smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cc(OC2CCCCC2)ccc1I	ZINC000095723179	185383492	/nfs/dbraw/zinc/38/34/92/185383492.db2.gz	FHJTWXJSEPXNIC-UHFFFAOYSA-N	-1	3	318.154	3.708	10	0		DHAEHM
C[C@@H](c1ccccc1C(F)(F)F)N1CCC(C(=O)[O-])CC1	ZINC000003760623	181045239	/nfs/dbraw/zinc/04/52/39/181045239.db2.gz	UHFFQSPDCWHCGJ-JTQLQIEISA-N	-1	3	301.308	3.563	10	0		DHAEHM
COc1ccc2ncc(C(=O)[O-])c(NCCc3ccccc3)c2c1	ZINC000004226226	181086389	/nfs/dbraw/zinc/08/63/89/181086389.db2.gz	DIWHMLJMLFBBTF-UHFFFAOYSA-N	-1	3	322.364	3.596	10	0		DHAEHM
Cc1ccc(C(=O)Nc2ccccc2Br)c([O-])c1	ZINC000019435943	182123111	/nfs/dbraw/zinc/12/31/11/182123111.db2.gz	ZRWNLKAWOORDBK-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
Cc1cccc(CNCc2ccc([O-])c(Br)c2)c1	ZINC000063067996	184269327	/nfs/dbraw/zinc/26/93/27/184269327.db2.gz	USTYWDGPQBKDGJ-UHFFFAOYSA-N	-1	3	306.203	3.753	10	0		DHAEHM
COc1ccc(OC)c(-c2cc([O-])cc(Br)c2)c1	ZINC000065343885	184325672	/nfs/dbraw/zinc/32/56/72/184325672.db2.gz	UYXSTXNJZYOCGW-UHFFFAOYSA-N	-1	3	309.159	3.839	10	0		DHAEHM
COC(=O)c1cc(-c2cc([O-])cc(Br)c2)cs1	ZINC000065343897	184325869	/nfs/dbraw/zinc/32/58/69/184325869.db2.gz	SCGJAPWHLFJYLN-UHFFFAOYSA-N	-1	3	313.172	3.670	10	0		DHAEHM
COc1ccc2c(c1)CCC[C@H]2NCc1cccc(C(=O)[O-])c1	ZINC000263382953	337627247	/nfs/dbraw/zinc/62/72/47/337627247.db2.gz	CEAHYWPHKPVBCR-GOSISDBHSA-N	-1	3	311.381	3.561	10	0		DHAEHM
COc1ccc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c([O-])c1	ZINC000121939421	337902504	/nfs/dbraw/zinc/90/25/04/337902504.db2.gz	FKHRHLIISIGXEV-NSHDSACASA-N	-1	3	319.788	3.887	10	0		DHAEHM
CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])o1	ZINC000128530604	340893942	/nfs/dbraw/zinc/89/39/42/340893942.db2.gz	QBNCMWDBKONDCA-HNNXBMFYSA-N	-1	3	315.369	3.621	10	0		DHAEHM
[O-]c1cncc(/C=C/c2nc(Cc3ccc(Cl)cc3)no2)c1	ZINC000131977375	341114427	/nfs/dbraw/zinc/11/44/27/341114427.db2.gz	GGWSSMMLDOEOSD-ZZXKWVIFSA-N	-1	3	313.744	3.585	10	0		DHAEHM
Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1[O-]	ZINC000078744734	341247358	/nfs/dbraw/zinc/24/73/58/341247358.db2.gz	MCCSSLIBYWQKQR-WDEREUQCSA-N	-1	3	301.308	3.552	10	0		DHAEHM
C[C@@H](NCC(C)(C)c1cccs1)c1ncc(C(=O)[O-])s1	ZINC000314596801	963775178	/nfs/dbraw/zinc/77/51/78/963775178.db2.gz	CCKJUUSRTLXYDS-SECBINFHSA-N	-1	3	310.444	3.531	10	0		DHAEHM
C[C@H]1CN(Cc2cccc(Cl)c2Cl)C[C@]1(C)C(=O)[O-]	ZINC000710163987	977488564	/nfs/dbraw/zinc/48/85/64/977488564.db2.gz	LAEGGTKBQIVKDV-XPTSAGLGSA-N	-1	3	302.201	3.536	10	0		DHAEHM
COc1cc(/C=C(/C)c2noc(-c3ccccc3[O-])n2)ccc1O	ZINC000096835779	185388992	/nfs/dbraw/zinc/38/89/92/185388992.db2.gz	LQYRBDHQELGEIR-LUAWRHEFSA-N	-1	3	324.336	3.717	10	0		DHAEHM
Cc1cc(NCCc2ccccc2)c2ccc(C(=O)[O-])cc2n1	ZINC000004226529	181086480	/nfs/dbraw/zinc/08/64/80/181086480.db2.gz	MHFLKWVBNYWMCN-UHFFFAOYSA-N	-1	3	306.365	3.896	10	0		DHAEHM
O=C(CCC1CCCCC1)NC(=S)Nc1ccccc1[O-]	ZINC000014028855	181920815	/nfs/dbraw/zinc/92/08/15/181920815.db2.gz	PHWXXMNZEYHSLF-UHFFFAOYSA-N	-1	3	306.431	3.566	10	0		DHAEHM
Cc1cccc(C(=O)Nc2ccccc2Br)c1[O-]	ZINC000019503247	182126640	/nfs/dbraw/zinc/12/66/40/182126640.db2.gz	MXERPAKFVTZMGN-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
Cc1cccc(Nc2ncnc([N-]c3nccs3)c2N)c1C	ZINC000040755073	183129241	/nfs/dbraw/zinc/12/92/41/183129241.db2.gz	MYQGCRVXSSAPMS-UHFFFAOYSA-N	-1	3	312.402	3.619	10	0		DHAEHM
COc1cc([O-])c(C(=O)N2Cc3ccccc3C2)cc1C(C)C	ZINC000058575903	184122801	/nfs/dbraw/zinc/12/28/01/184122801.db2.gz	RFBYLLKEEZKILL-UHFFFAOYSA-N	-1	3	311.381	3.680	10	0	in-vitro	DHAEHM
CC(=O)Nc1cccc(-c2cc([O-])cc(Br)c2)c1	ZINC000065343869	184325770	/nfs/dbraw/zinc/32/57/70/184325770.db2.gz	YWISZBVZZXPHPT-UHFFFAOYSA-N	-1	3	306.159	3.780	10	0		DHAEHM
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C\c1cncc([O-])c1	ZINC000255620143	331780178	/nfs/dbraw/zinc/78/01/78/331780178.db2.gz	YCMBTAXMGVHOTL-KJPDOOANSA-N	-1	3	316.788	3.673	10	0		DHAEHM
COc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1[O-]	ZINC000042253196	336237956	/nfs/dbraw/zinc/23/79/56/336237956.db2.gz	PKKBEWFUYMTICD-JTQLQIEISA-N	-1	3	305.761	3.545	10	0		DHAEHM
CC(C)(C)OC(=O)/C=C/c1ccc(OC(F)(F)F)cc1[O-]	ZINC000725273822	563579271	/nfs/dbraw/zinc/57/92/71/563579271.db2.gz	KCYWTFXXZJSXFP-FNORWQNLSA-N	-1	3	304.264	3.646	10	0		DHAEHM
CC(C)[N-]S(=O)(=O)c1occc1-c1cscc1C(F)F	ZINC000675055444	568420042	/nfs/dbraw/zinc/42/00/42/568420042.db2.gz	TXXBPQSPMGCBOI-UHFFFAOYSA-N	-1	3	321.370	3.632	10	0		DHAEHM
O=C([O-])CCN(Cc1cc(Cl)cs1)Cc1ccccc1	ZINC000701262827	976999807	/nfs/dbraw/zinc/99/98/07/976999807.db2.gz	ADGOPYWDPMCQSY-UHFFFAOYSA-N	-1	3	309.818	3.878	10	0		DHAEHM
[O-]c1ccccc1C1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1	ZINC000004953040	181179065	/nfs/dbraw/zinc/17/90/65/181179065.db2.gz	OEKBIIKUZMEOMM-HNNXBMFYSA-N	-1	3	324.771	3.751	10	0		DHAEHM
[O-]c1c(Br)ccc2c1C[C@H](c1ccccc1)OC2	ZINC000006116485	181313143	/nfs/dbraw/zinc/31/31/43/181313143.db2.gz	LDHSLLYHMNIOOP-CQSZACIVSA-N	-1	3	305.171	3.969	10	0		DHAEHM
Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3ccccc3)c[n-]c12	ZINC000040359343	183057303	/nfs/dbraw/zinc/05/73/03/183057303.db2.gz	IZTQTZRRDYBTDJ-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
CC(C)(C)Nc1ncnc([N-]c2nc3ccccc3s2)c1N	ZINC000040680557	183117053	/nfs/dbraw/zinc/11/70/53/183117053.db2.gz	LMNFDULTYJYBGE-UHFFFAOYSA-N	-1	3	314.418	3.623	10	0		DHAEHM
Cc1ccc(Nc2ncnc([N-]c3nccs3)c2N)c(C)c1	ZINC000040755378	183129370	/nfs/dbraw/zinc/12/93/70/183129370.db2.gz	UEDXBDXCUIHTRI-UHFFFAOYSA-N	-1	3	312.402	3.619	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(F)cc3F)n2)c1	ZINC000057341942	184034162	/nfs/dbraw/zinc/03/41/62/184034162.db2.gz	LHJICXLDLFVAEX-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
[O-]c1ccc(CNCc2ccccc2F)cc1Br	ZINC000057943030	184063147	/nfs/dbraw/zinc/06/31/47/184063147.db2.gz	VCFFRNQBGHPTNU-UHFFFAOYSA-N	-1	3	310.166	3.584	10	0		DHAEHM
CC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)c([O-])cc1O	ZINC000058575890	184122343	/nfs/dbraw/zinc/12/23/43/184122343.db2.gz	FUNJEJVGXFUOOI-UHFFFAOYSA-N	-1	3	311.381	3.551	10	0		DHAEHM
O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccc([O-])c1	ZINC000182825360	337188523	/nfs/dbraw/zinc/18/85/23/337188523.db2.gz	PFHQDIKEYPTSDM-KRWDZBQOSA-N	-1	3	323.392	3.959	10	0		DHAEHM
Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)s2)o1	ZINC000191845733	340559500	/nfs/dbraw/zinc/55/95/00/340559500.db2.gz	GMTYBEWELZYNSO-SECBINFHSA-N	-1	3	319.835	3.651	10	0		DHAEHM
Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3c3ccco3)c[n-]c12	ZINC000163701154	524939878	/nfs/dbraw/zinc/93/98/78/524939878.db2.gz	RDQOOSTYTIWWGW-OAHLLOKOSA-N	-1	3	322.364	3.819	10	0		DHAEHM
Cc1cc(NC(=O)Cc2ccccc2)cc(Br)c1[O-]	ZINC000226242975	568420665	/nfs/dbraw/zinc/42/06/65/568420665.db2.gz	VTBCHHPJQQCYKD-UHFFFAOYSA-N	-1	3	320.186	3.644	10	0		DHAEHM
[O-]c1c(I)cccc1OC1CCCCC1	ZINC000095713497	185383145	/nfs/dbraw/zinc/38/31/45/185383145.db2.gz	UNFBGMOXAZYYFK-UHFFFAOYSA-N	-1	3	318.154	3.708	10	0		DHAEHM
CC(C)(C)OC(=O)N1CCC(c2ccc3o[n-]c(=O)c3c2)CC1	ZINC000148063236	186043365	/nfs/dbraw/zinc/04/33/65/186043365.db2.gz	GIDNCHZIQVXDQP-UHFFFAOYSA-N	-1	3	318.373	3.648	10	0		DHAEHM
O=c1cc(-c2cccnc2)nc(-c2ccc(C(F)(F)F)cc2)[n-]1	ZINC000073661901	191338354	/nfs/dbraw/zinc/33/83/54/191338354.db2.gz	MMWYYFNGXIZLPQ-UHFFFAOYSA-N	-1	3	317.270	3.518	10	0		DHAEHM
O=C(Nc1ccccc1F)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000041056009	183159834	/nfs/dbraw/zinc/15/98/34/183159834.db2.gz	ZBPPSNQIGJSZKI-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
O=C(Nc1ccccc1F)c1cnc2cc(Cl)ccc2c1[O-]	ZINC000041056009	183159836	/nfs/dbraw/zinc/15/98/36/183159836.db2.gz	ZBPPSNQIGJSZKI-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3cc(F)cc(F)c3)n2)c1	ZINC000057341981	184034145	/nfs/dbraw/zinc/03/41/45/184034145.db2.gz	VGRIIRRKPBZLNR-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(F)c(C)c3)n2)c1	ZINC000057341996	184034368	/nfs/dbraw/zinc/03/43/68/184034368.db2.gz	CLCHXKICCUOPOX-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
CC(=O)Cc1nsc([N-]c2ccc(Cl)cc2Cl)n1	ZINC000059095393	184134133	/nfs/dbraw/zinc/13/41/33/184134133.db2.gz	ZYMFQPWDVNMXCT-UHFFFAOYSA-N	-1	3	302.186	3.720	10	0		DHAEHM
CN(C)c1ccc(NCc2ccc([O-])c(Br)c2)cc1	ZINC000062702024	184248039	/nfs/dbraw/zinc/24/80/39/184248039.db2.gz	GFWIEFQKUKIREQ-UHFFFAOYSA-N	-1	3	321.218	3.833	10	0		DHAEHM
CCNC(=O)c1cccc(-c2cc([O-])cc(Br)c2)c1	ZINC000065343919	184326043	/nfs/dbraw/zinc/32/60/43/184326043.db2.gz	NAYPUXDCUJDPFM-UHFFFAOYSA-N	-1	3	320.186	3.571	10	0		DHAEHM
[O-]c1ccc(-c2nc(COc3ccc(Cl)cc3)no2)cc1	ZINC000040542136	526338789	/nfs/dbraw/zinc/33/87/89/526338789.db2.gz	GYDBWKXXYZXPJB-UHFFFAOYSA-N	-1	3	302.717	3.675	10	0		DHAEHM
O=C(Cc1ccccc1F)c1cc(Br)ccc1[O-]	ZINC000095942562	563531714	/nfs/dbraw/zinc/53/17/14/563531714.db2.gz	LCEZANJSRRVKPC-UHFFFAOYSA-N	-1	3	309.134	3.719	10	0		DHAEHM
O=c1cc(C(F)(F)Oc2ccccc2)nc(-c2ccccc2)[n-]1	ZINC000090660640	185308275	/nfs/dbraw/zinc/30/82/75/185308275.db2.gz	GFPBVUTZRPILQK-UHFFFAOYSA-N	-1	3	314.291	3.565	10	0		DHAEHM
O=C(Nc1ccc(Br)cc1F)c1ccc([O-])cc1	ZINC000019442140	182123421	/nfs/dbraw/zinc/12/34/21/182123421.db2.gz	IDSYSYLRDKSLQS-UHFFFAOYSA-N	-1	3	310.122	3.546	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cc(F)cc(F)c3)n2)cc1	ZINC000057342105	184034142	/nfs/dbraw/zinc/03/41/42/184034142.db2.gz	HGUNAIMSLJHXCD-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2ccc(Cl)c(F)c2)[n-]1	ZINC000057341565	184034199	/nfs/dbraw/zinc/03/41/99/184034199.db2.gz	DJXOWTYKYAXSNL-UHFFFAOYSA-N	-1	3	315.735	3.973	10	0		DHAEHM
[O-]c1ccc(CN[C@H]2CCc3ccccc32)cc1Br	ZINC000059514608	184139732	/nfs/dbraw/zinc/13/97/32/184139732.db2.gz	UAQYWKPOGNEOPB-HNNXBMFYSA-N	-1	3	318.214	3.932	10	0		DHAEHM
COc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1	ZINC000048931122	334302538	/nfs/dbraw/zinc/30/25/38/334302538.db2.gz	DAJQBUINKQSAQK-SNVBAGLBSA-N	-1	3	305.761	3.545	10	0		DHAEHM
O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000183270474	337192537	/nfs/dbraw/zinc/19/25/37/337192537.db2.gz	WMTISPGTSUMMNT-PBHICJAKSA-N	-1	3	315.344	3.638	10	0		DHAEHM
CCc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)c([O-])c1	ZINC000191053624	523883467	/nfs/dbraw/zinc/88/34/67/523883467.db2.gz	NAYKRJOCUBZXLG-AWEZNQCLSA-N	-1	3	316.426	3.779	10	0		DHAEHM
[O-]c1ccc(-c2nc(COc3ccccc3Cl)no2)cc1	ZINC000040542152	526338284	/nfs/dbraw/zinc/33/82/84/526338284.db2.gz	SQLZSIJRACVDHR-UHFFFAOYSA-N	-1	3	302.717	3.675	10	0		DHAEHM
O=C([O-])CCN(Cc1ccccc1)Cc1cc(F)c(F)c(F)c1	ZINC000692410608	976451623	/nfs/dbraw/zinc/45/16/23/976451623.db2.gz	QCZLDIAVANKJEO-UHFFFAOYSA-N	-1	3	323.314	3.581	10	0		DHAEHM
O=C([O-])CCN(Cc1ccccc1)Cc1ccc(F)c(Cl)c1	ZINC000692428687	976468432	/nfs/dbraw/zinc/46/84/32/976468432.db2.gz	OXONVFBVECRONA-UHFFFAOYSA-N	-1	3	321.779	3.956	10	0		DHAEHM
O=c1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)[n-]1	ZINC000073661898	191337845	/nfs/dbraw/zinc/33/78/45/191337845.db2.gz	GLBKNXZGLUCTNH-UHFFFAOYSA-N	-1	3	317.270	3.518	10	0		DHAEHM
Cc1ccc(NC(=O)c2cccc([O-])c2)c(Br)c1	ZINC000019504193	182126912	/nfs/dbraw/zinc/12/69/12/182126912.db2.gz	UAZILKFJHRFREI-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
CCc1ccccc1Nc1ncnc([N-]c2nccs2)c1N	ZINC000040688263	183117754	/nfs/dbraw/zinc/11/77/54/183117754.db2.gz	JBEWOCBUNWPERB-UHFFFAOYSA-N	-1	3	312.402	3.565	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3cc(C)ccc3F)n2)c1	ZINC000057342038	184034261	/nfs/dbraw/zinc/03/42/61/184034261.db2.gz	GYKRZBBQNWASRO-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1ccc([C@@H](C)NCc2ccc([O-])c(Br)c2)o1	ZINC000057988522	184065106	/nfs/dbraw/zinc/06/51/06/184065106.db2.gz	VBYBQQPMFGSMTO-SNVBAGLBSA-N	-1	3	310.191	3.907	10	0		DHAEHM
CN(C)c1ccccc1NCc1ccc([O-])c(Br)c1	ZINC000062702596	184248210	/nfs/dbraw/zinc/24/82/10/184248210.db2.gz	KLSQQJYJOVLFNC-UHFFFAOYSA-N	-1	3	321.218	3.833	10	0		DHAEHM
NC(=O)c1cc(-c2cc([O-])cc(C(F)(F)F)c2)ccc1Cl	ZINC000065344369	184326121	/nfs/dbraw/zinc/32/61/21/184326121.db2.gz	OWNZFMQESWLAEF-UHFFFAOYSA-N	-1	3	315.678	3.830	10	0		DHAEHM
CN1CCc2cc(Cl)c([O-])cc2[C@@H]2c3ccccc3CC[C@@H]21	ZINC000008586471	560209658	/nfs/dbraw/zinc/20/96/58/560209658.db2.gz	DMJWENQHWZZWDF-HKUYNNGSSA-N	-1	3	313.828	3.980	10	0	in-vitro	DHAEHM
Cc1cc(NC(=O)c2ccccc2F)cc(Br)c1[O-]	ZINC000226242806	568420692	/nfs/dbraw/zinc/42/06/92/568420692.db2.gz	XYZYRBGVRAUBRO-UHFFFAOYSA-N	-1	3	324.149	3.855	10	0		DHAEHM
C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(Cl)s1	ZINC000167611690	959350953	/nfs/dbraw/zinc/35/09/53/959350953.db2.gz	BUAGLTRTWOUIEE-JTQLQIEISA-N	-1	3	309.818	3.879	10	0		DHAEHM
CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccsc2Cl)C1	ZINC000308351381	963268339	/nfs/dbraw/zinc/26/83/39/963268339.db2.gz	QUBMUSUPPRQGNY-LLVKDONJSA-N	-1	3	301.839	3.724	10	0		DHAEHM
CS[C@H]1CC[C@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC000707342518	977385341	/nfs/dbraw/zinc/38/53/41/977385341.db2.gz	GSMMHOLZDGFRAB-RYUDHWBXSA-N	-1	3	313.850	3.754	10	0		DHAEHM
[O-]c1cc(I)cc(OC2CCCCC2)c1	ZINC000095724538	185383337	/nfs/dbraw/zinc/38/33/37/185383337.db2.gz	FAZMKYSRIIRPKD-UHFFFAOYSA-N	-1	3	318.154	3.708	10	0		DHAEHM
C[C@H](c1cccc(C(F)(F)F)c1)N1CCC(C(=O)[O-])CC1	ZINC000003760680	181045312	/nfs/dbraw/zinc/04/53/12/181045312.db2.gz	RWUXYYDBYCSGMF-SNVBAGLBSA-N	-1	3	301.308	3.563	10	0		DHAEHM
O=S1(=O)[N-]c2c3c1cccc3c(Cl)c(Cl)c2Cl	ZINC000005332533	181230467	/nfs/dbraw/zinc/23/04/67/181230467.db2.gz	QWLSBCODSSOKJA-UHFFFAOYSA-N	-1	3	308.573	3.914	10	0		DHAEHM
Cc1cc(Br)ccc1NC(=O)c1ccc([O-])cc1	ZINC000019429188	182122885	/nfs/dbraw/zinc/12/28/85/182122885.db2.gz	SYXFEXIBMAISHA-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
Cc1cccc2sc([N-]c3ncnc(NC(C)C)c3N)nc21	ZINC000040708205	183120841	/nfs/dbraw/zinc/12/08/41/183120841.db2.gz	YETJZQBXWZWZEN-UHFFFAOYSA-N	-1	3	314.418	3.541	10	0		DHAEHM
Cc1ccccc1NC(=O)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000041055985	183160124	/nfs/dbraw/zinc/16/01/24/183160124.db2.gz	YQEFOUIEAIEYQV-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
Cc1ccccc1NC(=O)c1cnc2cc(Cl)ccc2c1[O-]	ZINC000041055985	183160127	/nfs/dbraw/zinc/16/01/27/183160127.db2.gz	YQEFOUIEAIEYQV-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
COc1cccc(NCc2ccc([O-])c(Br)c2)c1	ZINC000057997996	184066181	/nfs/dbraw/zinc/06/61/81/184066181.db2.gz	LKSCSVWJJCAVEV-UHFFFAOYSA-N	-1	3	308.175	3.775	10	0		DHAEHM
[O-]c1ccc(CNc2cccnc2Cl)cc1Br	ZINC000062702488	184247943	/nfs/dbraw/zinc/24/79/43/184247943.db2.gz	PAGPEAZSJFMHHR-UHFFFAOYSA-N	-1	3	313.582	3.815	10	0		DHAEHM
[O-]c1ccc(CNc2ccc3cn[nH]c3c2)cc1Br	ZINC000062702658	184247951	/nfs/dbraw/zinc/24/79/51/184247951.db2.gz	DRRXLVVPWTVPDV-UHFFFAOYSA-N	-1	3	318.174	3.643	10	0		DHAEHM
[O-]c1ccc(CNc2ccc3c[nH]nc3c2)cc1Br	ZINC000062702658	184247953	/nfs/dbraw/zinc/24/79/53/184247953.db2.gz	DRRXLVVPWTVPDV-UHFFFAOYSA-N	-1	3	318.174	3.643	10	0		DHAEHM
CC(C)(C)c1cn2nc(NCc3ccc([O-])c(F)c3)sc2n1	ZINC000301336183	336301293	/nfs/dbraw/zinc/30/12/93/336301293.db2.gz	CHQKMHZBLGLZKF-UHFFFAOYSA-N	-1	3	320.393	3.545	10	0		DHAEHM
[O-]c1ccc(CNc2nc3ccccc3[nH]2)cc1Br	ZINC000301869581	336335275	/nfs/dbraw/zinc/33/52/75/336335275.db2.gz	IJQMUIRYOGDYMO-UHFFFAOYSA-N	-1	3	318.174	3.643	10	0		DHAEHM
O=C([O-])CCN(Cc1ccccc1)Cc1ccc(Cl)c(F)c1	ZINC000692429226	976470001	/nfs/dbraw/zinc/47/00/01/976470001.db2.gz	SCOAQNYIUAWNIY-UHFFFAOYSA-N	-1	3	321.779	3.956	10	0		DHAEHM
O=C([O-])CCN(Cc1ccccc1)Cc1cnc2ccccc2c1	ZINC000692461138	976491296	/nfs/dbraw/zinc/49/12/96/976491296.db2.gz	IQDJRSRWOSKIHJ-UHFFFAOYSA-N	-1	3	320.392	3.712	10	0		DHAEHM
CS[C@@H]1CC[C@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC000707342516	977384655	/nfs/dbraw/zinc/38/46/55/977384655.db2.gz	GSMMHOLZDGFRAB-NWDGAFQWSA-N	-1	3	313.850	3.754	10	0		DHAEHM
O=Cc1c(Br)c([O-])ccc1OCc1ccccc1	ZINC000095616850	185382662	/nfs/dbraw/zinc/38/26/62/185382662.db2.gz	ICQZFGMHVSOZTP-UHFFFAOYSA-N	-1	3	307.143	3.546	10	0		DHAEHM
COc1cccc(-c2cc(=O)[n-]c(-c3ccc(Cl)cc3)n2)c1	ZINC000073696397	191343118	/nfs/dbraw/zinc/34/31/18/191343118.db2.gz	SMNCDZKOCMLJRE-UHFFFAOYSA-N	-1	3	312.756	3.766	10	0		DHAEHM
Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c([O-])c1	ZINC000015923034	182024450	/nfs/dbraw/zinc/02/44/50/182024450.db2.gz	UFXJQCWUOBPNGG-LLVKDONJSA-N	-1	3	305.761	3.760	10	0		DHAEHM
COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c([O-])c1	ZINC000023498990	182362372	/nfs/dbraw/zinc/36/23/72/182362372.db2.gz	DVSNFNMJMVYNIV-SNVBAGLBSA-N	-1	3	305.761	3.545	10	0		DHAEHM
Cc1ccc(C)c(Nc2ncnc([N-]c3nccs3)c2N)c1	ZINC000040704532	183119670	/nfs/dbraw/zinc/11/96/70/183119670.db2.gz	VNVLZMXCKUAACJ-UHFFFAOYSA-N	-1	3	312.402	3.619	10	0		DHAEHM
COc1cc(/C=C/c2cc(OC)c([O-])c(OC)c2)cc(OC)c1	ZINC000040763455	183130730	/nfs/dbraw/zinc/13/07/30/183130730.db2.gz	NWBPDRBOIZARAC-AATRIKPKSA-N	-1	3	316.353	3.597	10	0		DHAEHM
Cc1ccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)c(C)c1	ZINC000041055690	183160341	/nfs/dbraw/zinc/16/03/41/183160341.db2.gz	MLLCDCCWQGRCHT-UHFFFAOYSA-N	-1	3	310.328	3.536	10	0		DHAEHM
Cc1ccc(NC(=O)c2cnc3c(F)cccc3c2[O-])c(C)c1	ZINC000041055690	183160343	/nfs/dbraw/zinc/16/03/43/183160343.db2.gz	MLLCDCCWQGRCHT-UHFFFAOYSA-N	-1	3	310.328	3.536	10	0		DHAEHM
O=C(Nc1cccc(Cl)c1)c1c[n-]c2c(F)cccc2c1=O	ZINC000041055660	183160474	/nfs/dbraw/zinc/16/04/74/183160474.db2.gz	ZUCWTEBIGSCYNQ-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
O=C(Nc1cccc(Cl)c1)c1cnc2c(F)cccc2c1[O-]	ZINC000041055660	183160478	/nfs/dbraw/zinc/16/04/78/183160478.db2.gz	ZUCWTEBIGSCYNQ-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2cc(F)ccc2Cl)[n-]1	ZINC000057341549	184033702	/nfs/dbraw/zinc/03/37/02/184033702.db2.gz	GFNVRCZAPRMUEO-UHFFFAOYSA-N	-1	3	315.735	3.973	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2cccc(Cl)c2F)[n-]1	ZINC000057341548	184033855	/nfs/dbraw/zinc/03/38/55/184033855.db2.gz	AKSNMHKLCXHWDQ-UHFFFAOYSA-N	-1	3	315.735	3.973	10	0		DHAEHM
COc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1	ZINC000048931121	334302735	/nfs/dbraw/zinc/30/27/35/334302735.db2.gz	DAJQBUINKQSAQK-JTQLQIEISA-N	-1	3	305.761	3.545	10	0		DHAEHM
O=C([O-])[C@@H]1CCC[C@@H](NCc2cc(Cl)sc2Cl)C1	ZINC000308362551	334859752	/nfs/dbraw/zinc/85/97/52/334859752.db2.gz	YUFWBDITMVVTSK-VXNVDRBHSA-N	-1	3	308.230	3.788	10	0		DHAEHM
CCCCCCNC(=O)c1cc(Cl)c(C(F)(F)F)[n-]c1=O	ZINC000584633109	337377400	/nfs/dbraw/zinc/37/74/00/337377400.db2.gz	XGJWBOGUABGVLP-UHFFFAOYSA-N	-1	3	324.730	3.770	10	0		DHAEHM
Cc1sc(C(=O)[O-])cc1CN(Cc1ccccc1)C1CC1	ZINC000383538550	971875324	/nfs/dbraw/zinc/87/53/24/971875324.db2.gz	CXVQOYACCAUELR-UHFFFAOYSA-N	-1	3	301.411	3.919	10	0		DHAEHM
C[C@@H]1CCN(CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-]	ZINC000722138060	955194129	/nfs/dbraw/zinc/19/41/29/955194129.db2.gz	FRZFPGPZCPAMMC-YGRLFVJLSA-N	-1	3	316.228	3.579	10	0		DHAEHM
CSc1nccc(C=C([O-])c2ccc(Cl)cc2Cl)n1	ZINC000090557052	185303126	/nfs/dbraw/zinc/30/31/26/185303126.db2.gz	BFYJSZWPMWHXNF-UHFFFAOYSA-N	-1	3	313.209	3.931	10	0		DHAEHM
Cc1cc(N(C)Cc2ccccc2)c2ccc(C(=O)[O-])cc2n1	ZINC000004226522	181086192	/nfs/dbraw/zinc/08/61/92/181086192.db2.gz	TZSLXSZGGSWMPA-UHFFFAOYSA-N	-1	3	306.365	3.878	10	0		DHAEHM
O=c1cc(-c2ccccn2)nc(-c2ccc(C(F)(F)F)cc2)[n-]1	ZINC000073661904	191337916	/nfs/dbraw/zinc/33/79/16/191337916.db2.gz	VVGCBXVGVGWITG-UHFFFAOYSA-N	-1	3	317.270	3.518	10	0		DHAEHM
COc1cc(C)c([N-]S(=O)(=O)c2ccccc2)cc1C(C)C	ZINC000006859003	181398781	/nfs/dbraw/zinc/39/87/81/181398781.db2.gz	HBTFDDKRBJIUFI-UHFFFAOYSA-N	-1	3	319.426	3.928	10	0		DHAEHM
Cc1ccc(Nc2ncnc([N-]c3nccs3)c2N)cc1C	ZINC000040702855	183119867	/nfs/dbraw/zinc/11/98/67/183119867.db2.gz	GWEAWDMWSCFTFG-UHFFFAOYSA-N	-1	3	312.402	3.619	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2cc(Cl)ccc2F)[n-]1	ZINC000057341554	184033686	/nfs/dbraw/zinc/03/36/86/184033686.db2.gz	VSMLMVAWQQHZLA-UHFFFAOYSA-N	-1	3	315.735	3.973	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(C)cc3F)n2)c1	ZINC000057342027	184034449	/nfs/dbraw/zinc/03/44/49/184034449.db2.gz	STUPULCFXFDTLY-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(F)cc3C)n2)c1	ZINC000057341978	184034533	/nfs/dbraw/zinc/03/45/33/184034533.db2.gz	JVINPKUTWJIHMY-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
COc1cc(OC)cc(-c2cc([O-])cc(Br)c2)c1	ZINC000065343888	184325266	/nfs/dbraw/zinc/32/52/66/184325266.db2.gz	ODGIXQMTBYXZAC-UHFFFAOYSA-N	-1	3	309.159	3.839	10	0		DHAEHM
C[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000227816086	526055490	/nfs/dbraw/zinc/05/54/90/526055490.db2.gz	PHWPXPKXLCSUKF-KBVBSXBZSA-N	-1	3	302.201	3.707	10	0		DHAEHM
O=C([O-])c1coc(CNCCc2ccc(Cl)cc2Cl)c1	ZINC000228154548	959994651	/nfs/dbraw/zinc/99/46/51/959994651.db2.gz	OWWKNFOQVURESI-UHFFFAOYSA-N	-1	3	314.168	3.617	10	0		DHAEHM
C[C@H](NCc1ccoc1C(=O)[O-])c1ccc(Br)cc1	ZINC000235519847	960450297	/nfs/dbraw/zinc/45/02/97/960450297.db2.gz	SNWDAWIUKUGXLQ-VIFPVBQESA-N	-1	3	324.174	3.591	10	0		DHAEHM
C[C@@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(Cl)cc1Cl	ZINC000715273832	977718908	/nfs/dbraw/zinc/71/89/08/977718908.db2.gz	URYVTDYXQQRDLA-KNBVPPQFSA-N	-1	3	324.154	3.610	10	0		DHAEHM
CCCCCO[N-]C(=O)Nc1ccccc1Br	ZINC000005951345	181300254	/nfs/dbraw/zinc/30/02/54/181300254.db2.gz	SHHHFCQNNTZOBX-UHFFFAOYSA-N	-1	3	301.184	3.692	10	0		DHAEHM
CCn1cc(CNCc2ccc(C(=O)[O-])cc2)c2ccccc21	ZINC000020935167	182255037	/nfs/dbraw/zinc/25/50/37/182255037.db2.gz	OFWMWEJCADGPTE-UHFFFAOYSA-N	-1	3	308.381	3.649	10	0		DHAEHM
COc1ccc(-c2cc([O-])cc(Br)c2)c(OC)c1	ZINC000065343883	184325533	/nfs/dbraw/zinc/32/55/33/184325533.db2.gz	CCORBMRJSARVLG-UHFFFAOYSA-N	-1	3	309.159	3.839	10	0		DHAEHM
CC(C)(C)c1nccc(Sc2nnc(-c3cccs3)[n-]2)n1	ZINC000301556870	336314660	/nfs/dbraw/zinc/31/46/60/336314660.db2.gz	WUVZBCPXGUATNA-UHFFFAOYSA-N	-1	3	317.443	3.772	10	0		DHAEHM
CC(C)(C)c1nccc(Sc2nc(-c3cccs3)n[n-]2)n1	ZINC000301556870	336314661	/nfs/dbraw/zinc/31/46/61/336314661.db2.gz	WUVZBCPXGUATNA-UHFFFAOYSA-N	-1	3	317.443	3.772	10	0		DHAEHM
CC(C)(C)c1nccc(Sc2n[n-]c(-c3cccs3)n2)n1	ZINC000301556870	336314662	/nfs/dbraw/zinc/31/46/62/336314662.db2.gz	WUVZBCPXGUATNA-UHFFFAOYSA-N	-1	3	317.443	3.772	10	0		DHAEHM
O=C(C1CC1)N1CCC(c2ccc([O-])c(C(F)(F)F)c2)CC1	ZINC000584606379	337371726	/nfs/dbraw/zinc/37/17/26/337371726.db2.gz	SWAWSLISMJDBPR-UHFFFAOYSA-N	-1	3	313.319	3.527	10	0		DHAEHM
COc1ccc2c(c1)CCC[C@@H]2NCc1cccc(C(=O)[O-])c1	ZINC000263382954	337627262	/nfs/dbraw/zinc/62/72/62/337627262.db2.gz	CEAHYWPHKPVBCR-SFHVURJKSA-N	-1	3	311.381	3.561	10	0		DHAEHM
Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccs2)sc1Cl	ZINC000191841709	340559575	/nfs/dbraw/zinc/55/95/75/340559575.db2.gz	MXMDVEZKELZATH-MRVPVSSYSA-N	-1	3	321.876	3.811	10	0		DHAEHM
CN1CCN=C(c2cc(Cl)ccc2[O-])C=C1c1ccccc1	ZINC000000044304	563211712	/nfs/dbraw/zinc/21/17/12/563211712.db2.gz	DQEWTZRXQLTMOA-UHFFFAOYSA-N	-1	3	312.800	3.821	10	0		DHAEHM
CCCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F	ZINC000383536933	971875509	/nfs/dbraw/zinc/87/55/09/971875509.db2.gz	CHXBCQWOACBGCH-UHFFFAOYSA-N	-1	3	301.361	3.936	10	0		DHAEHM
CC[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1Br	ZINC000226720612	959897454	/nfs/dbraw/zinc/89/74/54/959897454.db2.gz	ZGHUQWITJFTHRK-LBPRGKRZSA-N	-1	3	312.207	3.522	10	0		DHAEHM
CC(C)N(Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F	ZINC000309530348	963353532	/nfs/dbraw/zinc/35/35/32/963353532.db2.gz	FAFLIYRSJMKKKQ-UHFFFAOYSA-N	-1	3	301.361	3.935	10	0		DHAEHM
C[C@H](c1ccccc1C(F)(F)F)N1CCCC[C@@H]1C(=O)[O-]	ZINC000006416530	181339368	/nfs/dbraw/zinc/33/93/68/181339368.db2.gz	BWDRPOSNGDUAMA-ZWNOBZJWSA-N	-1	3	301.308	3.706	10	0		DHAEHM
Cc1ccc(C(=O)Nc2ccc(Br)cc2F)c([O-])c1	ZINC000019807263	182153009	/nfs/dbraw/zinc/15/30/09/182153009.db2.gz	UCLDIFGMOMTKKR-UHFFFAOYSA-N	-1	3	324.149	3.855	10	0		DHAEHM
[O-]c1ccc(CNCc2ccc(F)cc2)cc1Br	ZINC000057942675	184063467	/nfs/dbraw/zinc/06/34/67/184063467.db2.gz	NJMJZUKAJVNHCF-UHFFFAOYSA-N	-1	3	310.166	3.584	10	0		DHAEHM
CS[C@H]1CC[C@@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC000707342514	977384762	/nfs/dbraw/zinc/38/47/62/977384762.db2.gz	GSMMHOLZDGFRAB-NEPJUHHUSA-N	-1	3	313.850	3.754	10	0		DHAEHM
CC(C)CCO[N-]C(=O)Nc1ccc(Br)cc1	ZINC000005727071	181277380	/nfs/dbraw/zinc/27/73/80/181277380.db2.gz	BNGSNNCHOUPBOT-UHFFFAOYSA-N	-1	3	301.184	3.548	10	0		DHAEHM
Cc1ccc(Sc2ncnc([N-]c3nccs3)c2N)cc1	ZINC000040780823	183133249	/nfs/dbraw/zinc/13/32/49/183133249.db2.gz	ACCULPTVXWQQBS-UHFFFAOYSA-N	-1	3	315.427	3.719	10	0		DHAEHM
CC(C)c1nc2cc([O-])ccc2c(=O)n1-c1ccc(Cl)cc1	ZINC000066054781	184385263	/nfs/dbraw/zinc/38/52/63/184385263.db2.gz	OJVMSICJWQFIOS-UHFFFAOYSA-N	-1	3	314.772	3.868	10	0		DHAEHM
Cc1ccc([O-])c(CN[C@H](C)c2cccc(Br)c2)n1	ZINC000103341490	332968727	/nfs/dbraw/zinc/96/87/27/332968727.db2.gz	OLIDLIVLGCAVJY-LLVKDONJSA-N	-1	3	321.218	3.709	10	0		DHAEHM
O=C(Nc1ccc([O-])cc1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1	ZINC000124511219	337405888	/nfs/dbraw/zinc/40/58/88/337405888.db2.gz	MCHKBRMTPSYLFO-QWRGUYRKSA-N	-1	3	307.271	3.552	10	0		DHAEHM
Cc1ccc([C@@H](C)NC(=O)c2cc([O-])ccc2C(F)(F)F)o1	ZINC000188942668	525716393	/nfs/dbraw/zinc/71/63/93/525716393.db2.gz	LVMHYTJCYWTOFI-SECBINFHSA-N	-1	3	313.275	3.803	10	0		DHAEHM
C[C@@H](NCC1CC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-]	ZINC000096296894	563936228	/nfs/dbraw/zinc/93/62/28/563936228.db2.gz	KGBVFDBXQYDOME-SECBINFHSA-N	-1	3	320.776	3.754	10	0	biogenic	DHAEHM
Cc1cccc(CN(CCC(=O)[O-])Cc2ccccc2)c1F	ZINC000692441661	976478400	/nfs/dbraw/zinc/47/84/00/976478400.db2.gz	TXXPUUWGVGBAQJ-UHFFFAOYSA-N	-1	3	301.361	3.611	10	0		DHAEHM
[O-]c1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1	ZINC000004953034	181179094	/nfs/dbraw/zinc/17/90/94/181179094.db2.gz	OEKBIIKUZMEOMM-OAHLLOKOSA-N	-1	3	324.771	3.751	10	0		DHAEHM
[O-]c1c(Br)ccc2c1C[C@@H](c1ccccc1)OC2	ZINC000006116294	181313410	/nfs/dbraw/zinc/31/34/10/181313410.db2.gz	LDHSLLYHMNIOOP-AWEZNQCLSA-N	-1	3	305.171	3.969	10	0		DHAEHM
CCc1ccc(Nc2ncnc([N-]c3nccs3)c2N)cc1	ZINC000040688486	183117679	/nfs/dbraw/zinc/11/76/79/183117679.db2.gz	NNMZIZJOGCSQHW-UHFFFAOYSA-N	-1	3	312.402	3.565	10	0		DHAEHM
CCCNc1ncnc([N-]c2nc3ccc(C)cc3s2)c1N	ZINC000040707810	183121401	/nfs/dbraw/zinc/12/14/01/183121401.db2.gz	MMTSHZRDECVXGJ-UHFFFAOYSA-N	-1	3	314.418	3.542	10	0		DHAEHM
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1cncc([O-])c1	ZINC000179416341	331523561	/nfs/dbraw/zinc/52/35/61/331523561.db2.gz	YCMBTAXMGVHOTL-DGDCUBRUSA-N	-1	3	316.788	3.673	10	0		DHAEHM
C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(O)cc1[O-]	ZINC000193124925	336404210	/nfs/dbraw/zinc/40/42/10/336404210.db2.gz	CEDSHBDZYXYHPC-JTQLQIEISA-N	-1	3	305.761	3.584	10	0		DHAEHM
CSC1(CN[C@@H](C)c2ncc(C(=O)[O-])s2)CCCCC1	ZINC000314632187	963780866	/nfs/dbraw/zinc/78/08/66/963780866.db2.gz	JBUGCVFTWRIGHN-JTQLQIEISA-N	-1	3	314.476	3.558	10	0		DHAEHM
CCCNc1ncnc([N-]c2nc3c(cccc3C)s2)c1N	ZINC000040707808	183121385	/nfs/dbraw/zinc/12/13/85/183121385.db2.gz	FWEQOBWMLSPCNF-UHFFFAOYSA-N	-1	3	314.418	3.542	10	0		DHAEHM
Cc1cc(C)cc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)c1	ZINC000041055663	183159889	/nfs/dbraw/zinc/15/98/89/183159889.db2.gz	FVSNBKUWONCEMY-UHFFFAOYSA-N	-1	3	310.328	3.536	10	0		DHAEHM
Cc1cc(C)cc(NC(=O)c2cnc3c(F)cccc3c2[O-])c1	ZINC000041055663	183159892	/nfs/dbraw/zinc/15/98/92/183159892.db2.gz	FVSNBKUWONCEMY-UHFFFAOYSA-N	-1	3	310.328	3.536	10	0		DHAEHM
O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccc([O-])c1	ZINC000182825338	337188434	/nfs/dbraw/zinc/18/84/34/337188434.db2.gz	PFHQDIKEYPTSDM-QGZVFWFLSA-N	-1	3	323.392	3.959	10	0		DHAEHM
Cc1nn(C(C)C)cc1NCc1ccc([O-])c(Br)c1	ZINC000725242611	563525715	/nfs/dbraw/zinc/52/57/15/563525715.db2.gz	MFKLIZFPTHEWDM-UHFFFAOYSA-N	-1	3	324.222	3.853	10	0		DHAEHM
Cc1cc(NC(=O)c2ccc(F)cc2)cc(Br)c1[O-]	ZINC000226242903	568420688	/nfs/dbraw/zinc/42/06/88/568420688.db2.gz	FFWFCJRYOQOJET-UHFFFAOYSA-N	-1	3	324.149	3.855	10	0		DHAEHM
CC1(C(=O)[O-])CCN(CCc2cc(Cl)cc(Cl)c2)CC1	ZINC000722133940	955193401	/nfs/dbraw/zinc/19/34/01/955193401.db2.gz	XAAXCRYZXPJOOF-UHFFFAOYSA-N	-1	3	316.228	3.723	10	0		DHAEHM
C[C@@H]1CC[C@@H](C(=O)[O-])CN1CCc1cc(Cl)cc(Cl)c1	ZINC000722136145	955194005	/nfs/dbraw/zinc/19/40/05/955194005.db2.gz	QYBXKCXRROHRPV-ZYHUDNBSSA-N	-1	3	316.228	3.721	10	0		DHAEHM
C[C@@H](c1cccc(C(F)(F)F)c1)N1CCC(C(=O)[O-])CC1	ZINC000003760679	181045366	/nfs/dbraw/zinc/04/53/66/181045366.db2.gz	RWUXYYDBYCSGMF-JTQLQIEISA-N	-1	3	301.308	3.563	10	0		DHAEHM
COc1ccc(-c2cc(=O)[n-]c(-c3cccc(Cl)c3)n2)cc1	ZINC000073696363	191342944	/nfs/dbraw/zinc/34/29/44/191342944.db2.gz	HDPAJSRCGTVONR-UHFFFAOYSA-N	-1	3	312.756	3.766	10	0		DHAEHM
Cc1ccc(NC(=O)c2ccc([O-])cc2)c(Br)c1	ZINC000019515406	182127432	/nfs/dbraw/zinc/12/74/32/182127432.db2.gz	LSJJQBXWXMSGNM-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
Cc1ccc(/C=C2\SC(=O)N(c3ccc([O-])cc3)C2=O)cc1	ZINC000039860415	183022212	/nfs/dbraw/zinc/02/22/12/183022212.db2.gz	AUEDUGYYSWZOLT-GDNBJRDFSA-N	-1	3	311.362	3.942	10	0		DHAEHM
Cc1nc([N-]c2ncnc(Oc3ccccc3)c2N)sc1C	ZINC000040783110	183133711	/nfs/dbraw/zinc/13/37/11/183133711.db2.gz	JNYSHLGRLQUNAW-UHFFFAOYSA-N	-1	3	313.386	3.668	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cc(F)ccc3C)n2)cc1	ZINC000057342082	184034391	/nfs/dbraw/zinc/03/43/91/184034391.db2.gz	GZBRDTDQUMVHDC-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2cc(F)c(F)cc2F)[n-]1	ZINC000057341557	184034400	/nfs/dbraw/zinc/03/44/00/184034400.db2.gz	CACNECRJTYUBAK-UHFFFAOYSA-N	-1	3	317.270	3.598	10	0		DHAEHM
CN(C)C(=O)c1ccc(-c2cc([O-])cc(C(F)(F)F)c2)cc1	ZINC000065344344	184325999	/nfs/dbraw/zinc/32/59/99/184325999.db2.gz	BKCLAHJAVVYLMW-UHFFFAOYSA-N	-1	3	309.287	3.780	10	0		DHAEHM
[O-]c1ccccc1-c1nc(COc2ccccc2Cl)no1	ZINC000040542148	526368036	/nfs/dbraw/zinc/36/80/36/526368036.db2.gz	UIMCVYUGOAOABR-UHFFFAOYSA-N	-1	3	302.717	3.675	10	0		DHAEHM
Cc1ccc(CN(CCC(=O)[O-])Cc2ccccc2)c(F)c1	ZINC000686309809	976104291	/nfs/dbraw/zinc/10/42/91/976104291.db2.gz	ZOICONSYQWRXMY-UHFFFAOYSA-N	-1	3	301.361	3.611	10	0		DHAEHM
CCOc1ccccc1CN(CCC(=O)[O-])Cc1ccccc1	ZINC000692445620	976481033	/nfs/dbraw/zinc/48/10/33/976481033.db2.gz	ODCHKKJHSJVOJJ-UHFFFAOYSA-N	-1	3	313.397	3.562	10	0		DHAEHM
CS[C@@H]1CC[C@@H](N(C)Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC000707342521	977384856	/nfs/dbraw/zinc/38/48/56/977384856.db2.gz	GSMMHOLZDGFRAB-VXGBXAGGSA-N	-1	3	313.850	3.754	10	0		DHAEHM
O=C([O-])c1ccc(CN[C@]23C[C@H]2CCCC3)c(Br)c1	ZINC000710328463	977504108	/nfs/dbraw/zinc/50/41/08/977504108.db2.gz	CSEJOOLWXBMGIQ-IUODEOHRSA-N	-1	3	324.218	3.570	10	0		DHAEHM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)S1	ZINC000006505516	181346859	/nfs/dbraw/zinc/34/68/59/181346859.db2.gz	FWEPNYNOKOHTNJ-WUXMJOGZSA-N	-1	3	307.277	3.549	10	0		DHAEHM
Cc1ccc2nc([N-]c3ncnc(NC(C)C)c3N)sc2c1	ZINC000040708207	183120804	/nfs/dbraw/zinc/12/08/04/183120804.db2.gz	ZLHALNXRJHFLJM-UHFFFAOYSA-N	-1	3	314.418	3.541	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(C)c(F)c3)n2)c1	ZINC000057341925	184034220	/nfs/dbraw/zinc/03/42/20/184034220.db2.gz	AUEOTVRERNYPHY-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cc(C)ccc3F)n2)cc1	ZINC000057342156	184034274	/nfs/dbraw/zinc/03/42/74/184034274.db2.gz	NGUIJSIWRFIZCE-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3cc(F)ccc3C)n2)c1	ZINC000057341956	184034364	/nfs/dbraw/zinc/03/43/64/184034364.db2.gz	XEJPOAMQYNWFGG-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3c(F)cccc3F)n2)c1	ZINC000057341921	184034429	/nfs/dbraw/zinc/03/44/29/184034429.db2.gz	ZOJJJFJPNICCLG-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
CCCCNc1nc(CSc2ccc(C)cc2)cc(=O)[n-]1	ZINC000058824146	184129250	/nfs/dbraw/zinc/12/92/50/184129250.db2.gz	LYMXZRXWHYLPDD-UHFFFAOYSA-N	-1	3	303.431	3.583	10	0		DHAEHM
Cc1ccc(SCc2cc(=O)[n-]c(NC3CCCC3)n2)cc1	ZINC000058824173	184129324	/nfs/dbraw/zinc/12/93/24/184129324.db2.gz	GFWNCGPIIHIYSM-UHFFFAOYSA-N	-1	3	315.442	3.725	10	0		DHAEHM
Cn1nc2c(cccc2C(F)(F)F)c1-c1ccc(O)cc1[O-]	ZINC000504630097	257143170	/nfs/dbraw/zinc/14/31/70/257143170.db2.gz	KMFNFDJWIBXPJO-UHFFFAOYSA-N	-1	3	308.259	3.670	10	0		DHAEHM
COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1[O-]	ZINC000042253677	336237905	/nfs/dbraw/zinc/23/79/05/336237905.db2.gz	OOTIZDHXVRZFJA-SNVBAGLBSA-N	-1	3	305.761	3.545	10	0		DHAEHM
[O-]c1cccc(CN[C@H]2CCc3ccccc32)c1Br	ZINC000315065087	337980343	/nfs/dbraw/zinc/98/03/43/337980343.db2.gz	VQKRGZHQZZBILS-AWEZNQCLSA-N	-1	3	318.214	3.932	10	0		DHAEHM
CN1CCc2cc(Cl)c([O-])cc2[C@H]2c3ccccc3CC[C@@H]21	ZINC000000003897	563775278	/nfs/dbraw/zinc/77/52/78/563775278.db2.gz	DMJWENQHWZZWDF-PKOBYXMFSA-N	-1	3	313.828	3.980	10	0	investigational	DHAEHM
C[C@H]1C[C@@H](C(=O)[O-])CN(CCc2cc(Cl)cc(Cl)c2)C1	ZINC000722135614	955193981	/nfs/dbraw/zinc/19/39/81/955193981.db2.gz	MVDJOFDGZGXYBT-CMPLNLGQSA-N	-1	3	316.228	3.579	10	0		DHAEHM
Cc1cc(NCCc2ccccc2)c2cc(C(=O)[O-])ccc2n1	ZINC000004226430	181086128	/nfs/dbraw/zinc/08/61/28/181086128.db2.gz	YMALWLGZCYDPKF-UHFFFAOYSA-N	-1	3	306.365	3.896	10	0		DHAEHM
Cc1cc(NCCc2ccccc2)c2cccc(C(=O)[O-])c2n1	ZINC000004226585	181086199	/nfs/dbraw/zinc/08/61/99/181086199.db2.gz	LEURRNRUZMBJME-UHFFFAOYSA-N	-1	3	306.365	3.896	10	0		DHAEHM
Cc1cc(NC(=O)c2ccc([O-])cc2)ccc1Br	ZINC000019479283	182125395	/nfs/dbraw/zinc/12/53/95/182125395.db2.gz	MLKUFTGOGBTHKS-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
COC(=O)c1c(C)nc(-c2cc3ccccc3o2)[n-]c1=S	ZINC000019807272	182152755	/nfs/dbraw/zinc/15/27/55/182152755.db2.gz	NVSNNLXGWRCXQQ-UHFFFAOYSA-N	-1	3	300.339	3.647	10	0		DHAEHM
Cc1cccc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)c1	ZINC000041055999	183160262	/nfs/dbraw/zinc/16/02/62/183160262.db2.gz	POJYNMNBWAVNMZ-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
Cc1cccc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])c1	ZINC000041055999	183160263	/nfs/dbraw/zinc/16/02/63/183160263.db2.gz	POJYNMNBWAVNMZ-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
CC(C)c1cc(C(=O)N2Cc3cccc(F)c3C2)c([O-])cc1O	ZINC000058583686	184123728	/nfs/dbraw/zinc/12/37/28/184123728.db2.gz	IOFDJWNVQIKEFM-UHFFFAOYSA-N	-1	3	315.344	3.516	10	0		DHAEHM
CCOC(=O)c1ccc(-c2cc([O-])cc(Br)c2)cc1	ZINC000065343921	184326220	/nfs/dbraw/zinc/32/62/20/184326220.db2.gz	QTIZMPBLIVGCKB-UHFFFAOYSA-N	-1	3	321.170	3.998	10	0		DHAEHM
Cc1ccc(NCc2n[n-]c(=S)n2-c2ccccc2C)cc1	ZINC000334163175	257262579	/nfs/dbraw/zinc/26/25/79/257262579.db2.gz	VSJIWGHWMXQUJO-UHFFFAOYSA-N	-1	3	310.426	3.785	10	0		DHAEHM
C[C@@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000227817096	526028056	/nfs/dbraw/zinc/02/80/56/526028056.db2.gz	YXQZZTNDBVYIMT-VDDIYKPWSA-N	-1	3	302.201	3.707	10	0		DHAEHM
CCN(Cc1ccc(C(=O)[O-])cc1Br)C(C)(C)C	ZINC000382207555	971803145	/nfs/dbraw/zinc/80/31/45/971803145.db2.gz	CICRIDMKXKSSLV-UHFFFAOYSA-N	-1	3	314.223	3.768	10	0		DHAEHM
O=C([O-])c1ccc(CN[C@@H]2CC23CCCC3)c(Br)c1	ZINC000387343567	972118756	/nfs/dbraw/zinc/11/87/56/972118756.db2.gz	UIRPZFBHLALGMQ-CYBMUJFWSA-N	-1	3	324.218	3.570	10	0		DHAEHM
Cc1cc(CN2CCc3c(cccc3C(=O)[O-])C2)c(C)s1	ZINC000124618614	958539321	/nfs/dbraw/zinc/53/93/21/958539321.db2.gz	NGIUHNJLMDMJIM-UHFFFAOYSA-N	-1	3	301.411	3.621	10	0		DHAEHM
C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(Cl)s1	ZINC000167611804	959351229	/nfs/dbraw/zinc/35/12/29/959351229.db2.gz	BUAGLTRTWOUIEE-SNVBAGLBSA-N	-1	3	309.818	3.879	10	0		DHAEHM
Cc1ccc(-n2ncc3c2nc(SC(C)C)[n-]c3=O)cc1C	ZINC000006556873	181354442	/nfs/dbraw/zinc/35/44/42/181354442.db2.gz	HJJHXERKHZFPCX-UHFFFAOYSA-N	-1	3	314.414	3.638	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(F)cc3C)n2)cc1	ZINC000057342100	184034203	/nfs/dbraw/zinc/03/42/03/184034203.db2.gz	GYSXWMFMFVASNA-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(F)c(C)c3)n2)cc1	ZINC000057342115	184034465	/nfs/dbraw/zinc/03/44/65/184034465.db2.gz	SKBHWZXTQJKKDX-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
Cc1nc(-c2ccc(Br)cc2)[n-]c(=O)c1C(C)C	ZINC000061688264	184182997	/nfs/dbraw/zinc/18/29/97/184182997.db2.gz	QHZFQJULIALLTQ-UHFFFAOYSA-N	-1	3	307.191	3.631	10	0		DHAEHM
CCc1ccc([O-])c(-c2nc(Cc3ccc(OC)cc3)no2)c1	ZINC000184849448	333368045	/nfs/dbraw/zinc/36/80/45/333368045.db2.gz	VRYMVGCEOSBZBT-UHFFFAOYSA-N	-1	3	310.353	3.604	10	0		DHAEHM
CC[N-]S(=O)(=O)c1occc1-c1cc(Cl)ccc1Cl	ZINC000675052907	563855852	/nfs/dbraw/zinc/85/58/52/563855852.db2.gz	CDZAXYQNUUQBQK-UHFFFAOYSA-N	-1	3	320.197	3.552	10	0		DHAEHM
[O-]c1ccc(OC2CCCCC2)cc1I	ZINC000095724725	185383411	/nfs/dbraw/zinc/38/34/11/185383411.db2.gz	XFEDHJKGXCLZPT-UHFFFAOYSA-N	-1	3	318.154	3.708	10	0		DHAEHM
C[C@H](c1ccccc1C(F)(F)F)N1CCC(C(=O)[O-])CC1	ZINC000003760624	181045147	/nfs/dbraw/zinc/04/51/47/181045147.db2.gz	UHFFQSPDCWHCGJ-SNVBAGLBSA-N	-1	3	301.308	3.563	10	0		DHAEHM
Cc1cc(N(C)Cc2ccccc2)c2cc(C(=O)[O-])ccc2n1	ZINC000004226426	181086354	/nfs/dbraw/zinc/08/63/54/181086354.db2.gz	IWDOJTVLEBPEBW-UHFFFAOYSA-N	-1	3	306.365	3.878	10	0		DHAEHM
CCCCC(=O)C1c2cccc([O-])c2C(=O)c2c(O)cccc21	ZINC000005819869	181286865	/nfs/dbraw/zinc/28/68/65/181286865.db2.gz	UYKMGHUKSVDIFU-UHFFFAOYSA-N	-1	3	310.349	3.533	10	0		DHAEHM
COc1cccc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])c1	ZINC000016891411	182062434	/nfs/dbraw/zinc/06/24/34/182062434.db2.gz	PINHOWNKDCGMCR-VMPITWQZSA-N	-1	3	303.745	3.706	10	0		DHAEHM
O=C([O-])c1ccc2nc3c(c(N4CCCCCC4)c2c1)CCC3	ZINC000019794256	182149883	/nfs/dbraw/zinc/14/98/83/182149883.db2.gz	PXYMFRAGVLNTLQ-UHFFFAOYSA-N	-1	3	310.397	3.802	10	0		DHAEHM
Cc1cc([N-]c2ncnc(Sc3ccc(C)cc3)c2N)no1	ZINC000040681024	183117081	/nfs/dbraw/zinc/11/70/81/183117081.db2.gz	NQVGZJCVCDYSGL-UHFFFAOYSA-N	-1	3	313.386	3.558	10	0		DHAEHM
Cc1cccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)c1C	ZINC000041055684	183160362	/nfs/dbraw/zinc/16/03/62/183160362.db2.gz	UABIENHRHMESRH-UHFFFAOYSA-N	-1	3	310.328	3.536	10	0		DHAEHM
Cc1cccc(NC(=O)c2cnc3c(F)cccc3c2[O-])c1C	ZINC000041055684	183160363	/nfs/dbraw/zinc/16/03/63/183160363.db2.gz	UABIENHRHMESRH-UHFFFAOYSA-N	-1	3	310.328	3.536	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3c(F)cccc3F)n2)cc1	ZINC000057342069	184034323	/nfs/dbraw/zinc/03/43/23/184034323.db2.gz	LBXRAMIZLMXDIK-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
C[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)cc1	ZINC000042259574	332240363	/nfs/dbraw/zinc/24/03/63/332240363.db2.gz	GDGPQGKNFLGSJV-VIFPVBQESA-N	-1	3	319.817	3.901	10	0		DHAEHM
Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1[O-]	ZINC000078744751	341247363	/nfs/dbraw/zinc/24/73/63/341247363.db2.gz	MCCSSLIBYWQKQR-MNOVXSKESA-N	-1	3	301.308	3.552	10	0		DHAEHM
C[C@H]1CC[C@@H](C(=O)[O-])CN1CCc1cc(Cl)cc(Cl)c1	ZINC000722136142	955193086	/nfs/dbraw/zinc/19/30/86/955193086.db2.gz	QYBXKCXRROHRPV-CMPLNLGQSA-N	-1	3	316.228	3.721	10	0		DHAEHM
CCC(C)(C)N(C)Cc1ccc(C(=O)[O-])cc1Br	ZINC000226731634	959899133	/nfs/dbraw/zinc/89/91/33/959899133.db2.gz	ZFZWTXUZTQYZCQ-UHFFFAOYSA-N	-1	3	314.223	3.768	10	0		DHAEHM
CSC1(CN[C@H](C)c2ncc(C(=O)[O-])s2)CCCCC1	ZINC000314632189	963780792	/nfs/dbraw/zinc/78/07/92/963780792.db2.gz	JBUGCVFTWRIGHN-SNVBAGLBSA-N	-1	3	314.476	3.558	10	0		DHAEHM
C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1Br	ZINC000023526006	182363352	/nfs/dbraw/zinc/36/33/52/182363352.db2.gz	LAKKXQZTWISIHY-JTQLQIEISA-N	-1	3	320.186	3.646	10	0		DHAEHM
Cc1cc(C)cc(Nc2ncnc([N-]c3nccs3)c2N)c1	ZINC000040681983	183116988	/nfs/dbraw/zinc/11/69/88/183116988.db2.gz	XTEZIHNUWPFCIT-UHFFFAOYSA-N	-1	3	312.402	3.619	10	0		DHAEHM
Nc1c([N-]c2nccs2)ncnc1Nc1ccc(Cl)cc1	ZINC000040780797	183133292	/nfs/dbraw/zinc/13/32/92/183133292.db2.gz	HRWLSHHKPQMNAA-UHFFFAOYSA-N	-1	3	318.793	3.656	10	0		DHAEHM
O=C(Nc1ccc(Cl)cc1)c1c[n-]c2c(F)cccc2c1=O	ZINC000041055745	183160255	/nfs/dbraw/zinc/16/02/55/183160255.db2.gz	ADCXEWPCAOYLAW-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
O=C(Nc1ccc(Cl)cc1)c1cnc2c(F)cccc2c1[O-]	ZINC000041055745	183160257	/nfs/dbraw/zinc/16/02/57/183160257.db2.gz	ADCXEWPCAOYLAW-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cc(F)ccc3F)n2)cc1	ZINC000057342088	184034371	/nfs/dbraw/zinc/03/43/71/184034371.db2.gz	PAYFZDDPMNBZHZ-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H]4CCCC[C@@H]43)nc2)n1	ZINC000301563025	336315174	/nfs/dbraw/zinc/31/51/74/336315174.db2.gz	JOLYNMSQWGSNHS-CJNGLKHVSA-N	-1	3	324.428	3.576	10	0		DHAEHM
O=c1cc(C(F)(F)F)[nH]c([O-])c1-c1ccc(Cl)cc1F	ZINC000584661977	337378436	/nfs/dbraw/zinc/37/84/36/337378436.db2.gz	OTYQUBVDJSFROV-UHFFFAOYSA-N	-1	3	307.630	3.971	10	0		DHAEHM
O=c1[nH]c(C(F)(F)F)cc([O-])c1-c1ccc(Cl)cc1F	ZINC000584661977	337378437	/nfs/dbraw/zinc/37/84/37/337378437.db2.gz	OTYQUBVDJSFROV-UHFFFAOYSA-N	-1	3	307.630	3.971	10	0		DHAEHM
Clc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1Cl	ZINC000584637637	337379520	/nfs/dbraw/zinc/37/95/20/337379520.db2.gz	RNOCCDCMHNBGFK-UHFFFAOYSA-N	-1	3	307.140	3.966	10	0		DHAEHM
Clc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1Cl	ZINC000584637637	337379521	/nfs/dbraw/zinc/37/95/21/337379521.db2.gz	RNOCCDCMHNBGFK-UHFFFAOYSA-N	-1	3	307.140	3.966	10	0		DHAEHM
Cc1[nH]c(CNCc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-]	ZINC000689218799	976242784	/nfs/dbraw/zinc/24/27/84/976242784.db2.gz	MKICMJFGEGAJEX-UHFFFAOYSA-N	-1	3	313.184	3.618	10	0		DHAEHM
O=C(Cc1ccc(F)cc1)c1ccc(Br)cc1[O-]	ZINC000095829723	185384168	/nfs/dbraw/zinc/38/41/68/185384168.db2.gz	TWAMNJXRNBNFSS-UHFFFAOYSA-N	-1	3	309.134	3.719	10	0		DHAEHM
CC(C)c1ccc(CNc2nc(C(F)(F)F)cc(=O)[n-]2)cc1	ZINC000057342668	184034563	/nfs/dbraw/zinc/03/45/63/184034563.db2.gz	SQSWAHMLRZJLLU-UHFFFAOYSA-N	-1	3	311.307	3.524	10	0		DHAEHM
CCCC1(C(=O)[O-])CCN(Cc2ccc(Cl)s2)CC1	ZINC000062847289	184256773	/nfs/dbraw/zinc/25/67/73/184256773.db2.gz	XLXHLFJUKGXGKA-UHFFFAOYSA-N	-1	3	301.839	3.868	10	0		DHAEHM
CCNC(=O)c1cccc(-c2cc([O-])cc(C(F)(F)F)c2)c1	ZINC000065344346	184326291	/nfs/dbraw/zinc/32/62/91/184326291.db2.gz	YYXTYLAIMKSANT-UHFFFAOYSA-N	-1	3	309.287	3.828	10	0		DHAEHM
COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1	ZINC000049931991	334361100	/nfs/dbraw/zinc/36/11/00/334361100.db2.gz	KVBCQKLQYKDLPA-JTQLQIEISA-N	-1	3	305.761	3.545	10	0		DHAEHM
COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1[O-]	ZINC000042373330	336239855	/nfs/dbraw/zinc/23/98/55/336239855.db2.gz	OLDLATBFTDYXFW-QMMMGPOBSA-N	-1	3	311.790	3.607	10	0		DHAEHM
Clc1cc(Cl)cc(Nc2ccccc2-c2nnn[n-]2)c1	ZINC000584592563	337373619	/nfs/dbraw/zinc/37/36/19/337373619.db2.gz	LJDZERZWWZOYJW-UHFFFAOYSA-N	-1	3	306.156	3.917	10	0		DHAEHM
Clc1cc(Cl)cc(Nc2ccccc2-c2nn[n-]n2)c1	ZINC000584592563	337373620	/nfs/dbraw/zinc/37/36/20/337373620.db2.gz	LJDZERZWWZOYJW-UHFFFAOYSA-N	-1	3	306.156	3.917	10	0		DHAEHM
COc1cc(-c2nc(C3CCCCC3)no2)cc(OC)c1[O-]	ZINC000131912207	521903608	/nfs/dbraw/zinc/90/36/08/521903608.db2.gz	IFEOIHWGSXJVEV-UHFFFAOYSA-N	-1	3	304.346	3.507	10	0		DHAEHM
O=C1CC2=C(CCCC2)N(C(=S)Nc2cccc(Cl)c2)[N-]1	ZINC000045796065	563465779	/nfs/dbraw/zinc/46/57/79/563465779.db2.gz	JYPUTIBQGRDDTB-UHFFFAOYSA-N	-1	3	321.833	3.602	10	0		DHAEHM
C[C@@H]1C[C@H](C(=O)[O-])CN(CCc2cc(Cl)cc(Cl)c2)C1	ZINC000722135616	955193266	/nfs/dbraw/zinc/19/32/66/955193266.db2.gz	MVDJOFDGZGXYBT-PWSUYJOCSA-N	-1	3	316.228	3.579	10	0		DHAEHM
C[C@H]1CC[C@H](C(=O)[O-])CN1CCc1cc(Cl)cc(Cl)c1	ZINC000722136143	955193372	/nfs/dbraw/zinc/19/33/72/955193372.db2.gz	QYBXKCXRROHRPV-JQWIXIFHSA-N	-1	3	316.228	3.721	10	0		DHAEHM
O=C([O-])c1ccc(CN[C@H]2CC23CCCC3)c(Br)c1	ZINC000387343574	972118530	/nfs/dbraw/zinc/11/85/30/972118530.db2.gz	UIRPZFBHLALGMQ-ZDUSSCGKSA-N	-1	3	324.218	3.570	10	0		DHAEHM
C[C@H](NCC(C)(C)c1cccs1)c1ncc(C(=O)[O-])s1	ZINC000314596805	963775371	/nfs/dbraw/zinc/77/53/71/963775371.db2.gz	CCKJUUSRTLXYDS-VIFPVBQESA-N	-1	3	310.444	3.531	10	0		DHAEHM
COc1cccc(-c2cc(=O)[n-]c(-c3cccc(Cl)c3)n2)c1	ZINC000073696359	191343165	/nfs/dbraw/zinc/34/31/65/191343165.db2.gz	CVHCHIQZLMOSTA-UHFFFAOYSA-N	-1	3	312.756	3.766	10	0		DHAEHM
COc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c([O-])c1	ZINC000023482609	182362439	/nfs/dbraw/zinc/36/24/39/182362439.db2.gz	XXBQTARKTFXRNK-JTQLQIEISA-N	-1	3	305.761	3.545	10	0		DHAEHM
O=C(Nc1ccc(F)cc1)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000041056013	183159933	/nfs/dbraw/zinc/15/99/33/183159933.db2.gz	WGDBVJGHXPEESH-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
O=C(Nc1ccc(F)cc1)c1cnc2cc(Cl)ccc2c1[O-]	ZINC000041056013	183159938	/nfs/dbraw/zinc/15/99/38/183159938.db2.gz	WGDBVJGHXPEESH-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3cccc(F)c3C)n2)c1	ZINC000057342033	184034348	/nfs/dbraw/zinc/03/43/48/184034348.db2.gz	UZPVVTDGOYDDRF-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
COC(=O)c1cc(-c2cc([O-])cc(C(F)(F)F)c2)cs1	ZINC000065344301	184326030	/nfs/dbraw/zinc/32/60/30/184326030.db2.gz	DHPOOPPIKQPZBH-UHFFFAOYSA-N	-1	3	302.273	3.926	10	0		DHAEHM
C[C@H](NC(=O)c1ccccc1[O-])c1cccc(Br)c1	ZINC000031940595	337733862	/nfs/dbraw/zinc/73/38/62/337733862.db2.gz	QOFMVAIPPCUTLT-JTQLQIEISA-N	-1	3	320.186	3.646	10	0		DHAEHM
Cc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1[O-]	ZINC000078744740	341247299	/nfs/dbraw/zinc/24/72/99/341247299.db2.gz	MCCSSLIBYWQKQR-QWRGUYRKSA-N	-1	3	301.308	3.552	10	0		DHAEHM
Cc1ccc([C@H](C)NC(=O)c2cc([O-])ccc2C(F)(F)F)o1	ZINC000188942692	525910742	/nfs/dbraw/zinc/91/07/42/525910742.db2.gz	LVMHYTJCYWTOFI-VIFPVBQESA-N	-1	3	313.275	3.803	10	0		DHAEHM
Fc1ccc(-c2nnc(=S)[n-]c2-c2ccc(F)cc2)cc1	ZINC000006322359	563332479	/nfs/dbraw/zinc/33/24/79/563332479.db2.gz	DLDBGTWAPXNUNC-UHFFFAOYSA-N	-1	3	301.321	3.773	10	0		DHAEHM
CC(C)N(Cc1cc(C(=O)[O-])ccc1Br)C(C)C	ZINC000675074008	563910957	/nfs/dbraw/zinc/91/09/57/563910957.db2.gz	WGVMVCIYSBUKJD-UHFFFAOYSA-N	-1	3	314.223	3.766	10	0		DHAEHM
CC(C)CCO[N-]C(=O)Nc1ccccc1Br	ZINC000005727078	181277047	/nfs/dbraw/zinc/27/70/47/181277047.db2.gz	MOTRHOCFVSRTEM-UHFFFAOYSA-N	-1	3	301.184	3.548	10	0		DHAEHM
[O-]c1ccc(CNCc2nc3ccccc3s2)cc1Cl	ZINC000043477201	183365585	/nfs/dbraw/zinc/36/55/85/183365585.db2.gz	LBFNZYKXWHHRMI-UHFFFAOYSA-N	-1	3	304.802	3.945	10	0		DHAEHM
Cc1ccc(CNCc2ccc([O-])c(Br)c2)cc1	ZINC000057942831	184063756	/nfs/dbraw/zinc/06/37/56/184063756.db2.gz	RZCHTPNIHIEWHW-UHFFFAOYSA-N	-1	3	306.203	3.753	10	0		DHAEHM
COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c([O-])c1	ZINC000042373327	336239942	/nfs/dbraw/zinc/23/99/42/336239942.db2.gz	PPFRIKNUZOCEEW-MRVPVSSYSA-N	-1	3	311.790	3.607	10	0		DHAEHM
CSC[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC000381586476	971765433	/nfs/dbraw/zinc/76/54/33/971765433.db2.gz	CRXKQYFIWPXKCF-NSHDSACASA-N	-1	3	313.850	3.613	10	0		DHAEHM
[O-]c1ccc(CN[C@@H]2CCc3ccccc32)cc1Br	ZINC000059514611	184139700	/nfs/dbraw/zinc/13/97/00/184139700.db2.gz	UAQYWKPOGNEOPB-OAHLLOKOSA-N	-1	3	318.214	3.932	10	0		DHAEHM
O=C(NC1CC1)c1cccc(-c2cc([O-])cc(C(F)(F)F)c2)c1	ZINC000065344384	184325881	/nfs/dbraw/zinc/32/58/81/184325881.db2.gz	BOKWTAYMIRKRHL-UHFFFAOYSA-N	-1	3	321.298	3.970	10	0		DHAEHM
CN(C)C(=O)c1cccc(-c2cc([O-])cc(Br)c2)c1	ZINC000065343916	184325927	/nfs/dbraw/zinc/32/59/27/184325927.db2.gz	HPYBAVXJESJDCW-UHFFFAOYSA-N	-1	3	320.186	3.524	10	0		DHAEHM
COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1[O-]	ZINC000042253675	336237977	/nfs/dbraw/zinc/23/79/77/336237977.db2.gz	OOTIZDHXVRZFJA-JTQLQIEISA-N	-1	3	305.761	3.545	10	0		DHAEHM
Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3c3ccco3)c[n-]c12	ZINC000163701278	524940831	/nfs/dbraw/zinc/94/08/31/524940831.db2.gz	RDQOOSTYTIWWGW-HNNXBMFYSA-N	-1	3	322.364	3.819	10	0		DHAEHM
CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1cccs1	ZINC000031073269	190657245	/nfs/dbraw/zinc/65/72/45/190657245.db2.gz	KOXPXJDZQQXJCZ-CQSZACIVSA-N	-1	3	313.419	3.563	10	0		DHAEHM
O=c1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)[n-]1	ZINC000146227128	186038134	/nfs/dbraw/zinc/03/81/34/186038134.db2.gz	OCRKXZONEGUGIO-UHFFFAOYSA-N	-1	3	309.074	3.763	10	0		DHAEHM
O=c1c([O-])c(-c2cccc(Br)c2)oc2ccccc12	ZINC000006583528	181356847	/nfs/dbraw/zinc/35/68/47/181356847.db2.gz	FTMVUENCCJQCAB-UHFFFAOYSA-N	-1	3	317.138	3.928	10	0		DHAEHM
O=C(c1ccc(F)cc1)c1cnc2c(Cl)cccc2c1[O-]	ZINC000006732992	181380030	/nfs/dbraw/zinc/38/00/30/181380030.db2.gz	DVNZFCOLCOZTHN-UHFFFAOYSA-N	-1	3	301.704	3.552	10	0		DHAEHM
Cc1ncc(CO)c(CNc2ccc(Cl)c(Cl)c2)c1[O-]	ZINC000006785020	181387888	/nfs/dbraw/zinc/38/78/88/181387888.db2.gz	FYQJKQUGZPKPOI-UHFFFAOYSA-N	-1	3	313.184	3.507	10	0		DHAEHM
Cc1cc(C)cc(Oc2ncnc([N-]c3nccs3)c2N)c1	ZINC000040681442	183117262	/nfs/dbraw/zinc/11/72/62/183117262.db2.gz	JZESAOCXROCWMQ-UHFFFAOYSA-N	-1	3	313.386	3.668	10	0		DHAEHM
Nc1c([N-]c2nccs2)ncnc1Nc1ccccc1Cl	ZINC000040780783	183133287	/nfs/dbraw/zinc/13/32/87/183133287.db2.gz	LLGUINMPHVAPPG-UHFFFAOYSA-N	-1	3	318.793	3.656	10	0		DHAEHM
Cc1ccc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)cc1	ZINC000041055959	183160379	/nfs/dbraw/zinc/16/03/79/183160379.db2.gz	YJJNTPYIXXUGSF-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
Cc1ccc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])cc1	ZINC000041055959	183160382	/nfs/dbraw/zinc/16/03/82/183160382.db2.gz	YJJNTPYIXXUGSF-UHFFFAOYSA-N	-1	3	312.756	3.742	10	0		DHAEHM
COc1ccccc1NCc1ccc([O-])c(Br)c1	ZINC000057997919	184066250	/nfs/dbraw/zinc/06/62/50/184066250.db2.gz	ZBEGKUZFAVXVTH-UHFFFAOYSA-N	-1	3	308.175	3.775	10	0		DHAEHM
Cn1cc(-c2ccc(-c3cncc4ccc(=S)[n-]c43)cc2)cn1	ZINC000584615969	337372883	/nfs/dbraw/zinc/37/28/83/337372883.db2.gz	IIOCFQNOMYFFIL-UHFFFAOYSA-N	-1	3	318.405	3.986	10	0		DHAEHM
Cc1ccc([C@@H](C)NCc2cccc([O-])c2Br)o1	ZINC000315343073	337985186	/nfs/dbraw/zinc/98/51/86/337985186.db2.gz	KNOXNRCBPBXJHP-SNVBAGLBSA-N	-1	3	310.191	3.907	10	0		DHAEHM
CCCCCO[N-]C(=O)Nc1ccc(Br)cc1	ZINC000005951337	181299888	/nfs/dbraw/zinc/29/98/88/181299888.db2.gz	ZLZVVEMROPEIJO-UHFFFAOYSA-N	-1	3	301.184	3.692	10	0		DHAEHM
Cc1cc([N-]c2ncnc(Oc3cc(C)cc(C)c3)c2N)no1	ZINC000040680776	183117373	/nfs/dbraw/zinc/11/73/73/183117373.db2.gz	MEIGDSCYNJSFNZ-UHFFFAOYSA-N	-1	3	311.345	3.508	10	0		DHAEHM
Nc1c([N-]c2nccs2)ncnc1Nc1cccc(Cl)c1	ZINC000040780791	183133065	/nfs/dbraw/zinc/13/30/65/183133065.db2.gz	NBSZCPJZSZAXLB-UHFFFAOYSA-N	-1	3	318.793	3.656	10	0		DHAEHM
COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1[O-]	ZINC000042373331	336239837	/nfs/dbraw/zinc/23/98/37/336239837.db2.gz	OLDLATBFTDYXFW-MRVPVSSYSA-N	-1	3	311.790	3.607	10	0		DHAEHM
Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1[O-]	ZINC000078744745	341247280	/nfs/dbraw/zinc/24/72/80/341247280.db2.gz	MCCSSLIBYWQKQR-GHMZBOCLSA-N	-1	3	301.308	3.552	10	0		DHAEHM
C[C@H]1C[C@H](C(=O)[O-])CN(CCc2cc(Cl)cc(Cl)c2)C1	ZINC000722135615	955194275	/nfs/dbraw/zinc/19/42/75/955194275.db2.gz	MVDJOFDGZGXYBT-JQWIXIFHSA-N	-1	3	316.228	3.579	10	0		DHAEHM
COc1ccc(-c2cc(=O)[n-]c(-c3ccc(Cl)cc3)n2)cc1	ZINC000073696400	191342599	/nfs/dbraw/zinc/34/25/99/191342599.db2.gz	XTGJNMNIIVORDV-UHFFFAOYSA-N	-1	3	312.756	3.766	10	0		DHAEHM
COc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c([O-])c1	ZINC000023482610	182362532	/nfs/dbraw/zinc/36/25/32/182362532.db2.gz	XXBQTARKTFXRNK-SNVBAGLBSA-N	-1	3	305.761	3.545	10	0		DHAEHM
CC[C@H](C)c1cc(C(=O)N2Cc3ccccc3C2)c([O-])cc1O	ZINC000064361675	184295507	/nfs/dbraw/zinc/29/55/07/184295507.db2.gz	JUVRJNYFHAUUEF-LBPRGKRZSA-N	-1	3	311.381	3.767	10	0		DHAEHM
COc1ccc(-c2cc([O-])cc(Br)c2)cc1OC	ZINC000065343887	184325321	/nfs/dbraw/zinc/32/53/21/184325321.db2.gz	QJSAKTYTAIFLRN-UHFFFAOYSA-N	-1	3	309.159	3.839	10	0		DHAEHM
COc1cccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c1[O-]	ZINC000127535209	525797453	/nfs/dbraw/zinc/79/74/53/525797453.db2.gz	YFWPLTRPYORBEB-AWEZNQCLSA-N	-1	3	315.369	3.670	10	0		DHAEHM
C[C@@H](c1ccc(Cl)cc1Cl)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000227816092	526046192	/nfs/dbraw/zinc/04/61/92/526046192.db2.gz	PHWPXPKXLCSUKF-VDDIYKPWSA-N	-1	3	302.201	3.707	10	0		DHAEHM
C[C@@H]1CCN(CCc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000722138058	955193124	/nfs/dbraw/zinc/19/31/24/955193124.db2.gz	FRZFPGPZCPAMMC-QMTHXVAHSA-N	-1	3	316.228	3.579	10	0		DHAEHM
COc1ccc2ncc(C(=O)[O-])c(NCc3ccccc3)c2c1	ZINC000004226224	181086029	/nfs/dbraw/zinc/08/60/29/181086029.db2.gz	NQCPHNYBYVYJBS-UHFFFAOYSA-N	-1	3	308.337	3.554	10	0		DHAEHM
O=C([O-])c1ccc2nc3c(c(Nc4ccccc4O)c2c1)CCC3	ZINC000019794271	182150079	/nfs/dbraw/zinc/15/00/79/182150079.db2.gz	DXIDQLJIFZTJCA-UHFFFAOYSA-N	-1	3	320.348	3.871	10	0		DHAEHM
C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1Br	ZINC000023526003	182363257	/nfs/dbraw/zinc/36/32/57/182363257.db2.gz	LAKKXQZTWISIHY-SNVBAGLBSA-N	-1	3	320.186	3.646	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3cccc(F)c3C)n2)cc1	ZINC000057342154	184034153	/nfs/dbraw/zinc/03/41/53/184034153.db2.gz	XPBOVJMUZCEMFA-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2ccc(F)cc2Cl)[n-]1	ZINC000057342178	184034184	/nfs/dbraw/zinc/03/41/84/184034184.db2.gz	RWDDRIREHFGKDZ-UHFFFAOYSA-N	-1	3	315.735	3.973	10	0		DHAEHM
COC(=O)c1ccc(-c2cc([O-])cc(Br)c2)cc1	ZINC000065343874	184325747	/nfs/dbraw/zinc/32/57/47/184325747.db2.gz	HHQJXFNISASTQC-UHFFFAOYSA-N	-1	3	307.143	3.608	10	0		DHAEHM
COc1ccc(C(F)(F)C(=O)[N-][C@H](C)c2ccc(C)o2)cc1	ZINC000119505864	523794499	/nfs/dbraw/zinc/79/44/99/523794499.db2.gz	OTHAWAWSFHNLIG-LLVKDONJSA-N	-1	3	309.312	3.566	10	0		DHAEHM
C[C@@H]1C[C@@H](C(=O)[O-])CN(CCc2cc(Cl)cc(Cl)c2)C1	ZINC000722135617	955193739	/nfs/dbraw/zinc/19/37/39/955193739.db2.gz	MVDJOFDGZGXYBT-ZYHUDNBSSA-N	-1	3	316.228	3.579	10	0		DHAEHM
C[C@H]1CCN(CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-]	ZINC000722138055	955193805	/nfs/dbraw/zinc/19/38/05/955193805.db2.gz	FRZFPGPZCPAMMC-HZMBPMFUSA-N	-1	3	316.228	3.579	10	0		DHAEHM
O=C([O-])c1ccc(CN[C@@]23C[C@@H]2CCCC3)c(Br)c1	ZINC000710328470	977503763	/nfs/dbraw/zinc/50/37/63/977503763.db2.gz	CSEJOOLWXBMGIQ-WFASDCNBSA-N	-1	3	324.218	3.570	10	0		DHAEHM
[O-]c1cc(Cl)cc(Oc2cncc(Br)c2)c1	ZINC000090550635	185302347	/nfs/dbraw/zinc/30/23/47/185302347.db2.gz	ITZFNUCAFNMWFF-UHFFFAOYSA-N	-1	3	300.539	3.995	10	0		DHAEHM
O=C(Nc1ccccc1[O-])c1cccc2c1C(=O)c1ccccc1-2	ZINC000040834807	183140132	/nfs/dbraw/zinc/14/01/32/183140132.db2.gz	FJIRXABIHQZMIS-UHFFFAOYSA-N	-1	3	315.328	3.856	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(F)c(F)c3)n2)cc1	ZINC000057342091	184034539	/nfs/dbraw/zinc/03/45/39/184034539.db2.gz	XGGALPJGYCBZIU-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
[O-]c1ccc(CNc2ccc3c(c2)CCO3)cc1Br	ZINC000062702618	184248334	/nfs/dbraw/zinc/24/83/34/184248334.db2.gz	TUXVPLVCKLGUFF-UHFFFAOYSA-N	-1	3	320.186	3.702	10	0		DHAEHM
O=c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)[n-]1	ZINC000145070810	337108153	/nfs/dbraw/zinc/10/81/53/337108153.db2.gz	HVGPEIPVWZJDQW-UHFFFAOYSA-N	-1	3	309.074	3.763	10	0		DHAEHM
CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])o1	ZINC000128530859	340893915	/nfs/dbraw/zinc/89/39/15/340893915.db2.gz	QBNCMWDBKONDCA-OAHLLOKOSA-N	-1	3	315.369	3.621	10	0		DHAEHM
CCc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)c([O-])c1	ZINC000191053604	523883553	/nfs/dbraw/zinc/88/35/53/523883553.db2.gz	NAYKRJOCUBZXLG-CQSZACIVSA-N	-1	3	316.426	3.779	10	0		DHAEHM
CN(Cc1ccc2ccccc2n1)Cc1ccccc1C(=O)[O-]	ZINC000067886534	563492968	/nfs/dbraw/zinc/49/29/68/563492968.db2.gz	DSZPBGWJJMZHKB-UHFFFAOYSA-N	-1	3	306.365	3.565	10	0		DHAEHM
Cc1nn(C(C)C)cc1NCc1cc([O-])ccc1Br	ZINC000725242623	563525414	/nfs/dbraw/zinc/52/54/14/563525414.db2.gz	NHXXXUUMRFOVLU-UHFFFAOYSA-N	-1	3	324.222	3.853	10	0		DHAEHM
C[C@@H]1CC[C@H](C(=O)[O-])CN1CCc1cc(Cl)cc(Cl)c1	ZINC000722136144	955193553	/nfs/dbraw/zinc/19/35/53/955193553.db2.gz	QYBXKCXRROHRPV-PWSUYJOCSA-N	-1	3	316.228	3.721	10	0		DHAEHM
C[C@H]1CCN(CCc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000722138057	955194311	/nfs/dbraw/zinc/19/43/11/955194311.db2.gz	FRZFPGPZCPAMMC-IINYFYTJSA-N	-1	3	316.228	3.579	10	0		DHAEHM
CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccsc2Cl)C1	ZINC000308351382	963267990	/nfs/dbraw/zinc/26/79/90/963267990.db2.gz	QUBMUSUPPRQGNY-NSHDSACASA-N	-1	3	301.839	3.724	10	0		DHAEHM
Cc1cccc2sc([N-]c3ncnc(OC(C)C)c3N)nc21	ZINC000040783492	183134014	/nfs/dbraw/zinc/13/40/14/183134014.db2.gz	JLLQZJXOSKUJDG-UHFFFAOYSA-N	-1	3	315.402	3.508	10	0		DHAEHM
O=C(Nc1ccccc1Cl)c1c[n-]c2c(F)cccc2c1=O	ZINC000041055652	183160357	/nfs/dbraw/zinc/16/03/57/183160357.db2.gz	UJELIZNRTXFUGK-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
O=C(Nc1ccccc1Cl)c1cnc2c(F)cccc2c1[O-]	ZINC000041055652	183160359	/nfs/dbraw/zinc/16/03/59/183160359.db2.gz	UJELIZNRTXFUGK-UHFFFAOYSA-N	-1	3	316.719	3.573	10	0		DHAEHM
CC(C)(C)c1ccc(OCCN2CCCC2)c(/C=C/C(=O)[O-])c1	ZINC000053993942	183919176	/nfs/dbraw/zinc/91/91/76/183919176.db2.gz	HBXMBCGZZVXHQD-RMKNXTFCSA-N	-1	3	317.429	3.557	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(C)cc3F)n2)cc1	ZINC000057342147	184034224	/nfs/dbraw/zinc/03/42/24/184034224.db2.gz	CCGBQUZJPIOMFO-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
COC(=O)c1cccc(-c2cc([O-])cc(Br)c2)c1	ZINC000065343873	184325255	/nfs/dbraw/zinc/32/52/55/184325255.db2.gz	PDEOQPJTHBKMNX-UHFFFAOYSA-N	-1	3	307.143	3.608	10	0		DHAEHM
CN(C)C(=O)c1ccc(-c2cc([O-])cc(Br)c2)cc1	ZINC000065343917	184325970	/nfs/dbraw/zinc/32/59/70/184325970.db2.gz	LKYWHYRAGDCCKQ-UHFFFAOYSA-N	-1	3	320.186	3.524	10	0		DHAEHM
CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H]4CCCC[C@H]43)nc2)n1	ZINC000301563028	336315151	/nfs/dbraw/zinc/31/51/51/336315151.db2.gz	JOLYNMSQWGSNHS-XJKSGUPXSA-N	-1	3	324.428	3.576	10	0		DHAEHM
COc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)c1[O-]	ZINC000127535465	525796708	/nfs/dbraw/zinc/79/67/08/525796708.db2.gz	YFWPLTRPYORBEB-CQSZACIVSA-N	-1	3	315.369	3.670	10	0		DHAEHM
C[C@H](c1cc(Cl)ccc1Cl)N1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC000227817090	526035804	/nfs/dbraw/zinc/03/58/04/526035804.db2.gz	YXQZZTNDBVYIMT-KBVBSXBZSA-N	-1	3	302.201	3.707	10	0		DHAEHM
CSC[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2Cl)C1	ZINC000381586475	971765627	/nfs/dbraw/zinc/76/56/27/971765627.db2.gz	CRXKQYFIWPXKCF-LLVKDONJSA-N	-1	3	313.850	3.613	10	0		DHAEHM
CC[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1Br	ZINC000226720605	959897306	/nfs/dbraw/zinc/89/73/06/959897306.db2.gz	ZGHUQWITJFTHRK-GFCCVEGCSA-N	-1	3	312.207	3.522	10	0		DHAEHM
C[C@H](c1ccccc1Br)N(C)CCCCC(=O)[O-]	ZINC000719356495	977999524	/nfs/dbraw/zinc/99/95/24/977999524.db2.gz	RUWRERFDZPCVRP-LLVKDONJSA-N	-1	3	314.223	3.697	10	0		DHAEHM
Cc1ccc([O-])c(C(=O)Nc2ccccc2Br)c1	ZINC000019509391	182126529	/nfs/dbraw/zinc/12/65/29/182126529.db2.gz	QIEXLWIOBXTQHM-UHFFFAOYSA-N	-1	3	306.159	3.715	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3cc(F)ccc3F)n2)c1	ZINC000057341959	184034089	/nfs/dbraw/zinc/03/40/89/184034089.db2.gz	UKAUOSSASATBDO-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(F)cc3F)n2)cc1	ZINC000057342078	184034350	/nfs/dbraw/zinc/03/43/50/184034350.db2.gz	QZYFWTKUNUVTMO-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
Cc1cccc(-c2cc(=O)[n-]c(Nc3ccc(F)c(F)c3)n2)c1	ZINC000057341961	184034404	/nfs/dbraw/zinc/03/44/04/184034404.db2.gz	BOFOZEDGYSVLBU-UHFFFAOYSA-N	-1	3	313.307	3.767	10	0		DHAEHM
O=c1cc(-c2ccccc2)nc(Nc2cc(F)c(F)c(F)c2)[n-]1	ZINC000057341559	184034478	/nfs/dbraw/zinc/03/44/78/184034478.db2.gz	RRLBLXDJZFRXMA-UHFFFAOYSA-N	-1	3	317.270	3.598	10	0		DHAEHM
Cc1ccc([C@H](C)NCc2ccc([O-])c(Br)c2)o1	ZINC000057988525	184064983	/nfs/dbraw/zinc/06/49/83/184064983.db2.gz	VBYBQQPMFGSMTO-JTQLQIEISA-N	-1	3	310.191	3.907	10	0		DHAEHM
CC[C@@H](C)c1cc(C(=O)N2Cc3ccccc3C2)c([O-])cc1O	ZINC000058592387	184124030	/nfs/dbraw/zinc/12/40/30/184124030.db2.gz	JUVRJNYFHAUUEF-GFCCVEGCSA-N	-1	3	311.381	3.767	10	0		DHAEHM
Cc1nc2sc(C34CC5CC(CC(C5)C3)C4)nc2c(=O)[n-]1	ZINC000584648226	337380432	/nfs/dbraw/zinc/38/04/32/337380432.db2.gz	XIRWLXOYLARXKZ-UHFFFAOYSA-N	-1	3	301.415	3.568	10	0		DHAEHM
C[C@@H](c1ccccc1Br)N(C)CCCCC(=O)[O-]	ZINC000719356499	978000007	/nfs/dbraw/zinc/00/00/07/978000007.db2.gz	RUWRERFDZPCVRP-NSHDSACASA-N	-1	3	314.223	3.697	10	0		DHAEHM
C[C@@H](c1ccccc1C(F)(F)F)N1CCCC[C@@H]1C(=O)[O-]	ZINC000006409287	181339420	/nfs/dbraw/zinc/33/94/20/181339420.db2.gz	BWDRPOSNGDUAMA-GXFFZTMASA-N	-1	3	301.308	3.706	10	0		DHAEHM
Cc1ccc(-c2cc(=O)[n-]c(Nc3ccc(C)c(F)c3)n2)cc1	ZINC000057342071	184034431	/nfs/dbraw/zinc/03/44/31/184034431.db2.gz	SYFITWYVYDVUCB-UHFFFAOYSA-N	-1	3	309.344	3.936	10	0		DHAEHM
C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1	ZINC000185400443	340500718	/nfs/dbraw/zinc/50/07/18/340500718.db2.gz	BRNCAOGOCAAJRA-MRVPVSSYSA-N	-1	3	319.810	3.580	10	0		DHAEHM