(C)COC(=O)CN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409205983	1066196210	/nfs/dbraw/zinc/19/62/10/1066196210.db2.gz	GKTGQWRDUKAJGU-LFYBBSHMSA-N	-1	0	587.173	3.837	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)c1OCC(=O)[O-]	ZINC000409206322	1066763678	/nfs/dbraw/zinc/76/36/78/1066763678.db2.gz	UIKQWOMSIAPARY-ZDLGFXPLSA-N	-1	0	502.570	3.946	40	0		KHABRM
O=C(CN1C(=O)N/C(=C/c2cc(Br)cc(Br)c2[O-])C1=O)Nc1ccccc1F	ZINC000409210945	1066768400	/nfs/dbraw/zinc/76/84/00/1066768400.db2.gz	LTRSMZVWHAYENR-MKMNVTDBSA-N	-1	0	513.117	3.588	40	0		KHABRM
O=C(CN1C(=O)N/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O)Nc1ccccc1F	ZINC000409211691	1066767585	/nfs/dbraw/zinc/76/75/85/1066767585.db2.gz	OBHMIWRLRKQEDN-VGOFMYFVSA-N	-1	0	513.117	3.588	40	0		KHABRM
COc1cccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1OCc1cccc(C(=O)[O-])c1	ZINC000409216259	1066767020	/nfs/dbraw/zinc/76/70/20/1066767020.db2.gz	GROLIABHKDFZMD-FYJGNVAPSA-N	-1	0	519.485	3.643	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409220969	1066769477	/nfs/dbraw/zinc/76/94/77/1066769477.db2.gz	IQTRCLNKNQXFOK-HYARGMPZSA-N	-1	0	545.548	3.903	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409221914	1066769412	/nfs/dbraw/zinc/76/94/12/1066769412.db2.gz	VUBOZIWLCUVFOJ-FRKPEAEDSA-N	-1	0	586.335	3.577	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409222635	1066769526	/nfs/dbraw/zinc/76/95/26/1066769526.db2.gz	COKWSIAMBRVPIB-VCHYOVAHSA-N	-1	0	520.947	3.886	40	0		KHABRM
COc1cccc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c1OCC(=O)[O-]	ZINC000409223145	1066769400	/nfs/dbraw/zinc/76/94/00/1066769400.db2.gz	GTBVYJXQSYKRAQ-RQZCQDPDSA-N	-1	0	506.330	3.840	40	0		KHABRM
COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409224277	1066769014	/nfs/dbraw/zinc/76/90/14/1066769014.db2.gz	KPMRRNYUIATCSS-GIJQJNRQSA-N	-1	0	506.330	3.840	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O	ZINC000409226289	1066768192	/nfs/dbraw/zinc/76/81/92/1066768192.db2.gz	MSBDHTIYAYZWBE-OEAKJJBVSA-N	-1	0	524.533	3.928	40	0		KHABRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1	ZINC000409227031	1066768223	/nfs/dbraw/zinc/76/82/23/1066768223.db2.gz	OINDPERTANSDRP-LZYBPNLTSA-N	-1	0	618.165	3.761	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000409227553	1066273744	/nfs/dbraw/zinc/27/37/44/1066273744.db2.gz	PXCNTITWJMSXMJ-KGENOOAVSA-N	-1	0	501.495	3.504	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1I	ZINC000409227582	1066771137	/nfs/dbraw/zinc/77/11/37/1066771137.db2.gz	QGTKCEAEKXCTBV-OVCLIPMQSA-N	-1	0	557.138	3.610	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C1=O	ZINC000409228422	1066771166	/nfs/dbraw/zinc/77/11/66/1066771166.db2.gz	AAHBSZSVGKRCRK-HYARGMPZSA-N	-1	0	501.495	3.504	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409228808	1066771146	/nfs/dbraw/zinc/77/11/46/1066771146.db2.gz	FMKPJCXCXHDUCP-DJKKODMXSA-N	-1	0	565.398	3.995	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000409229090	1066770876	/nfs/dbraw/zinc/77/08/76/1066770876.db2.gz	JRBKZPJGEKBKFQ-VCRXTVNUSA-N	-1	0	500.529	3.621	40	0		KHABRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000409229091	1066771124	/nfs/dbraw/zinc/77/11/24/1066771124.db2.gz	JRBKZPJGEKBKFQ-YQNUULROSA-N	-1	0	500.529	3.621	40	0		KHABRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c([O-])c(I)c2)C1=O	ZINC000409229256	1066770570	/nfs/dbraw/zinc/77/05/70/1066770570.db2.gz	MDJQSJVILRTXAZ-CXUHLZMHSA-N	-1	0	570.181	3.853	40	0		KHABRM
COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409229609	1066770382	/nfs/dbraw/zinc/77/03/82/1066770382.db2.gz	RUYRRLMNRUDQIG-KPKJPENVSA-N	-1	0	509.172	3.748	40	0		KHABRM
CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(I)c2)C1=O	ZINC000409229720	1066770613	/nfs/dbraw/zinc/77/06/13/1066770613.db2.gz	UDLWXJKQICJJNW-GZTJUZNOSA-N	-1	0	506.296	3.871	40	0		KHABRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409230474	1066772539	/nfs/dbraw/zinc/77/25/39/1066772539.db2.gz	YRKITBWACISWSQ-CXUHLZMHSA-N	-1	0	617.181	3.695	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1	ZINC000409230744	1066771942	/nfs/dbraw/zinc/77/19/42/1066771942.db2.gz	FZVYQVQHXTULQA-RQZCQDPDSA-N	-1	0	521.345	3.596	40	0		KHABRM
CCCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409233000	195511055	/nfs/dbraw/zinc/51/10/55/195511055.db2.gz	JKSXCBBFNKLPCG-IZZDOVSWSA-N	-1	0	573.146	3.806	40	0		KHABRM
O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O	ZINC000409233032	1066771954	/nfs/dbraw/zinc/77/19/54/1066771954.db2.gz	UFYDYAMOABYZAE-FRKPEAEDSA-N	-1	0	509.309	3.727	40	0		KHABRM
CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409233262	1066772125	/nfs/dbraw/zinc/77/21/25/1066772125.db2.gz	FBANCHYCINBCLD-LICLKQGHSA-N	-1	0	536.322	3.880	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409233611	1066771988	/nfs/dbraw/zinc/77/19/88/1066771988.db2.gz	LIQLRVNBTCJJMS-RQZCQDPDSA-N	-1	0	536.322	3.555	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(OCC(=O)[O-])cc3Br)C2=O)cc1	ZINC000409234341	1066771977	/nfs/dbraw/zinc/77/19/77/1066771977.db2.gz	ZLNNAGLMNNNZHF-QGMBQPNBSA-N	-1	0	551.371	3.605	40	0		KHABRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc(I)cc(Br)c3OCC(=O)[O-])C2=O)cc1	ZINC000409234349	1066772106	/nfs/dbraw/zinc/77/21/06/1066772106.db2.gz	VTVYSCPSJZDZCA-FRKPEAEDSA-N	-1	0	571.165	3.918	40	0		KHABRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409234381	1066772070	/nfs/dbraw/zinc/77/20/70/1066772070.db2.gz	WCUFAMDFKQFCOZ-RQZCQDPDSA-N	-1	0	581.217	3.769	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000409234703	1066772023	/nfs/dbraw/zinc/77/20/23/1066772023.db2.gz	XKLVAZICZINLHK-HYARGMPZSA-N	-1	0	501.495	3.504	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409234961	1066771535	/nfs/dbraw/zinc/77/15/35/1066771535.db2.gz	BKZUTXGYRBIMQX-CAOOACKPSA-N	-1	0	600.362	3.967	40	0		KHABRM
CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409235633	1066771460	/nfs/dbraw/zinc/77/14/60/1066771460.db2.gz	PJBBOAQYNNTUJJ-IZZDOVSWSA-N	-1	0	526.146	3.963	40	0		KHABRM
CCCN1C(=O)N/C(=C\c2cc(I)c(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000409236100	1066771417	/nfs/dbraw/zinc/77/14/17/1066771417.db2.gz	RAIFCGVPEKTNTO-LICLKQGHSA-N	-1	0	536.322	3.880	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000409236847	1066771567	/nfs/dbraw/zinc/77/15/67/1066771567.db2.gz	HLVAYRWARRMMDR-FYJGNVAPSA-N	-1	0	531.521	3.512	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409237137	1066770931	/nfs/dbraw/zinc/77/09/31/1066770931.db2.gz	JKPJPTPTXNOHGU-RQZCQDPDSA-N	-1	0	536.322	3.555	40	0		KHABRM
O=C([O-])COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1Br	ZINC000409238152	1066274040	/nfs/dbraw/zinc/27/40/40/1066274040.db2.gz	CLUPIPQOWAGMBW-FRKPEAEDSA-N	-1	0	509.309	3.727	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409239835	1066774080	/nfs/dbraw/zinc/77/40/80/1066774080.db2.gz	FNEIMVHFWXCLER-VCHYOVAHSA-N	-1	0	612.398	3.837	40	0		KHABRM
O=C([O-])COc1c(Br)cc(I)cc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O	ZINC000409239917	1066774166	/nfs/dbraw/zinc/77/41/66/1066774166.db2.gz	OJQGXMXGKACLOF-VIZOYTHASA-N	-1	0	557.138	3.610	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409240145	1066773762	/nfs/dbraw/zinc/77/37/62/1066773762.db2.gz	JTEOGWBLGZTELV-UBKPWBPPSA-N	-1	0	539.335	3.735	40	0		KHABRM
CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409241392	1066773586	/nfs/dbraw/zinc/77/35/86/1066773586.db2.gz	SHHHSRDDKYDZFZ-OVCLIPMQSA-N	-1	0	542.713	3.904	40	0		KHABRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)cc(Br)c3OCC(=O)[O-])C2=O)c1	ZINC000409242531	1066773599	/nfs/dbraw/zinc/77/35/99/1066773599.db2.gz	OGIMSUJGBWVVTN-FRKPEAEDSA-N	-1	0	571.165	3.918	40	0		KHABRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000409243110	1066773051	/nfs/dbraw/zinc/77/30/51/1066773051.db2.gz	YPWFONAHHSXTMQ-RQZCQDPDSA-N	-1	0	536.766	3.660	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000409244011	1066773238	/nfs/dbraw/zinc/77/32/38/1066773238.db2.gz	WIDJXJWVRMAXIP-FYJGNVAPSA-N	-1	0	531.521	3.512	40	0		KHABRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409244290	1066773064	/nfs/dbraw/zinc/77/30/64/1066773064.db2.gz	ARSOFCIXWNQBII-RQZCQDPDSA-N	-1	0	628.217	3.611	40	0		KHABRM
Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)cc1	ZINC000409244295	1066773244	/nfs/dbraw/zinc/77/32/44/1066773244.db2.gz	ASVHQAFUHKFJCH-LZYBPNLTSA-N	-1	0	571.165	3.918	40	0		KHABRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000409244761	1066773149	/nfs/dbraw/zinc/77/31/49/1066773149.db2.gz	IHWSDWSORVZZMN-LZYBPNLTSA-N	-1	0	571.165	3.918	40	0		KHABRM
Cc1cccc(CN2C(=O)N/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1	ZINC000409245766	1066773208	/nfs/dbraw/zinc/77/32/08/1066773208.db2.gz	YVSIYOFWKIPZNB-LZYBPNLTSA-N	-1	0	618.165	3.761	40	0		KHABRM
O=C([O-])COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1I	ZINC000409246455	1066772582	/nfs/dbraw/zinc/77/25/82/1066772582.db2.gz	IRBKJTLLXYNSAR-FRKPEAEDSA-N	-1	0	556.309	3.569	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409246708	1066772613	/nfs/dbraw/zinc/77/26/13/1066772613.db2.gz	AQHDHCHQUPXHNC-VCHYOVAHSA-N	-1	0	565.398	3.995	40	0		KHABRM
COCCCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)[O-])c(I)c2)C1=O	ZINC000409246789	1066772507	/nfs/dbraw/zinc/77/25/07/1066772507.db2.gz	DNBFLJRLVWWSBN-KPKJPENVSA-N	-1	0	556.172	3.590	40	0		KHABRM
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409247150	1066772600	/nfs/dbraw/zinc/77/26/00/1066772600.db2.gz	CCWZNMISFIVSGW-CAOOACKPSA-N	-1	0	628.217	3.611	40	0		KHABRM
COCCCN1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409247656	1066327864	/nfs/dbraw/zinc/32/78/64/1066327864.db2.gz	FHUQSGPFMSSXFH-WUXMJOGZSA-N	-1	0	556.172	3.590	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409249304	1066775035	/nfs/dbraw/zinc/77/50/35/1066775035.db2.gz	KBHQSRCXGDAKIE-FRKPEAEDSA-N	-1	0	539.335	3.735	40	0		KHABRM
COCCCN1C(=O)S/C(=C/c2cc(I)c([O-])c(I)c2)C1=O	ZINC000409249744	1066775066	/nfs/dbraw/zinc/77/50/66/1066775066.db2.gz	LFHNDNUXEGPZBT-YRNVUSSQSA-N	-1	0	545.136	3.674	40	0		KHABRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000409250688	1066774593	/nfs/dbraw/zinc/77/45/93/1066774593.db2.gz	NMKACHZNOAOFDK-RQZCQDPDSA-N	-1	0	551.371	3.605	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)C1=O	ZINC000409251381	1066774653	/nfs/dbraw/zinc/77/46/53/1066774653.db2.gz	PUWZCPQORRSSKI-KGENOOAVSA-N	-1	0	531.521	3.512	40	0		KHABRM
COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409253557	1066776826	/nfs/dbraw/zinc/77/68/26/1066776826.db2.gz	ZPRMSFYXGZVZBF-HJPCULJESA-N	-1	0	535.372	3.985	40	0		KHABRM
COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409253558	1066776709	/nfs/dbraw/zinc/77/67/09/1066776709.db2.gz	ZPRMSFYXGZVZBF-NJPLLEPOSA-N	-1	0	535.372	3.985	40	0		KHABRM
CCCN1C(=O)S/C(=C/c2cc(I)cc(Br)c2OCC(=O)[O-])C1=O	ZINC000409255770	1066776180	/nfs/dbraw/zinc/77/61/80/1066776180.db2.gz	ZPBIJVXDEJZUGZ-VZUCSPMQSA-N	-1	0	526.146	3.963	40	0		KHABRM
CC1CCN(C(=O)CN2C(=O)S/C(=C/c3cc(I)c([O-])c(I)c3)C2=O)CC1	ZINC000409258136	1066780726	/nfs/dbraw/zinc/78/07/26/1066780726.db2.gz	WQKGYKLCAYKHBJ-RIYZIHGNSA-N	-1	0	612.227	3.896	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409260679	1066779832	/nfs/dbraw/zinc/77/98/32/1066779832.db2.gz	UMLVPCOUXBXZPQ-MFOYZWKCSA-N	-1	0	535.372	3.905	40	0		KHABRM
O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O	ZINC000409268763	1066782936	/nfs/dbraw/zinc/78/29/36/1066782936.db2.gz	ABLYEBDFKRBYAC-VXLYETTFSA-N	-1	0	531.384	3.534	40	0		KHABRM
O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O	ZINC000409271855	1066276771	/nfs/dbraw/zinc/27/67/71/1066276771.db2.gz	DEKHGHAMWRFKTN-OMCISZLKSA-N	-1	0	527.299	3.866	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000409273256	1066785199	/nfs/dbraw/zinc/78/51/99/1066785199.db2.gz	JKVVGZYQLJQPBY-DJKKODMXSA-N	-1	0	520.947	3.886	40	0		KHABRM
COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000409275271	1066783854	/nfs/dbraw/zinc/78/38/54/1066783854.db2.gz	SYHXIIBFCLZLEN-RQZCQDPDSA-N	-1	0	521.345	3.596	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)c1OCC(=O)[O-]	ZINC000409276171	1066783423	/nfs/dbraw/zinc/78/34/23/1066783423.db2.gz	OMRINYYNDJPLRR-NVMNQCDNSA-N	-1	0	520.947	3.886	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OCC(=O)[O-]	ZINC000409276893	1066784791	/nfs/dbraw/zinc/78/47/91/1066784791.db2.gz	XRQTXDBGVIPVAG-LZYBPNLTSA-N	-1	0	510.446	3.641	40	0		KHABRM
COc1ccc(Br)cc1N1C(=O)[C@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409292109	1066787913	/nfs/dbraw/zinc/78/79/13/1066787913.db2.gz	ZQOQZLQVMSTLRT-NHCUHLMSSA-N	-1	0	524.323	3.782	40	0		KHABRM
COc1ccc(Br)cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409292111	1066787844	/nfs/dbraw/zinc/78/78/44/1066787844.db2.gz	ZQOQZLQVMSTLRT-OYRHEFFESA-N	-1	0	524.323	3.782	40	0		KHABRM
COc1ccc(Br)cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)=C1[O-]	ZINC000409292113	1066787985	/nfs/dbraw/zinc/78/79/85/1066787985.db2.gz	ZQOQZLQVMSTLRT-SFTDATJTSA-N	-1	0	524.323	3.782	40	0		KHABRM
O=C(OC1=C([O-])N(c2cccc(I)c2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409294937	1066789473	/nfs/dbraw/zinc/78/94/73/1066789473.db2.gz	CKNXOIOYUGTEOK-PMACEKPBSA-N	-1	0	541.297	3.616	40	0		KHABRM
O=C(OC1=C([O-])N(c2cccc(I)c2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409294938	1066789329	/nfs/dbraw/zinc/78/93/29/1066789329.db2.gz	CKNXOIOYUGTEOK-WOJBJXKFSA-N	-1	0	541.297	3.616	40	0		KHABRM
O=C(OC1=C([O-])N(c2ccc(I)cc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409298368	1066278784	/nfs/dbraw/zinc/27/87/84/1066278784.db2.gz	ZFNDSJDNXTVIJA-PMACEKPBSA-N	-1	0	541.297	3.616	40	0		KHABRM
O=C(OC1=C([O-])N(c2ccc(I)cc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409298369	1066791390	/nfs/dbraw/zinc/79/13/90/1066791390.db2.gz	ZFNDSJDNXTVIJA-WOJBJXKFSA-N	-1	0	541.297	3.616	40	0		KHABRM
O=C(OC1=C([O-])N(c2ccccc2I)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409300663	1066790834	/nfs/dbraw/zinc/79/08/34/1066790834.db2.gz	XZJQCESPWTZPAN-PMACEKPBSA-N	-1	0	541.297	3.616	40	0		KHABRM
O=C(OC1=C([O-])N(c2ccccc2I)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409300664	1066279604	/nfs/dbraw/zinc/27/96/04/1066279604.db2.gz	XZJQCESPWTZPAN-WOJBJXKFSA-N	-1	0	541.297	3.616	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c1OCC(=O)[O-]	ZINC000409328295	1066796616	/nfs/dbraw/zinc/79/66/16/1066796616.db2.gz	RNOGFIAWQCORDX-YVLHZVERSA-N	-1	0	535.372	3.986	40	0		KHABRM
COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)c1OCC(=O)[O-]	ZINC000409329658	1066796636	/nfs/dbraw/zinc/79/66/36/1066796636.db2.gz	GTBWZLNUJRJSAI-CXUHLZMHSA-N	-1	0	521.345	3.596	40	0		KHABRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000409329805	1066796720	/nfs/dbraw/zinc/79/67/20/1066796720.db2.gz	GTEGIHIXPDXRTE-UHFFFAOYSA-N	-1	0	580.084	3.731	40	0		KHABRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCC(=O)[O-]	ZINC000409332971	1066795757	/nfs/dbraw/zinc/79/57/57/1066795757.db2.gz	TYZCUQQIBLMOHE-RQZCQDPDSA-N	-1	0	521.345	3.596	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	ZINC000409333052	1066795876	/nfs/dbraw/zinc/79/58/76/1066795876.db2.gz	BLRMBMKASAHKOI-NFYDWNOTSA-N	-1	0	572.595	3.794	40	0		KHABRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(C(=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	ZINC000409333053	1066795777	/nfs/dbraw/zinc/79/57/77/1066795777.db2.gz	BLRMBMKASAHKOI-ZFWDJNJRSA-N	-1	0	572.595	3.794	40	0		KHABRM
COCCCNC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OCc1ccccc1	ZINC000409334801	1066795409	/nfs/dbraw/zinc/79/54/09/1066795409.db2.gz	IUQOZCFXKXGHST-GOSISDBHSA-N	-1	0	638.240	3.592	40	0		KHABRM
COCCCNC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OCc1ccccc1	ZINC000409334808	1066795346	/nfs/dbraw/zinc/79/53/46/1066795346.db2.gz	IUQOZCFXKXGHST-SFHVURJKSA-N	-1	0	638.240	3.592	40	0		KHABRM
O=C([O-])c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1	ZINC000409334844	1066795384	/nfs/dbraw/zinc/79/53/84/1066795384.db2.gz	XVLOGNVZNCESFD-DHDCSXOGSA-N	-1	0	508.293	3.664	40	0		KHABRM
CC[C@H](C)NC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000409336313	1066794816	/nfs/dbraw/zinc/79/48/16/1066794816.db2.gz	NKBQGPDNPLOWQE-HZMBPMFUSA-N	-1	0	588.224	3.952	40	0		KHABRM
CC[C@H](C)NC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000409336315	1066794726	/nfs/dbraw/zinc/79/47/26/1066794726.db2.gz	NKBQGPDNPLOWQE-IINYFYTJSA-N	-1	0	588.224	3.952	40	0		KHABRM
CC[C@@H](C)NC(=O)[C@@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000409336317	1066794901	/nfs/dbraw/zinc/79/49/01/1066794901.db2.gz	NKBQGPDNPLOWQE-QMTHXVAHSA-N	-1	0	588.224	3.952	40	0		KHABRM
CC[C@@H](C)NC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)OC(C)(C)C	ZINC000409336319	1066794796	/nfs/dbraw/zinc/79/47/96/1066794796.db2.gz	NKBQGPDNPLOWQE-YGRLFVJLSA-N	-1	0	588.224	3.952	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000409343371	1066798151	/nfs/dbraw/zinc/79/81/51/1066798151.db2.gz	HBQIYIOOAGEDSC-VCHYOVAHSA-N	-1	0	582.372	3.828	40	0		KHABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c1OCC(=O)[O-]	ZINC000409344415	1066280951	/nfs/dbraw/zinc/28/09/51/1066280951.db2.gz	JKUJOULCXXEDFC-YVLHZVERSA-N	-1	0	582.372	3.828	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)ccc1OCC(=O)[O-]	ZINC000409344420	1066797722	/nfs/dbraw/zinc/79/77/22/1066797722.db2.gz	JEEIFMOFHCQLNR-VCHYOVAHSA-N	-1	0	535.372	3.986	40	0		KHABRM
CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000409350882	1066801941	/nfs/dbraw/zinc/80/19/41/1066801941.db2.gz	USOYALPSJYSQOB-UHFFFAOYSA-N	-1	0	508.387	3.964	40	0		KHABRM
CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000409352490	1066801900	/nfs/dbraw/zinc/80/19/00/1066801900.db2.gz	CWKAWBQYRSFVCF-UHFFFAOYSA-N	-1	0	508.387	3.964	40	0		KHABRM
CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000409353195	1066801209	/nfs/dbraw/zinc/80/12/09/1066801209.db2.gz	YYEMKSLMNIKFQX-UHFFFAOYSA-N	-1	0	508.387	3.964	40	0		KHABRM
CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000409356860	1066282940	/nfs/dbraw/zinc/28/29/40/1066282940.db2.gz	GZBZSEGHDIFONJ-UHFFFAOYSA-N	-1	0	508.387	3.964	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)=O	ZINC000409369876	1066811590	/nfs/dbraw/zinc/81/15/90/1066811590.db2.gz	GUOYDMWJZIBCTO-CLJLJLNGSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409369877	1066283450	/nfs/dbraw/zinc/28/34/50/1066283450.db2.gz	GUOYDMWJZIBCTO-FTJBHMTQSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)=O	ZINC000409369878	1066811650	/nfs/dbraw/zinc/81/16/50/1066811650.db2.gz	GUOYDMWJZIBCTO-IZZNHLLZSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)=O	ZINC000409369879	1066812326	/nfs/dbraw/zinc/81/23/26/1066812326.db2.gz	GUOYDMWJZIBCTO-UIOOFZCWSA-N	-1	0	688.436	3.791	40	0		KHABRM
O=C([O-])COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1I	ZINC000409370233	1066811712	/nfs/dbraw/zinc/81/17/12/1066811712.db2.gz	NGYPADIINSEWFB-NVMNQCDNSA-N	-1	0	704.280	3.980	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1Br	ZINC000409371617	1066810905	/nfs/dbraw/zinc/81/09/05/1066810905.db2.gz	XNEXMTQBJJHDSQ-PMACEKPBSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1Br	ZINC000409371619	1066283557	/nfs/dbraw/zinc/28/35/57/1066283557.db2.gz	XNEXMTQBJJHDSQ-UXHICEINSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1Br	ZINC000409371622	1066283426	/nfs/dbraw/zinc/28/34/26/1066283426.db2.gz	XNEXMTQBJJHDSQ-VQTJNVASSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1Br	ZINC000409371624	1066811143	/nfs/dbraw/zinc/81/11/43/1066811143.db2.gz	XNEXMTQBJJHDSQ-WOJBJXKFSA-N	-1	0	512.312	3.923	40	0		KHABRM
CCc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(OC)c1)[C@@H](OC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000409374839	1066809705	/nfs/dbraw/zinc/80/97/05/1066809705.db2.gz	AJGONLJXKAXABG-BJKOFHAPSA-N	-1	0	521.522	3.741	40	0		KHABRM
CCc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(OC)c1)[C@@H](OC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000409374840	1066809851	/nfs/dbraw/zinc/80/98/51/1066809851.db2.gz	AJGONLJXKAXABG-DNQXCXABSA-N	-1	0	521.522	3.741	40	0		KHABRM
CCc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(OC)c1)[C@H](OC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000409374841	1066809972	/nfs/dbraw/zinc/80/99/72/1066809972.db2.gz	AJGONLJXKAXABG-RPWUZVMVSA-N	-1	0	521.522	3.741	40	0		KHABRM
CCc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(OC)c1)[C@H](OC(=O)c1cccc(OC)c1)C(=O)[O-]	ZINC000409374842	1066809909	/nfs/dbraw/zinc/80/99/09/1066809909.db2.gz	AJGONLJXKAXABG-ZEQRLZLVSA-N	-1	0	521.522	3.741	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1	ZINC000409374971	1066809728	/nfs/dbraw/zinc/80/97/28/1066809728.db2.gz	CKQZAHRFLNIWGW-MOPGFXCFSA-N	-1	0	503.294	3.863	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1	ZINC000409374972	1066809794	/nfs/dbraw/zinc/80/97/94/1066809794.db2.gz	CKQZAHRFLNIWGW-OALUTQOASA-N	-1	0	503.294	3.863	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1	ZINC000409374973	1066809981	/nfs/dbraw/zinc/80/99/81/1066809981.db2.gz	CKQZAHRFLNIWGW-RBUKOAKNSA-N	-1	0	503.294	3.863	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccnc1	ZINC000409374974	1066809962	/nfs/dbraw/zinc/80/99/62/1066809962.db2.gz	CKQZAHRFLNIWGW-RTBURBONSA-N	-1	0	503.294	3.863	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2Cl)c1	ZINC000409375172	1066809278	/nfs/dbraw/zinc/80/92/78/1066809278.db2.gz	GRVHYDWYXIRAGB-FCHUYYIVSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2Cl)c1	ZINC000409375173	1066809181	/nfs/dbraw/zinc/80/91/81/1066809181.db2.gz	GRVHYDWYXIRAGB-FGZHOGPDSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2Cl)c1	ZINC000409375174	1066809157	/nfs/dbraw/zinc/80/91/57/1066809157.db2.gz	GRVHYDWYXIRAGB-VXKWHMMOSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2Cl)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409375175	1066809293	/nfs/dbraw/zinc/80/92/93/1066809293.db2.gz	GRVHYDWYXIRAGB-YADHBBJMSA-N	-1	0	527.913	3.832	40	0		KHABRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000409375293	1066808853	/nfs/dbraw/zinc/80/88/53/1066808853.db2.gz	IMWLFOVIHBHKSI-JAIQZWGSSA-N	-1	0	530.986	3.823	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccn1	ZINC000409375330	1066808656	/nfs/dbraw/zinc/80/86/56/1066808656.db2.gz	JFBHRWKWOUXUPG-PMACEKPBSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccn1	ZINC000409375331	1066808740	/nfs/dbraw/zinc/80/87/40/1066808740.db2.gz	JFBHRWKWOUXUPG-UXHICEINSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccn1	ZINC000409375332	1066809201	/nfs/dbraw/zinc/80/92/01/1066809201.db2.gz	JFBHRWKWOUXUPG-VQTJNVASSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccn1	ZINC000409375333	1066809285	/nfs/dbraw/zinc/80/92/85/1066809285.db2.gz	JFBHRWKWOUXUPG-WOJBJXKFSA-N	-1	0	517.321	3.540	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc(Br)ccc2OC)c1	ZINC000409375420	1066809213	/nfs/dbraw/zinc/80/92/13/1066809213.db2.gz	KLYWXWMQPVHGAD-DHIUTWEWSA-N	-1	0	602.390	3.949	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc(Br)ccc2OC)c1	ZINC000409375421	1066809267	/nfs/dbraw/zinc/80/92/67/1066809267.db2.gz	KLYWXWMQPVHGAD-GOTSBHOMSA-N	-1	0	602.390	3.949	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2cc(Br)ccc2OC)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409375422	1066809322	/nfs/dbraw/zinc/80/93/22/1066809322.db2.gz	KLYWXWMQPVHGAD-PKTZIBPZSA-N	-1	0	602.390	3.949	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc(Br)ccc2OC)c1	ZINC000409375423	1066809251	/nfs/dbraw/zinc/80/92/51/1066809251.db2.gz	KLYWXWMQPVHGAD-XZOQPEGZSA-N	-1	0	602.390	3.949	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2I)ccc1OC(C)=O	ZINC000409375726	1066808642	/nfs/dbraw/zinc/80/86/42/1066808642.db2.gz	OMEZXCYPUHNERT-CLJLJLNGSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2I)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409375727	1066808773	/nfs/dbraw/zinc/80/87/73/1066808773.db2.gz	OMEZXCYPUHNERT-FTJBHMTQSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2I)ccc1OC(C)=O	ZINC000409375728	1066808736	/nfs/dbraw/zinc/80/87/36/1066808736.db2.gz	OMEZXCYPUHNERT-IZZNHLLZSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2I)ccc1OC(C)=O	ZINC000409375729	1066808810	/nfs/dbraw/zinc/80/88/10/1066808810.db2.gz	OMEZXCYPUHNERT-UIOOFZCWSA-N	-1	0	735.436	3.633	40	0		KHABRM
CCOc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1	ZINC000409375977	1066808795	/nfs/dbraw/zinc/80/87/95/1066808795.db2.gz	RPOHTLFOKQRVEH-BJKOFHAPSA-N	-1	0	537.521	3.577	40	0		KHABRM
CCOc1ccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1	ZINC000409375978	1066808623	/nfs/dbraw/zinc/80/86/23/1066808623.db2.gz	RPOHTLFOKQRVEH-DNQXCXABSA-N	-1	0	537.521	3.577	40	0		KHABRM
CCOc1ccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1	ZINC000409375979	1066808763	/nfs/dbraw/zinc/80/87/63/1066808763.db2.gz	RPOHTLFOKQRVEH-RPWUZVMVSA-N	-1	0	537.521	3.577	40	0		KHABRM
CCOc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1	ZINC000409375980	1066808829	/nfs/dbraw/zinc/80/88/29/1066808829.db2.gz	RPOHTLFOKQRVEH-ZEQRLZLVSA-N	-1	0	537.521	3.577	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2Br)c1	ZINC000409376239	1066808264	/nfs/dbraw/zinc/80/82/64/1066808264.db2.gz	WFOVHHGWAYYTQI-FCHUYYIVSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2Br)c1	ZINC000409376240	1066808202	/nfs/dbraw/zinc/80/82/02/1066808202.db2.gz	WFOVHHGWAYYTQI-FGZHOGPDSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2Br)c1	ZINC000409376241	1066808785	/nfs/dbraw/zinc/80/87/85/1066808785.db2.gz	WFOVHHGWAYYTQI-VXKWHMMOSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2Br)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409376242	1066808875	/nfs/dbraw/zinc/80/88/75/1066808875.db2.gz	WFOVHHGWAYYTQI-YADHBBJMSA-N	-1	0	572.364	3.941	40	0		KHABRM
Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(N(C)C)cc2)c1	ZINC000409376371	1066808242	/nfs/dbraw/zinc/80/82/42/1066808242.db2.gz	AIFAAKAFTAFBOC-BJKOFHAPSA-N	-1	0	504.539	3.844	40	0		KHABRM
Cc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(N(C)C)cc2)c1	ZINC000409376373	1066808070	/nfs/dbraw/zinc/80/80/70/1066808070.db2.gz	AIFAAKAFTAFBOC-DNQXCXABSA-N	-1	0	504.539	3.844	40	0		KHABRM
Cc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409376376	1066282842	/nfs/dbraw/zinc/28/28/42/1066282842.db2.gz	AIFAAKAFTAFBOC-RPWUZVMVSA-N	-1	0	504.539	3.844	40	0		KHABRM
Cc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(N(C)C)cc2)c1	ZINC000409376378	1066808232	/nfs/dbraw/zinc/80/82/32/1066808232.db2.gz	AIFAAKAFTAFBOC-ZEQRLZLVSA-N	-1	0	504.539	3.844	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1	ZINC000409376393	1066808174	/nfs/dbraw/zinc/80/81/74/1066808174.db2.gz	AMXDKVHDBSESEG-PMACEKPBSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1	ZINC000409376395	1066808238	/nfs/dbraw/zinc/80/82/38/1066808238.db2.gz	AMXDKVHDBSESEG-UXHICEINSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1	ZINC000409376397	1066808062	/nfs/dbraw/zinc/80/80/62/1066808062.db2.gz	AMXDKVHDBSESEG-VQTJNVASSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(Br)c1	ZINC000409376399	1066808163	/nfs/dbraw/zinc/80/81/63/1066808163.db2.gz	AMXDKVHDBSESEG-WOJBJXKFSA-N	-1	0	512.312	3.923	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2C)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409376922	1066807654	/nfs/dbraw/zinc/80/76/54/1066807654.db2.gz	BXSNVJBCTWHCDN-IZLXSDGUSA-N	-1	0	637.594	3.646	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)cc2C)ccc1OC(C)=O	ZINC000409376923	1066284348	/nfs/dbraw/zinc/28/43/48/1066284348.db2.gz	BXSNVJBCTWHCDN-NSOVKSMOSA-N	-1	0	637.594	3.646	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)cc2C)ccc1OC(C)=O	ZINC000409376924	1066807476	/nfs/dbraw/zinc/80/74/76/1066807476.db2.gz	BXSNVJBCTWHCDN-VSGBNLITSA-N	-1	0	637.594	3.646	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)cc2C)ccc1OC(C)=O	ZINC000409376925	1066808084	/nfs/dbraw/zinc/80/80/84/1066808084.db2.gz	BXSNVJBCTWHCDN-WUFINQPMSA-N	-1	0	637.594	3.646	40	0		KHABRM
O=C([O-])COc1c(Br)cc(I)cc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O	ZINC000409376958	1066808095	/nfs/dbraw/zinc/80/80/95/1066808095.db2.gz	CSKVLLGMFWUVBA-AUWJEWJLSA-N	-1	0	609.236	3.566	40	0		KHABRM
O=C([O-])COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1Br	ZINC000409377020	1066808210	/nfs/dbraw/zinc/80/82/10/1066808210.db2.gz	FDWMMEZSOPQCEM-ZSOIEALJSA-N	-1	0	517.785	3.615	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)=O	ZINC000409377073	1066807677	/nfs/dbraw/zinc/80/76/77/1066807677.db2.gz	GBUJHORGDQGBMG-CLJLJLNGSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409377074	1066807698	/nfs/dbraw/zinc/80/76/98/1066807698.db2.gz	GBUJHORGDQGBMG-FTJBHMTQSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)=O	ZINC000409377075	1066807531	/nfs/dbraw/zinc/80/75/31/1066807531.db2.gz	GBUJHORGDQGBMG-IZZNHLLZSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)=O	ZINC000409377076	1066807415	/nfs/dbraw/zinc/80/74/15/1066807415.db2.gz	GBUJHORGDQGBMG-UIOOFZCWSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409377547	1066813442	/nfs/dbraw/zinc/81/34/42/1066813442.db2.gz	IGQKECLRSHOXQQ-BJKOFHAPSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409377548	1066814033	/nfs/dbraw/zinc/81/40/33/1066814033.db2.gz	IGQKECLRSHOXQQ-DNQXCXABSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409377549	1066284082	/nfs/dbraw/zinc/28/40/82/1066284082.db2.gz	IGQKECLRSHOXQQ-RPWUZVMVSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409377550	1066813911	/nfs/dbraw/zinc/81/39/11/1066813911.db2.gz	IGQKECLRSHOXQQ-ZEQRLZLVSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000409377863	1066813339	/nfs/dbraw/zinc/81/33/39/1066813339.db2.gz	LSCKPLPCIFXMSB-LEWJYISDSA-N	-1	0	542.338	3.932	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000409377864	1066284066	/nfs/dbraw/zinc/28/40/66/1066284066.db2.gz	LSCKPLPCIFXMSB-NHCUHLMSSA-N	-1	0	542.338	3.932	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000409377865	1066813289	/nfs/dbraw/zinc/81/32/89/1066813289.db2.gz	LSCKPLPCIFXMSB-RTWAWAEBSA-N	-1	0	542.338	3.932	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000409377866	1066813310	/nfs/dbraw/zinc/81/33/10/1066813310.db2.gz	LSCKPLPCIFXMSB-SFTDATJTSA-N	-1	0	542.338	3.932	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409378033	1066813390	/nfs/dbraw/zinc/81/33/90/1066813390.db2.gz	LUEOGWXBVQHLQN-BJKOFHAPSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409378035	1066813305	/nfs/dbraw/zinc/81/33/05/1066813305.db2.gz	LUEOGWXBVQHLQN-DNQXCXABSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409378037	1066197192	/nfs/dbraw/zinc/19/71/92/1066197192.db2.gz	LUEOGWXBVQHLQN-RPWUZVMVSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409378039	1066813396	/nfs/dbraw/zinc/81/33/96/1066813396.db2.gz	LUEOGWXBVQHLQN-ZEQRLZLVSA-N	-1	0	533.533	3.954	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000409378275	1066812945	/nfs/dbraw/zinc/81/29/45/1066812945.db2.gz	OLQVKTCEFGYOFG-DHIUTWEWSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000409378276	1066812897	/nfs/dbraw/zinc/81/28/97/1066812897.db2.gz	OLQVKTCEFGYOFG-GOTSBHOMSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000409378277	1066284238	/nfs/dbraw/zinc/28/42/38/1066284238.db2.gz	OLQVKTCEFGYOFG-PKTZIBPZSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)[O-]	ZINC000409378278	1066812918	/nfs/dbraw/zinc/81/29/18/1066812918.db2.gz	OLQVKTCEFGYOFG-XZOQPEGZSA-N	-1	0	519.506	3.564	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2Br)ccc1OC(C)=O	ZINC000409378318	1066812834	/nfs/dbraw/zinc/81/28/34/1066812834.db2.gz	NUWGRPZGXKQSFL-CLJLJLNGSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2Br)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409378319	1066812725	/nfs/dbraw/zinc/81/27/25/1066812725.db2.gz	NUWGRPZGXKQSFL-FTJBHMTQSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2Br)ccc1OC(C)=O	ZINC000409378320	1066812865	/nfs/dbraw/zinc/81/28/65/1066812865.db2.gz	NUWGRPZGXKQSFL-IZZNHLLZSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2Br)ccc1OC(C)=O	ZINC000409378321	1066812735	/nfs/dbraw/zinc/81/27/35/1066812735.db2.gz	NUWGRPZGXKQSFL-UIOOFZCWSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(I)cc2)c1	ZINC000409379081	1066812127	/nfs/dbraw/zinc/81/21/27/1066812127.db2.gz	VENLKUCMGVQKRG-FCHUYYIVSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(I)cc2)c1	ZINC000409379082	1066284824	/nfs/dbraw/zinc/28/48/24/1066284824.db2.gz	VENLKUCMGVQKRG-FGZHOGPDSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(I)cc2)c1	ZINC000409379083	1066812321	/nfs/dbraw/zinc/81/23/21/1066812321.db2.gz	VENLKUCMGVQKRG-VXKWHMMOSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(I)cc2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409379084	1066812311	/nfs/dbraw/zinc/81/23/11/1066812311.db2.gz	VENLKUCMGVQKRG-YADHBBJMSA-N	-1	0	619.364	3.783	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409379110	1066812310	/nfs/dbraw/zinc/81/23/10/1066812310.db2.gz	UIBWEODFDQTFPS-DHIUTWEWSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409379111	1066812176	/nfs/dbraw/zinc/81/21/76/1066812176.db2.gz	UIBWEODFDQTFPS-GOTSBHOMSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409379112	1066284998	/nfs/dbraw/zinc/28/49/98/1066284998.db2.gz	UIBWEODFDQTFPS-PKTZIBPZSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])c1	ZINC000409379113	1066812226	/nfs/dbraw/zinc/81/22/26/1066812226.db2.gz	UIBWEODFDQTFPS-XZOQPEGZSA-N	-1	0	519.506	3.564	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409379127	1066812907	/nfs/dbraw/zinc/81/29/07/1066812907.db2.gz	UOBUWOVWMQITEX-GRSHGNNSSA-N	-1	0	561.410	3.542	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(Br)c2)c1	ZINC000409379506	1066820808	/nfs/dbraw/zinc/82/08/08/1066820808.db2.gz	WWZDTEYKOOIIEN-FCHUYYIVSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(Br)c2)c1	ZINC000409379507	1066821435	/nfs/dbraw/zinc/82/14/35/1066821435.db2.gz	WWZDTEYKOOIIEN-FGZHOGPDSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(Br)c2)c1	ZINC000409379508	1066821257	/nfs/dbraw/zinc/82/12/57/1066821257.db2.gz	WWZDTEYKOOIIEN-VXKWHMMOSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409379509	1066821365	/nfs/dbraw/zinc/82/13/65/1066821365.db2.gz	WWZDTEYKOOIIEN-YADHBBJMSA-N	-1	0	572.364	3.941	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1I	ZINC000409379634	1066820882	/nfs/dbraw/zinc/82/08/82/1066820882.db2.gz	YWXIOHAHTJFTCE-PMACEKPBSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1I	ZINC000409379635	1066820768	/nfs/dbraw/zinc/82/07/68/1066820768.db2.gz	YWXIOHAHTJFTCE-UXHICEINSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1I	ZINC000409379636	1066820684	/nfs/dbraw/zinc/82/06/84/1066820684.db2.gz	YWXIOHAHTJFTCE-VQTJNVASSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccccc1I	ZINC000409379637	1066820781	/nfs/dbraw/zinc/82/07/81/1066820781.db2.gz	YWXIOHAHTJFTCE-WOJBJXKFSA-N	-1	0	559.312	3.766	40	0		KHABRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409380044	1066820898	/nfs/dbraw/zinc/82/08/98/1066820898.db2.gz	GJIBKJWSQQHRDW-JAIQZWGSSA-N	-1	0	575.437	3.932	40	0		KHABRM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409380112	1066820252	/nfs/dbraw/zinc/82/02/52/1066820252.db2.gz	IEZJJMCYFQZCNC-UKWGHVSLSA-N	-1	0	561.410	3.542	40	0		KHABRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409380573	1066819817	/nfs/dbraw/zinc/81/98/17/1066819817.db2.gz	NTDQFDQAMBLMEP-FBHDLOMBSA-N	-1	0	575.437	3.932	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2Cl)ccc1OC(C)=O	ZINC000409380680	1066820269	/nfs/dbraw/zinc/82/02/69/1066820269.db2.gz	PNQILHYYWLXHBG-CLJLJLNGSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2Cl)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409380682	1066820243	/nfs/dbraw/zinc/82/02/43/1066820243.db2.gz	PNQILHYYWLXHBG-FTJBHMTQSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(Cl)c2)c1	ZINC000409380807	1066284875	/nfs/dbraw/zinc/28/48/75/1066284875.db2.gz	AREVTZNTTTXPNJ-FCHUYYIVSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(Cl)c2)c1	ZINC000409380809	1066284985	/nfs/dbraw/zinc/28/49/85/1066284985.db2.gz	AREVTZNTTTXPNJ-FGZHOGPDSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(Cl)c2)c1	ZINC000409380811	1066819827	/nfs/dbraw/zinc/81/98/27/1066819827.db2.gz	AREVTZNTTTXPNJ-VXKWHMMOSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409380813	1066819754	/nfs/dbraw/zinc/81/97/54/1066819754.db2.gz	AREVTZNTTTXPNJ-YADHBBJMSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2Cl)ccc1OC(C)=O	ZINC000409380837	1066819809	/nfs/dbraw/zinc/81/98/09/1066819809.db2.gz	PNQILHYYWLXHBG-IZZNHLLZSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2Cl)ccc1OC(C)=O	ZINC000409380840	1066819813	/nfs/dbraw/zinc/81/98/13/1066819813.db2.gz	PNQILHYYWLXHBG-UIOOFZCWSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(I)cc2)ccc1OC(C)=O	ZINC000409380951	1066819750	/nfs/dbraw/zinc/81/97/50/1066819750.db2.gz	CJHXMRAVLVWJHC-CLJLJLNGSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(I)cc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409380954	1066819822	/nfs/dbraw/zinc/81/98/22/1066819822.db2.gz	CJHXMRAVLVWJHC-FTJBHMTQSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(I)cc2)ccc1OC(C)=O	ZINC000409380957	1066819787	/nfs/dbraw/zinc/81/97/87/1066819787.db2.gz	CJHXMRAVLVWJHC-IZZNHLLZSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(I)cc2)ccc1OC(C)=O	ZINC000409380961	1066819831	/nfs/dbraw/zinc/81/98/31/1066819831.db2.gz	CJHXMRAVLVWJHC-UIOOFZCWSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O	ZINC000409381011	1066819312	/nfs/dbraw/zinc/81/93/12/1066819312.db2.gz	QTXQSKZERJDJOW-CLJLJLNGSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2cccc(I)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409381013	1066819133	/nfs/dbraw/zinc/81/91/33/1066819133.db2.gz	QTXQSKZERJDJOW-FTJBHMTQSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O	ZINC000409381015	1066819235	/nfs/dbraw/zinc/81/92/35/1066819235.db2.gz	QTXQSKZERJDJOW-IZZNHLLZSA-N	-1	0	735.436	3.633	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(I)c2)ccc1OC(C)=O	ZINC000409381017	1066819211	/nfs/dbraw/zinc/81/92/11/1066819211.db2.gz	QTXQSKZERJDJOW-UIOOFZCWSA-N	-1	0	735.436	3.633	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(I)c1	ZINC000409381129	1066283520	/nfs/dbraw/zinc/28/35/20/1066283520.db2.gz	FNSHRPRCEAWJAA-PMACEKPBSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(I)c1	ZINC000409381130	1066819290	/nfs/dbraw/zinc/81/92/90/1066819290.db2.gz	FNSHRPRCEAWJAA-UXHICEINSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(I)c1	ZINC000409381131	1066819218	/nfs/dbraw/zinc/81/92/18/1066819218.db2.gz	FNSHRPRCEAWJAA-VQTJNVASSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1cccc(I)c1	ZINC000409381132	1066819183	/nfs/dbraw/zinc/81/91/83/1066819183.db2.gz	FNSHRPRCEAWJAA-WOJBJXKFSA-N	-1	0	559.312	3.766	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2I)c1	ZINC000409381304	1066818666	/nfs/dbraw/zinc/81/86/66/1066818666.db2.gz	FGHJSDBDYVLHBG-FCHUYYIVSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2I)c1	ZINC000409381307	1066818705	/nfs/dbraw/zinc/81/87/05/1066818705.db2.gz	FGHJSDBDYVLHBG-FGZHOGPDSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2I)c1	ZINC000409381311	1066819246	/nfs/dbraw/zinc/81/92/46/1066819246.db2.gz	FGHJSDBDYVLHBG-VXKWHMMOSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2I)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409381315	1066819302	/nfs/dbraw/zinc/81/93/02/1066819302.db2.gz	FGHJSDBDYVLHBG-YADHBBJMSA-N	-1	0	619.364	3.783	40	0		KHABRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409381360	1066819174	/nfs/dbraw/zinc/81/91/74/1066819174.db2.gz	GKPVCIPMPKPNJZ-JAIQZWGSSA-N	-1	0	622.437	3.775	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1	ZINC000409381446	1066818565	/nfs/dbraw/zinc/81/85/65/1066818565.db2.gz	GZXMQWBHHNVOHF-PMACEKPBSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1	ZINC000409381450	1066818712	/nfs/dbraw/zinc/81/87/12/1066818712.db2.gz	GZXMQWBHHNVOHF-UXHICEINSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1	ZINC000409381453	1066818688	/nfs/dbraw/zinc/81/86/88/1066818688.db2.gz	GZXMQWBHHNVOHF-VQTJNVASSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccccn1	ZINC000409381455	1066818577	/nfs/dbraw/zinc/81/85/77/1066818577.db2.gz	GZXMQWBHHNVOHF-WOJBJXKFSA-N	-1	0	517.321	3.540	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1	ZINC000409381457	1066818720	/nfs/dbraw/zinc/81/87/20/1066818720.db2.gz	MLABIDWVMLJTMP-MOPGFXCFSA-N	-1	0	503.294	3.863	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1	ZINC000409381460	1066818616	/nfs/dbraw/zinc/81/86/16/1066818616.db2.gz	MLABIDWVMLJTMP-OALUTQOASA-N	-1	0	503.294	3.863	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1	ZINC000409381463	1066818661	/nfs/dbraw/zinc/81/86/61/1066818661.db2.gz	MLABIDWVMLJTMP-RBUKOAKNSA-N	-1	0	503.294	3.863	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccnc1	ZINC000409381464	1066818644	/nfs/dbraw/zinc/81/86/44/1066818644.db2.gz	MLABIDWVMLJTMP-RTBURBONSA-N	-1	0	503.294	3.863	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Cl)cc2)c1	ZINC000409381614	1066818607	/nfs/dbraw/zinc/81/86/07/1066818607.db2.gz	IBPNQMVCJWFYOW-FCHUYYIVSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Cl)cc2)c1	ZINC000409381617	1066818635	/nfs/dbraw/zinc/81/86/35/1066818635.db2.gz	IBPNQMVCJWFYOW-FGZHOGPDSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Cl)cc2)c1	ZINC000409381620	1066818675	/nfs/dbraw/zinc/81/86/75/1066818675.db2.gz	IBPNQMVCJWFYOW-VXKWHMMOSA-N	-1	0	527.913	3.832	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409381621	195512238	/nfs/dbraw/zinc/51/22/38/195512238.db2.gz	IBPNQMVCJWFYOW-YADHBBJMSA-N	-1	0	527.913	3.832	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409381921	1066818733	/nfs/dbraw/zinc/81/87/33/1066818733.db2.gz	OZRRARYVCYHPQL-DHIUTWEWSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409381922	1066818692	/nfs/dbraw/zinc/81/86/92/1066818692.db2.gz	OZRRARYVCYHPQL-GOTSBHOMSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409381923	195513409	/nfs/dbraw/zinc/51/34/09/195513409.db2.gz	OZRRARYVCYHPQL-PKTZIBPZSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409381924	1066818625	/nfs/dbraw/zinc/81/86/25/1066818625.db2.gz	OZRRARYVCYHPQL-XZOQPEGZSA-N	-1	0	519.506	3.564	40	0		KHABRM
Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(N(C)C)cc2)cc1	ZINC000409382016	1066818131	/nfs/dbraw/zinc/81/81/31/1066818131.db2.gz	JVIVYGGJRWYTSN-BJKOFHAPSA-N	-1	0	504.539	3.844	40	0		KHABRM
Cc1ccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(N(C)C)cc2)cc1	ZINC000409382018	195513706	/nfs/dbraw/zinc/51/37/06/195513706.db2.gz	JVIVYGGJRWYTSN-DNQXCXABSA-N	-1	0	504.539	3.844	40	0		KHABRM
Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H](OC(=O)c2ccc(C)cc2)C(=O)[O-])cc1	ZINC000409382020	1066818093	/nfs/dbraw/zinc/81/80/93/1066818093.db2.gz	JVIVYGGJRWYTSN-RPWUZVMVSA-N	-1	0	504.539	3.844	40	0		KHABRM
Cc1ccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(N(C)C)cc2)cc1	ZINC000409382021	1066283664	/nfs/dbraw/zinc/28/36/64/1066283664.db2.gz	JVIVYGGJRWYTSN-ZEQRLZLVSA-N	-1	0	504.539	3.844	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2)c1	ZINC000409382066	1066818160	/nfs/dbraw/zinc/81/81/60/1066818160.db2.gz	XQFOAXDJUWBMKP-FCHUYYIVSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2)c1	ZINC000409382069	1066818007	/nfs/dbraw/zinc/81/80/07/1066818007.db2.gz	XQFOAXDJUWBMKP-FGZHOGPDSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(Br)cc2)c1	ZINC000409382071	1066818077	/nfs/dbraw/zinc/81/80/77/1066818077.db2.gz	XQFOAXDJUWBMKP-VXKWHMMOSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(Br)cc2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409382074	1066818015	/nfs/dbraw/zinc/81/80/15/1066818015.db2.gz	XQFOAXDJUWBMKP-YADHBBJMSA-N	-1	0	572.364	3.941	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)c(C)c2)c1	ZINC000409382501	1066817263	/nfs/dbraw/zinc/81/72/63/1066817263.db2.gz	NTYVDQSLKCWXBO-BJKOFHAPSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)c(C)c2)c1	ZINC000409382502	1066817987	/nfs/dbraw/zinc/81/79/87/1066817987.db2.gz	NTYVDQSLKCWXBO-DNQXCXABSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)c(C)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409382503	1066818069	/nfs/dbraw/zinc/81/80/69/1066818069.db2.gz	NTYVDQSLKCWXBO-RPWUZVMVSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)c(C)c2)c1	ZINC000409382504	1066818085	/nfs/dbraw/zinc/81/80/85/1066818085.db2.gz	NTYVDQSLKCWXBO-ZEQRLZLVSA-N	-1	0	521.522	3.795	40	0		KHABRM
O=C([O-])COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br	ZINC000409382969	1066817292	/nfs/dbraw/zinc/81/72/92/1066817292.db2.gz	PQCWRRXGHVMTFI-GRSHGNNSSA-N	-1	0	531.384	3.534	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(Br)c2)ccc1OC(C)=O	ZINC000409383330	1066817460	/nfs/dbraw/zinc/81/74/60/1066817460.db2.gz	WERDIXYUVIQLQE-CLJLJLNGSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2cccc(Br)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409383332	1066817353	/nfs/dbraw/zinc/81/73/53/1066817353.db2.gz	WERDIXYUVIQLQE-FTJBHMTQSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(Br)c2)ccc1OC(C)=O	ZINC000409383334	1066817454	/nfs/dbraw/zinc/81/74/54/1066817454.db2.gz	WERDIXYUVIQLQE-IZZNHLLZSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(Br)c2)ccc1OC(C)=O	ZINC000409383336	1066284136	/nfs/dbraw/zinc/28/41/36/1066284136.db2.gz	WERDIXYUVIQLQE-UIOOFZCWSA-N	-1	0	688.436	3.791	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)c(C)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409384123	1066814071	/nfs/dbraw/zinc/81/40/71/1066814071.db2.gz	BFWYAKOKHFNZJN-IZLXSDGUSA-N	-1	0	637.594	3.646	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(C)=O	ZINC000409384124	1066814082	/nfs/dbraw/zinc/81/40/82/1066814082.db2.gz	BFWYAKOKHFNZJN-NSOVKSMOSA-N	-1	0	637.594	3.646	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(C)=O	ZINC000409384125	1066813952	/nfs/dbraw/zinc/81/39/52/1066813952.db2.gz	BFWYAKOKHFNZJN-VSGBNLITSA-N	-1	0	637.594	3.646	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)c(C)c2)ccc1OC(C)=O	ZINC000409384126	1066813874	/nfs/dbraw/zinc/81/38/74/1066813874.db2.gz	BFWYAKOKHFNZJN-WUFINQPMSA-N	-1	0	637.594	3.646	40	0		KHABRM
CCc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409384510	1066816897	/nfs/dbraw/zinc/81/68/97/1066816897.db2.gz	CKOZAIUOIRAPQK-IZLXSDGUSA-N	-1	0	637.594	3.591	40	0		KHABRM
CCc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409384512	1066816896	/nfs/dbraw/zinc/81/68/96/1066816896.db2.gz	CKOZAIUOIRAPQK-NSOVKSMOSA-N	-1	0	637.594	3.591	40	0		KHABRM
CCc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409384514	1066816923	/nfs/dbraw/zinc/81/69/23/1066816923.db2.gz	CKOZAIUOIRAPQK-VSGBNLITSA-N	-1	0	637.594	3.591	40	0		KHABRM
CCc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409384516	1066816822	/nfs/dbraw/zinc/81/68/22/1066816822.db2.gz	CKOZAIUOIRAPQK-WUFINQPMSA-N	-1	0	637.594	3.591	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccco1	ZINC000409384656	1066816215	/nfs/dbraw/zinc/81/62/15/1066816215.db2.gz	DLLQQSHZXHNJBU-MOPGFXCFSA-N	-1	0	506.294	3.738	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccco1	ZINC000409384658	1066816151	/nfs/dbraw/zinc/81/61/51/1066816151.db2.gz	DLLQQSHZXHNJBU-OALUTQOASA-N	-1	0	506.294	3.738	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccco1	ZINC000409384661	1066816235	/nfs/dbraw/zinc/81/62/35/1066816235.db2.gz	DLLQQSHZXHNJBU-RBUKOAKNSA-N	-1	0	506.294	3.738	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)NCc1ccco1	ZINC000409384664	1066816225	/nfs/dbraw/zinc/81/62/25/1066816225.db2.gz	DLLQQSHZXHNJBU-RTBURBONSA-N	-1	0	506.294	3.738	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409385199	1066816327	/nfs/dbraw/zinc/81/63/27/1066816327.db2.gz	IBEOZXGHWJIIPD-BJKOFHAPSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409385203	1066816304	/nfs/dbraw/zinc/81/63/04/1066816304.db2.gz	IBEOZXGHWJIIPD-DNQXCXABSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409385206	1066284423	/nfs/dbraw/zinc/28/44/23/1066284423.db2.gz	IBEOZXGHWJIIPD-RPWUZVMVSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409385210	1066816293	/nfs/dbraw/zinc/81/62/93/1066816293.db2.gz	IBEOZXGHWJIIPD-ZEQRLZLVSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409385396	1066284169	/nfs/dbraw/zinc/28/41/69/1066284169.db2.gz	KQHXTSSBTUSTJN-ZDLGFXPLSA-N	-1	0	570.352	3.859	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409385556	1066815713	/nfs/dbraw/zinc/81/57/13/1066815713.db2.gz	LHDJOMGKAVETJS-REZTVBANSA-N	-1	0	540.344	3.927	40	0		KHABRM
O=C([O-])COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I	ZINC000409385840	1066815743	/nfs/dbraw/zinc/81/57/43/1066815743.db2.gz	KFAMZODMPUPXHU-ZSOIEALJSA-N	-1	0	609.236	3.566	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409386152	1066815152	/nfs/dbraw/zinc/81/51/52/1066815152.db2.gz	LJFCRAUZIVGHCH-KAYWLYCHSA-N	-1	0	718.462	3.800	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409386157	1066814961	/nfs/dbraw/zinc/81/49/61/1066814961.db2.gz	LJFCRAUZIVGHCH-RRPNLBNLSA-N	-1	0	718.462	3.800	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409386162	1066814949	/nfs/dbraw/zinc/81/49/49/1066814949.db2.gz	LJFCRAUZIVGHCH-SVBPBHIXSA-N	-1	0	718.462	3.800	40	0		KHABRM
COc1ccc(Br)cc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-]	ZINC000409386166	1066815066	/nfs/dbraw/zinc/81/50/66/1066815066.db2.gz	LJFCRAUZIVGHCH-SXOMAYOGSA-N	-1	0	718.462	3.800	40	0		KHABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000409386335	1066815126	/nfs/dbraw/zinc/81/51/26/1066815126.db2.gz	SJILXSZRGOCHBW-ZDLGFXPLSA-N	-1	0	525.901	3.750	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000409386578	1066814499	/nfs/dbraw/zinc/81/44/99/1066814499.db2.gz	NBMMYODJIFLFIB-DHIUTWEWSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000409386579	1066814576	/nfs/dbraw/zinc/81/45/76/1066814576.db2.gz	NBMMYODJIFLFIB-GOTSBHOMSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000409386580	1066285166	/nfs/dbraw/zinc/28/51/66/1066285166.db2.gz	NBMMYODJIFLFIB-PKTZIBPZSA-N	-1	0	519.506	3.564	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1	ZINC000409386911	1066814588	/nfs/dbraw/zinc/81/45/88/1066814588.db2.gz	ONBSSWRHHVUIAI-PMACEKPBSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1	ZINC000409386912	1066814553	/nfs/dbraw/zinc/81/45/53/1066814553.db2.gz	ONBSSWRHHVUIAI-UXHICEINSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1	ZINC000409386914	1066285023	/nfs/dbraw/zinc/28/50/23/1066285023.db2.gz	ONBSSWRHHVUIAI-VQTJNVASSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(I)cc1	ZINC000409386915	1066814522	/nfs/dbraw/zinc/81/45/22/1066814522.db2.gz	ONBSSWRHHVUIAI-WOJBJXKFSA-N	-1	0	559.312	3.766	40	0		KHABRM
O=C(CN1C(=O)S/C(=C\c2cc(Br)c([O-])c(I)c2)C1=O)N1CCCCC1	ZINC000409386975	1066327825	/nfs/dbraw/zinc/32/78/25/1066327825.db2.gz	PIARXPXBIIOAQY-JYRVWZFOSA-N	-1	0	551.200	3.808	40	0		KHABRM
COC(=O)c1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000409387015	1066814062	/nfs/dbraw/zinc/81/40/62/1066814062.db2.gz	NBMMYODJIFLFIB-XZOQPEGZSA-N	-1	0	519.506	3.564	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)o1	ZINC000409387082	1066814537	/nfs/dbraw/zinc/81/45/37/1066814537.db2.gz	SYZTXRBSJIXSDV-MKMNVTDBSA-N	-1	0	669.187	3.975	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(OCC(=O)[O-])cc3Br)C2=O)o1	ZINC000409387134	1066814041	/nfs/dbraw/zinc/81/40/41/1066814041.db2.gz	UBOYMBKZMGQNEI-OMCISZLKSA-N	-1	0	526.317	3.537	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409387370	1066825045	/nfs/dbraw/zinc/82/50/45/1066825045.db2.gz	WBIMACVBGFPPBQ-LZYBPNLTSA-N	-1	0	540.344	3.927	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)cc2C)c1	ZINC000409387525	1066825123	/nfs/dbraw/zinc/82/51/23/1066825123.db2.gz	RHWVTIRFWIJKSE-BJKOFHAPSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)cc2C)c1	ZINC000409387529	1066824986	/nfs/dbraw/zinc/82/49/86/1066824986.db2.gz	RHWVTIRFWIJKSE-DNQXCXABSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2C)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409387533	1066825055	/nfs/dbraw/zinc/82/50/55/1066825055.db2.gz	RHWVTIRFWIJKSE-RPWUZVMVSA-N	-1	0	521.522	3.795	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)cc2C)c1	ZINC000409387538	1066825148	/nfs/dbraw/zinc/82/51/48/1066825148.db2.gz	RHWVTIRFWIJKSE-ZEQRLZLVSA-N	-1	0	521.522	3.795	40	0		KHABRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1OCC(=O)[O-]	ZINC000409387635	1066285089	/nfs/dbraw/zinc/28/50/89/1066285089.db2.gz	XJPGYPTVQRJWHS-LZYBPNLTSA-N	-1	0	587.344	3.769	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(I)c2)c1	ZINC000409387798	1066824551	/nfs/dbraw/zinc/82/45/51/1066824551.db2.gz	QSTUDQOYJAZLGH-FCHUYYIVSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(I)c2)c1	ZINC000409387800	1066824533	/nfs/dbraw/zinc/82/45/33/1066824533.db2.gz	QSTUDQOYJAZLGH-FGZHOGPDSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(I)c2)c1	ZINC000409387802	1066825129	/nfs/dbraw/zinc/82/51/29/1066825129.db2.gz	QSTUDQOYJAZLGH-VXKWHMMOSA-N	-1	0	619.364	3.783	40	0		KHABRM
COc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(I)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1	ZINC000409387804	1066824998	/nfs/dbraw/zinc/82/49/98/1066824998.db2.gz	QSTUDQOYJAZLGH-YADHBBJMSA-N	-1	0	619.364	3.783	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Br)c(OCC(=O)[O-])c(OC)c3)C2=O)o1	ZINC000409387886	1066824599	/nfs/dbraw/zinc/82/45/99/1066824599.db2.gz	XWJKQMQJEHVITP-VIZOYTHASA-N	-1	0	526.317	3.537	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(Cl)c2)ccc1OC(C)=O	ZINC000409388114	1066824645	/nfs/dbraw/zinc/82/46/45/1066824645.db2.gz	UHNKHWABOFSHIC-CLJLJLNGSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O	ZINC000409388117	1066824608	/nfs/dbraw/zinc/82/46/08/1066824608.db2.gz	UHNKHWABOFSHIC-FTJBHMTQSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(Cl)c2)ccc1OC(C)=O	ZINC000409388121	1066824616	/nfs/dbraw/zinc/82/46/16/1066824616.db2.gz	UHNKHWABOFSHIC-IZZNHLLZSA-N	-1	0	643.985	3.682	40	0		KHABRM
COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(Cl)c2)ccc1OC(C)=O	ZINC000409388125	1066824604	/nfs/dbraw/zinc/82/46/04/1066824604.db2.gz	UHNKHWABOFSHIC-UIOOFZCWSA-N	-1	0	643.985	3.682	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	ZINC000409388224	1066824544	/nfs/dbraw/zinc/82/45/44/1066824544.db2.gz	SWRCISRWNWFQCK-PMACEKPBSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	ZINC000409388228	1066824621	/nfs/dbraw/zinc/82/46/21/1066824621.db2.gz	SWRCISRWNWFQCK-UXHICEINSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	ZINC000409388230	1066284908	/nfs/dbraw/zinc/28/49/08/1066284908.db2.gz	SWRCISRWNWFQCK-VQTJNVASSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	ZINC000409388233	1066824504	/nfs/dbraw/zinc/82/45/04/1066824504.db2.gz	SWRCISRWNWFQCK-WOJBJXKFSA-N	-1	0	512.312	3.923	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1	ZINC000409388276	1066823967	/nfs/dbraw/zinc/82/39/67/1066823967.db2.gz	TXFDFWYXELHICQ-MOPGFXCFSA-N	-1	0	506.294	3.738	40	0		KHABRM
O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1	ZINC000409388280	1066824081	/nfs/dbraw/zinc/82/40/81/1066824081.db2.gz	TXFDFWYXELHICQ-OALUTQOASA-N	-1	0	506.294	3.738	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1	ZINC000409388282	1066824022	/nfs/dbraw/zinc/82/40/22/1066824022.db2.gz	TXFDFWYXELHICQ-RBUKOAKNSA-N	-1	0	506.294	3.738	40	0		KHABRM
O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1	ZINC000409388285	1066823991	/nfs/dbraw/zinc/82/39/91/1066823991.db2.gz	TXFDFWYXELHICQ-RTBURBONSA-N	-1	0	506.294	3.738	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409388673	1066823515	/nfs/dbraw/zinc/82/35/15/1066823515.db2.gz	VMRLWNJHHKSXEA-BJKOFHAPSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409388676	1066823577	/nfs/dbraw/zinc/82/35/77/1066823577.db2.gz	VMRLWNJHHKSXEA-DNQXCXABSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409388678	1066823646	/nfs/dbraw/zinc/82/36/46/1066823646.db2.gz	VMRLWNJHHKSXEA-RPWUZVMVSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])c1	ZINC000409388681	1066823587	/nfs/dbraw/zinc/82/35/87/1066823587.db2.gz	VMRLWNJHHKSXEA-ZEQRLZLVSA-N	-1	0	533.533	3.954	40	0		KHABRM
CCOc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409392384	1066821453	/nfs/dbraw/zinc/82/14/53/1066821453.db2.gz	LVXRIZOXNJMYFF-NVMNQCDNSA-N	-1	0	503.374	3.698	40	0		KHABRM
Cc1cc2nc3s/c(=C\c4cc(I)cc(Br)c4OCC(=O)[O-])c(=O)n3c2cc1C	ZINC000409393135	1066821389	/nfs/dbraw/zinc/82/13/89/1066821389.db2.gz	PEJQRMFZRVUSFU-SOFYXZRVSA-N	-1	0	585.217	3.904	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-]	ZINC000409398313	1066287878	/nfs/dbraw/zinc/28/78/78/1066287878.db2.gz	CTIBFPPHMLQKCU-BNDQCTAISA-N	-1	0	616.215	3.935	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-]	ZINC000409398315	1066829411	/nfs/dbraw/zinc/82/94/11/1066829411.db2.gz	CTIBFPPHMLQKCU-QVASGMJFSA-N	-1	0	616.215	3.935	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@H](C)C(=O)[O-])c(Br)c3Br)C2=O)o1	ZINC000409399425	1066827820	/nfs/dbraw/zinc/82/78/20/1066827820.db2.gz	IPQLAQLXIPHHAW-DKBJHAQFSA-N	-1	0	602.188	3.545	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(O[C@@H](C)C(=O)[O-])c(Br)c3Br)C2=O)o1	ZINC000409399427	1066827767	/nfs/dbraw/zinc/82/77/67/1066827767.db2.gz	IPQLAQLXIPHHAW-TXEUWIOXSA-N	-1	0	602.188	3.545	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1OCC(=O)[O-]	ZINC000409399466	1066827716	/nfs/dbraw/zinc/82/77/16/1066827716.db2.gz	IXAYHBMVSKZSGO-SDQBBNPISA-N	-1	0	602.188	3.546	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000409399492	1066827772	/nfs/dbraw/zinc/82/77/72/1066827772.db2.gz	JDULXIOSJYGMCB-NDENLUEZSA-N	-1	0	520.494	3.835	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409399508	1066286497	/nfs/dbraw/zinc/28/64/97/1066286497.db2.gz	JLTKIUSSWDCNHW-BNDQCTAISA-N	-1	0	571.764	3.826	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409399510	1066827827	/nfs/dbraw/zinc/82/78/27/1066827827.db2.gz	JLTKIUSSWDCNHW-QVASGMJFSA-N	-1	0	571.764	3.826	40	0		KHABRM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000409399651	1066827346	/nfs/dbraw/zinc/82/73/46/1066827346.db2.gz	LHVNVFYHNKPEFN-NDENLUEZSA-N	-1	0	520.494	3.835	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@H](C)C(=O)[O-])c(Br)c3)C2=O)o1	ZINC000409402981	1066288040	/nfs/dbraw/zinc/28/80/40/1066288040.db2.gz	XZPXOWPZVSJJIN-UGHKADQRSA-N	-1	0	572.162	3.536	40	0		KHABRM
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@@H](C)C(=O)[O-])c(Br)c3)C2=O)o1	ZINC000409402984	1066831919	/nfs/dbraw/zinc/83/19/19/1066831919.db2.gz	XZPXOWPZVSJJIN-VUPJLDGMSA-N	-1	0	572.162	3.536	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(I)c3)cc2)c1	ZINC000409407841	1066837745	/nfs/dbraw/zinc/83/77/45/1066837745.db2.gz	AHNGWEXPNMHEFR-UHFFFAOYSA-N	-1	0	604.444	3.919	40	0		KHABRM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000409409300	1066836257	/nfs/dbraw/zinc/83/62/57/1066836257.db2.gz	HBCAMNXFNROOMX-UHFFFAOYSA-N	-1	0	514.003	3.828	40	0		KHABRM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)c1	ZINC000409409652	1066836313	/nfs/dbraw/zinc/83/63/13/1066836313.db2.gz	PSSISXZWYMPLNW-UHFFFAOYSA-N	-1	0	550.058	3.722	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000409409653	1066836274	/nfs/dbraw/zinc/83/62/74/1066836274.db2.gz	PSSVJQQQJGYLQO-IBGZPJMESA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000409409654	1066836248	/nfs/dbraw/zinc/83/62/48/1066836248.db2.gz	PSSVJQQQJGYLQO-LJQANCHMSA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c1	ZINC000409409884	1066835750	/nfs/dbraw/zinc/83/57/50/1066835750.db2.gz	JUOUZPKLGMVTHR-GOSISDBHSA-N	-1	0	547.655	3.606	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c1	ZINC000409409886	1066835777	/nfs/dbraw/zinc/83/57/77/1066835777.db2.gz	JUOUZPKLGMVTHR-SFHVURJKSA-N	-1	0	547.655	3.606	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1	ZINC000409409892	1066835788	/nfs/dbraw/zinc/83/57/88/1066835788.db2.gz	RTRJUHJGZOBBIB-IBGZPJMESA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1	ZINC000409409893	1066835667	/nfs/dbraw/zinc/83/56/67/1066835667.db2.gz	RTRJUHJGZOBBIB-LJQANCHMSA-N	-1	0	561.682	3.915	40	0		KHABRM
COC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(I)c2)sc2c1CCCC2	ZINC000409410565	1066835198	/nfs/dbraw/zinc/83/51/98/1066835198.db2.gz	OBQUNBBLROZOJT-UHFFFAOYSA-N	-1	0	507.371	3.828	40	0		KHABRM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl	ZINC000409410962	1066835146	/nfs/dbraw/zinc/83/51/46/1066835146.db2.gz	BKONJKDQZGDYNI-UHFFFAOYSA-N	-1	0	550.058	3.722	40	0		KHABRM
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1	ZINC000409411009	1066287895	/nfs/dbraw/zinc/28/78/95/1066287895.db2.gz	SFBYSZHHCRPSBH-LJQANCHMSA-N	-1	0	531.656	3.988	40	0		KHABRM
CCn1c(SCC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)nnc1-c1cc(Br)ccc1O	ZINC000409411539	1066287809	/nfs/dbraw/zinc/28/78/09/1066287809.db2.gz	ITKKPYZLESJACO-UHFFFAOYSA-N	-1	0	549.403	3.737	40	0		KHABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1	ZINC000409411648	1066834681	/nfs/dbraw/zinc/83/46/81/1066834681.db2.gz	YNEODFSXUGUCKX-IBGZPJMESA-N	-1	0	561.682	3.915	40	0		KHABRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(C)cc3)S(C)(=O)=O)cc2)c(OC)c1	ZINC000409411885	1066834666	/nfs/dbraw/zinc/83/46/66/1066834666.db2.gz	MWFUCGXHUAQERE-GOSISDBHSA-N	-1	0	547.655	3.606	40	0		KHABRM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C	ZINC000575421308	1066489427	/nfs/dbraw/zinc/48/94/27/1066489427.db2.gz	IXMLKGUJYTZJDA-CLJLJLNGSA-N	-1	0	606.788	3.691	40	0		KHABRM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N([C@@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C	ZINC000575421318	1066489319	/nfs/dbraw/zinc/48/93/19/1066489319.db2.gz	IXMLKGUJYTZJDA-FTJBHMTQSA-N	-1	0	606.788	3.691	40	0		KHABRM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C	ZINC000575421320	1066489297	/nfs/dbraw/zinc/48/92/97/1066489297.db2.gz	IXMLKGUJYTZJDA-IZZNHLLZSA-N	-1	0	606.788	3.691	40	0		KHABRM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N([C@H]3CS(=O)(=O)C[C@@H]3O)S(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C	ZINC000575421321	1066489503	/nfs/dbraw/zinc/48/95/03/1066489503.db2.gz	IXMLKGUJYTZJDA-UIOOFZCWSA-N	-1	0	606.788	3.691	40	0		KHABRM
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2cc(Cl)ccc2C)cc1	ZINC000575426016	1066488752	/nfs/dbraw/zinc/48/87/52/1066488752.db2.gz	KSIUYFNLDBZVCH-FGZHOGPDSA-N	-1	0	619.570	3.764	40	0		KHABRM
Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2cc(Cl)ccc2C)cc1	ZINC000575426018	1066488603	/nfs/dbraw/zinc/48/86/03/1066488603.db2.gz	KSIUYFNLDBZVCH-YADHBBJMSA-N	-1	0	619.570	3.764	40	0		KHABRM
CO[C@@H]([C@H](C)C(=O)[O-])[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C	ZINC000584908999	565218690	/nfs/dbraw/zinc/21/86/90/565218690.db2.gz	ZXLUKLZKZXJEFX-WALYMESLSA-N	-1	0	656.854	3.883	40	0	biogenic,in-vitro	KHABRM
CC(C)(C)OC(=O)N1CCCn2nnc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)[O-])cc3)c2C1	ZINC000585091775	1066298099	/nfs/dbraw/zinc/29/80/99/1066298099.db2.gz	MKBQKZZIYAANLH-UHFFFAOYSA-N	-1	0	505.575	3.960	40	0		KHABRM
CCCc1nc(N(C)CCc2ccccc2)ncc1C(=O)[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000585265185	1066299228	/nfs/dbraw/zinc/29/92/28/1066299228.db2.gz	BAEXNFRPSPLNIS-UHFFFAOYSA-N	-1	0	517.449	3.989	40	0		KHABRM
COc1cccc(CCc2nc(N3CCc4ccccc4CC3)ncc2C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000585265188	1066299201	/nfs/dbraw/zinc/29/92/01/1066299201.db2.gz	BBDCZVVAJCZWJW-UHFFFAOYSA-N	-1	0	542.661	3.994	40	0		KHABRM
CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000585265332	1066299277	/nfs/dbraw/zinc/29/92/77/1066299277.db2.gz	JFZVLFCZHADGQO-UHFFFAOYSA-N	-1	0	515.433	3.873	40	0		KHABRM
COc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(N3CCc4ccccc4C3)nc2CCc2cccc(OC)c2)cc1	ZINC000585265395	1066299161	/nfs/dbraw/zinc/29/91/61/1066299161.db2.gz	KJTZEASBRMRNSL-UHFFFAOYSA-N	-1	0	558.660	3.960	40	0		KHABRM
COc1cccc(CCc2nc(N3CCc4ccccc4C3)ncc2C(=O)[N-]S(=O)(=O)c2ccccc2)c1	ZINC000585265451	1066299192	/nfs/dbraw/zinc/29/91/92/1066299192.db2.gz	MGDGLMQUXKUCNY-UHFFFAOYSA-N	-1	0	528.634	3.952	40	0		KHABRM
CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000585265664	1066299126	/nfs/dbraw/zinc/29/91/26/1066299126.db2.gz	NZISGPYUXDTUKR-UHFFFAOYSA-N	-1	0	515.433	3.873	40	0		KHABRM
CCCc1nc(N(C)CCc2ccccc2)ncc1C(=O)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000585265781	1066298599	/nfs/dbraw/zinc/29/85/99/1066298599.db2.gz	UIXYLMIUDVOTFM-UHFFFAOYSA-N	-1	0	517.449	3.989	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1OCC(=O)N(Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1	ZINC000585266075	1066299728	/nfs/dbraw/zinc/29/97/28/1066299728.db2.gz	FHSNYLRKOOLRLH-DHIUTWEWSA-N	-1	0	520.941	3.592	40	0		KHABRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1OCC(=O)N(Cc2cccc(Cl)c2)[C@@H]1c1ccccc1	ZINC000585266214	1066298754	/nfs/dbraw/zinc/29/87/54/1066298754.db2.gz	WZAHVAIDNHGDFA-DHIUTWEWSA-N	-1	0	519.406	3.967	40	0		KHABRM
COc1ccccc1C(Cn1c2sc(-c3ncco3)c(C)c2c(=O)n(C(C)(C)C(=O)[O-])c1=O)OC1CCOCC1	ZINC001560403830	1066878338	/nfs/dbraw/zinc/87/83/38/1066878338.db2.gz	PPXVHQJKFVPVCX-UHFFFAOYSA-N	-1	0	568.628	3.792	40	0		KHABRM
CC(C)c1nc([N-]S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/CCCC(O)(O)C(=O)OC(C)(C)C	ZINC001570001154	1066879769	/nfs/dbraw/zinc/87/97/69/1066879769.db2.gz	OWHQDDJIIOSDDM-CSKARUKUSA-N	-1	0	523.627	3.984	40	0		KHABRM