smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OCCOC)ccn2)cc1	ZINC000049933042	541107745	/nfs/dbraw/zinc/10/77/45/541107745.db2.gz	CSFMYMIHKKPMPF-NFYUYZAESA-N	-1	2	676.832	7.860	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OCCOC)ccn2)cc1	ZINC000049933042	541107746	/nfs/dbraw/zinc/10/77/46/541107746.db2.gz	CSFMYMIHKKPMPF-NFYUYZAESA-N	-1	2	676.832	7.860	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1	ZINC000049933052	541107769	/nfs/dbraw/zinc/10/77/69/541107769.db2.gz	SPTAXSFFLMLIAF-HWNQJZBBSA-N	-1	2	700.776	8.776	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1	ZINC000049933052	541107775	/nfs/dbraw/zinc/10/77/75/541107775.db2.gz	SPTAXSFFLMLIAF-HWNQJZBBSA-N	-1	2	700.776	8.776	1	30		KKEFLM
CCCCc1nc(SC)c(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026404482	561789461	/nfs/dbraw/zinc/78/94/61/561789461.db2.gz	HHYNSLYWCJJEHR-KDYSTLNUSA-N	-1	2	657.859	5.494	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](O)C(F)(F)[P@@](=O)([O-])O)[C@@H](O)c1ccccc1	ZINC000043664057	562650709	/nfs/dbraw/zinc/65/07/09/562650709.db2.gz	NNYZCEWUWOMKDC-KWXIBIRDSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@@H]([C@@H](O)C(F)(F)[P@](=O)([O-])O)[C@@H](O)c1ccccc1	ZINC000043664057	562650710	/nfs/dbraw/zinc/65/07/10/562650710.db2.gz	NNYZCEWUWOMKDC-KWXIBIRDSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCC(=O)Oc1ccc(C(=O)c2ccc(O[P@@](=O)([O-])O)cc2)cc1	ZINC000044005249	562651438	/nfs/dbraw/zinc/65/14/38/562651438.db2.gz	HYGKLTJXAYIJTK-UHFFFAOYSA-N	-1	2	504.560	6.996	1	30		KKEFLM
CCCCCCCCCCCCCC(=O)Oc1ccc(C(=O)c2ccc(O[P@](=O)([O-])O)cc2)cc1	ZINC000044005249	562651439	/nfs/dbraw/zinc/65/14/39/562651439.db2.gz	HYGKLTJXAYIJTK-UHFFFAOYSA-N	-1	2	504.560	6.996	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@H]2CC[C@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000073242662	562736954	/nfs/dbraw/zinc/73/69/54/562736954.db2.gz	XQIUJOJBSOQWLD-ZEQKJWHPSA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@H]2CC[C@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000073242662	562736955	/nfs/dbraw/zinc/73/69/55/562736955.db2.gz	XQIUJOJBSOQWLD-ZEQKJWHPSA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=C(CCC)S(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000095544666	562757771	/nfs/dbraw/zinc/75/77/71/562757771.db2.gz	YTFOXGDRBMEHLX-DHUJRADRSA-N	-1	2	773.015	7.881	1	30		KKEFLM
C=CC(C)(C)c1[nH]c2ccccc2c1C1C(=O)C(=O)C(c2c[nH]c3c2cccc3C[C@@H](O)C(C)(C)O)=C([O-])C1=O	ZINC000101178528	562809668	/nfs/dbraw/zinc/80/96/68/562809668.db2.gz	ATRARSGSZADRIX-OAQYLSRUSA-N	-1	2	540.616	5.177	1	30		KKEFLM
CCCC(=O)c1c(OC)cc(O)c(O)c1CC1C(=O)C(C(=O)CCC)=C([O-])[C@](C)(CC=C(C)C)C1=O	ZINC000102061213	562812618	/nfs/dbraw/zinc/81/26/18/562812618.db2.gz	WPEHSVWTCWSBPR-MUUNZHRXSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCC(=O)c1c(OC)cc(O)c(O)c1CC1C(=O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)CCC)=C1[O-]	ZINC000102061213	562812619	/nfs/dbraw/zinc/81/26/19/562812619.db2.gz	WPEHSVWTCWSBPR-MUUNZHRXSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCC(=O)c1c(OC)cc(O)c(O)c1CC1C(=O)C(=C([O-])CCC)C(=O)[C@](C)(CC=C(C)C)C1=O	ZINC000102061213	562812620	/nfs/dbraw/zinc/81/26/20/562812620.db2.gz	WPEHSVWTCWSBPR-MUUNZHRXSA-N	-1	2	500.588	5.570	1	30		KKEFLM
N#Cc1c(=O)nc(SCc2ccc(CSc3nc(-c4ccc(-c5ccccc5)cc4)c(C#N)c(=O)[nH]3)cc2)[n-]c1-c1ccc(-c2ccccc2)cc1	ZINC000150562245	562844923	/nfs/dbraw/zinc/84/49/23/562844923.db2.gz	OGGYWAJIECROFJ-DHUJRADRSA-N	-1	2	712.860	8.693	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000195517637	562872146	/nfs/dbraw/zinc/87/21/46/562872146.db2.gz	JKJDDEJFWSHVID-GVAUOCQISA-N	-1	2	577.675	5.814	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000195517637	562872147	/nfs/dbraw/zinc/87/21/47/562872147.db2.gz	JKJDDEJFWSHVID-GVAUOCQISA-N	-1	2	577.675	5.814	1	30		KKEFLM
O=S(=O)(c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)N3CCCCCCCCCCC3)ccc1C2=NO)N1CCCCCCCCCCC1	ZINC000474609061	562905546	/nfs/dbraw/zinc/90/55/46/562905546.db2.gz	OAFUXHONVHRIFC-UHFFFAOYSA-N	-1	2	700.968	7.484	1	30		KKEFLM
CCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)Nc2ccccc2)cc1	ZINC000026577449	561801613	/nfs/dbraw/zinc/80/16/13/561801613.db2.gz	RTKBEGDYYWUTIQ-UHFFFAOYSA-N	-1	2	564.689	5.686	1	30		KKEFLM
CCCCc1nn(-c2cc(NC(C)=O)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)[N-]C(=O)OC(C)(C)C)cc1F	ZINC000026668373	561811806	/nfs/dbraw/zinc/81/18/06/561811806.db2.gz	OVGREWSEMONLCV-UHFFFAOYSA-N	-1	2	714.260	7.213	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@H]3C(=O)C=C([O-])C(c4cc(-c5cc(O)c6c(=O)cc(O)cc-6o5)ccc4OC)[C@H]3O2)cc1	ZINC000028462553	561925527	/nfs/dbraw/zinc/92/55/27/561925527.db2.gz	FRHGBLVZVQKHOI-ROJLCIKYSA-N	-1	2	568.534	5.238	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@H]3C(=O)C=C([O-])C(c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)[C@H]3O2)cc1	ZINC000028462553	561925528	/nfs/dbraw/zinc/92/55/28/561925528.db2.gz	FRHGBLVZVQKHOI-ROJLCIKYSA-N	-1	2	568.534	5.238	1	30		KKEFLM
O=C(/C=C/c1cc(Br)c([O-])c(Br)c1)c1ccc(C(=O)/C=C/c2cc(Br)c(O)c(Br)c2)cc1	ZINC000029051316	561994416	/nfs/dbraw/zinc/99/44/16/561994416.db2.gz	GLNXXYQVVWAIIR-FACPPWRESA-N	-1	2	685.988	7.940	1	30		KKEFLM
O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)CSC/C1=C\c1cc(Br)c(O)c(Br)c1	ZINC000029051538	561994478	/nfs/dbraw/zinc/99/44/78/561994478.db2.gz	UFMWXPXIXXWVLB-NJDSBKIZSA-N	-1	2	639.985	6.931	1	30		KKEFLM
O=C(/C=C/c1cc(Br)c([O-])c(Br)c1)/C=C/c1cc(Br)c(O)c(Br)c1	ZINC000029052499	561994621	/nfs/dbraw/zinc/99/46/21/561994621.db2.gz	FOMMGMRGDYCYCW-ZPUQHVIOSA-N	-1	2	581.880	6.444	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178907	562049883	/nfs/dbraw/zinc/04/98/83/562049883.db2.gz	PEFIOAADNRWHCX-PMERELPUSA-N	-1	2	605.753	7.892	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178907	562049885	/nfs/dbraw/zinc/04/98/85/562049885.db2.gz	PEFIOAADNRWHCX-PMERELPUSA-N	-1	2	605.753	7.892	1	30		KKEFLM
CC(=O)c1c(O)c(C)c(O)c(Cc2c([O-])c(C(=O)C=Cc3ccc(O)cc3)c3c(c2O)C=CC(C)(C)O3)c1O	ZINC000059773470	560082215	/nfs/dbraw/zinc/08/22/15/560082215.db2.gz	VBFAFCWNQAXIRN-JXMROGBWSA-N	-1	2	532.545	5.102	1	30	biogenic,in-vitro	KKEFLM
C=CCOc1ccc(C[C@@H](CO[P@@](=O)([O-])O)NC(=O)CCCCCCC/C=C\CCCCCCCC)cc1	ZINC000044182535	562652520	/nfs/dbraw/zinc/65/25/20/562652520.db2.gz	YUYGOZWQWWCECB-BMMGBYBSSA-N	-1	2	551.705	7.426	1	30		KKEFLM
C=CCOc1ccc(C[C@@H](CO[P@](=O)([O-])O)NC(=O)CCCCCCC/C=C\CCCCCCCC)cc1	ZINC000044182535	562652521	/nfs/dbraw/zinc/65/25/21/562652521.db2.gz	YUYGOZWQWWCECB-BMMGBYBSSA-N	-1	2	551.705	7.426	1	30		KKEFLM
O=C(COc1cccc2[nH]cc(C(=O)c3ccc4ccccc4c3)c21)[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1	ZINC000044388128	562656279	/nfs/dbraw/zinc/65/62/79/562656279.db2.gz	FSGVVXJNOFOGRX-UHFFFAOYSA-N	-1	2	559.452	6.645	1	30		KKEFLM
COc1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(OC)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049745685	562674013	/nfs/dbraw/zinc/67/40/13/562674013.db2.gz	ZCHXHGQANIYAID-RUZDIDTESA-N	-1	2	620.716	5.377	1	30		KKEFLM
C#C[C@H](O)/C=C/CCCCCCCCCCC/C=C/[C@@H](O)CCCCCCCCC/C=C\C#CC(=O)[O-]	ZINC000095586720	562774080	/nfs/dbraw/zinc/77/40/80/562774080.db2.gz	WMKMNGSQNVMJIZ-SYBLAHBKSA-N	-1	2	512.775	7.900	1	30		KKEFLM
N#Cc1c(=O)nc(SCc2ccc(CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cc2)[n-]c1-c1ccccc1	ZINC000101954123	562812370	/nfs/dbraw/zinc/81/23/70/562812370.db2.gz	CERMDIGUTISQAO-HSZRJFAPSA-N	-1	2	560.664	5.359	1	30		KKEFLM
N#Cc1c(=O)nc(SCc2ccc(CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cc2)[n-]c1-c1ccccc1	ZINC000101954128	562812389	/nfs/dbraw/zinc/81/23/89/562812389.db2.gz	CERMDIGUTISQAO-QHCPKHFHSA-N	-1	2	560.664	5.359	1	30		KKEFLM
CCCCCCCCCCCCOC(=O)CCCC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1	ZINC000299863860	562893962	/nfs/dbraw/zinc/89/39/62/562893962.db2.gz	LSGZPGIITGBWCI-UHFFFAOYSA-N	-1	2	770.441	8.499	1	30		KKEFLM
O=C(C1=C(c2cc(Br)c([O-])c(Br)c2)/C(=C/c2cc(Br)c(O)c(Br)c2)OC1=O)c1ccc(O)cc1	ZINC000473130352	562900079	/nfs/dbraw/zinc/90/00/79/562900079.db2.gz	KNJYFPSRENYWAD-WSVATBPTSA-N	-1	2	715.970	7.088	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1	ZINC000169329161	541108252	/nfs/dbraw/zinc/10/82/52/541108252.db2.gz	FFMZNYWFUDQTJJ-WJOKGBTCSA-N	-1	2	702.792	9.000	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1	ZINC000169329161	541108254	/nfs/dbraw/zinc/10/82/54/541108254.db2.gz	FFMZNYWFUDQTJJ-WJOKGBTCSA-N	-1	2	702.792	9.000	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)n2)cc1	ZINC000036178956	541109202	/nfs/dbraw/zinc/10/92/02/541109202.db2.gz	ZXQMFOGQYCOXHJ-SCKSCLOGSA-N	-1	2	632.779	7.843	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)n2)cc1	ZINC000036178956	541109208	/nfs/dbraw/zinc/10/92/08/541109208.db2.gz	ZXQMFOGQYCOXHJ-SCKSCLOGSA-N	-1	2	632.779	7.843	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)C(=O)c1ccc(OCc2ccccc2)cc1	ZINC000014166987	561737304	/nfs/dbraw/zinc/73/73/04/561737304.db2.gz	MYYBZNDFMXEHCA-MJPIYRIWSA-N	-1	2	615.748	8.080	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)C(=O)c1ccc(OCc2ccccc2)cc1	ZINC000014166987	561737305	/nfs/dbraw/zinc/73/73/05/561737305.db2.gz	MYYBZNDFMXEHCA-MJPIYRIWSA-N	-1	2	615.748	8.080	1	30		KKEFLM
CCCCCC(=O)[N-]S(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)[nH+]c(CN3CCN(c4ccccn4)CC3)c2C(=O)[O-])cc1	ZINC000026291090	561780565	/nfs/dbraw/zinc/78/05/65/561780565.db2.gz	FCVUJKNOEFEUJD-UHFFFAOYSA-N	-1	2	672.852	6.192	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCC)cc1	ZINC000036178886	562049934	/nfs/dbraw/zinc/04/99/34/562049934.db2.gz	YJUAHFAPMCNGAE-FRSJXWKWSA-N	-1	2	539.694	7.259	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCC)cc1	ZINC000036178886	562049936	/nfs/dbraw/zinc/04/99/36/562049936.db2.gz	YJUAHFAPMCNGAE-FRSJXWKWSA-N	-1	2	539.694	7.259	1	30		KKEFLM
Cc1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(C)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049746974	562674680	/nfs/dbraw/zinc/67/46/80/562674680.db2.gz	YJZMVOMLUFBCLI-RUZDIDTESA-N	-1	2	588.718	5.976	1	30		KKEFLM
O=C(Nc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1)c1ccc(C(F)(F)[P@](=O)([O-])O)cc1	ZINC000049774994	562678837	/nfs/dbraw/zinc/67/88/37/562678837.db2.gz	OMTCUGCCALSKMD-UHFFFAOYSA-N	-1	2	542.113	5.966	1	30		KKEFLM
O=C(Nc1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1)c1ccc(C(F)(F)[P@@](=O)([O-])O)cc1	ZINC000049774994	562678838	/nfs/dbraw/zinc/67/88/38/562678838.db2.gz	OMTCUGCCALSKMD-UHFFFAOYSA-N	-1	2	542.113	5.966	1	30		KKEFLM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c1C(=O)/C=C/c1ccc(OCc2ccccc2)cc1	ZINC000058548403	562699111	/nfs/dbraw/zinc/69/91/11/562699111.db2.gz	HUESUKLCJGPGPK-GPAWKIAZSA-N	-1	2	656.778	10.318	1	30		KKEFLM
O=C([O-])c1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])c(O)c2)SCc2ccc(Br)cc2)cc1	ZINC000064516761	562706554	/nfs/dbraw/zinc/70/65/54/562706554.db2.gz	AYOCVPHMUMFUFF-CIAFOILYSA-N	-1	2	514.353	5.918	1	30		KKEFLM
CCCCNC(=O)c1ccc(Br)c(-n2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)[N-]C(=O)c4cc(Cl)ccc4Cl)cc3F)c2=O)c1	ZINC000095547559	562758785	/nfs/dbraw/zinc/75/87/85/562758785.db2.gz	JKXFAOAAQSTEDR-UHFFFAOYSA-N	-1	2	817.565	8.134	1	30		KKEFLM
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@@H](O)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C	ZINC000095550376	562760169	/nfs/dbraw/zinc/76/01/69/562760169.db2.gz	WSUJZNVAZWINQF-VFNNZFOBSA-N	-1	2	765.955	5.352	1	30		KKEFLM
C#C[C@H](O)/C=C/CCCCCCCCCCC/C=C/[C@H](O)CCCCCCCCC/C=C\C#CC(=O)[O-]	ZINC000095586719	562774082	/nfs/dbraw/zinc/77/40/82/562774082.db2.gz	WMKMNGSQNVMJIZ-ZGCJFYJVSA-N	-1	2	512.775	7.900	1	30		KKEFLM
CCCC(=O)c1c(OC)cc(O)c(O)c1CC1C(=O)C(C(=O)CCC)=C([O-])[C@@](C)(CC=C(C)C)C1=O	ZINC000102061215	562812633	/nfs/dbraw/zinc/81/26/33/562812633.db2.gz	WPEHSVWTCWSBPR-NDEPHWFRSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCC(=O)c1c(OC)cc(O)c(O)c1CC1C(=O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)CCC)=C1[O-]	ZINC000102061215	562812634	/nfs/dbraw/zinc/81/26/34/562812634.db2.gz	WPEHSVWTCWSBPR-NDEPHWFRSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCC(=O)c1c(OC)cc(O)c(O)c1CC1C(=O)C(=C([O-])CCC)C(=O)[C@@](C)(CC=C(C)C)C1=O	ZINC000102061215	562812635	/nfs/dbraw/zinc/81/26/35/562812635.db2.gz	WPEHSVWTCWSBPR-NDEPHWFRSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCCCCCCCCOc1cc(-c2cc(F)cc(F)c2)c[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000016052648	561754027	/nfs/dbraw/zinc/75/40/27/561754027.db2.gz	JONDYIHZOFRLBH-UHFFFAOYSA-O	-1	2	536.469	5.120	1	30	in-vitro	KKEFLM
CCCCCCCCCCOc1cc(-c2cc(F)cc(F)c2)c[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000016052648	561754029	/nfs/dbraw/zinc/75/40/29/561754029.db2.gz	JONDYIHZOFRLBH-UHFFFAOYSA-O	-1	2	536.469	5.120	1	30	in-vitro	KKEFLM
CCCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2cccnc2)cc1	ZINC000026404369	561789512	/nfs/dbraw/zinc/78/95/12/561789512.db2.gz	XWIOKNKXFLGGIQ-UHFFFAOYSA-N	-1	2	593.731	5.149	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@H](O)C(F)(F)[P@@](=O)([O-])O	ZINC000043664048	562650716	/nfs/dbraw/zinc/65/07/16/562650716.db2.gz	NNYZCEWUWOMKDC-PFBJBMPXSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@H](O)C(F)(F)[P@](=O)([O-])O	ZINC000043664048	562650717	/nfs/dbraw/zinc/65/07/17/562650717.db2.gz	NNYZCEWUWOMKDC-PFBJBMPXSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000049682749	562669165	/nfs/dbraw/zinc/66/91/65/562669165.db2.gz	MQBQSPXHYIAXMH-RPUPUBLZSA-N	-1	2	705.826	8.106	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000049682749	562669166	/nfs/dbraw/zinc/66/91/66/562669166.db2.gz	MQBQSPXHYIAXMH-RPUPUBLZSA-N	-1	2	705.826	8.106	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1	ZINC000049683073	562669241	/nfs/dbraw/zinc/66/92/41/562669241.db2.gz	FWOUHSOVALWFJO-QPZFHVBGSA-N	-1	2	685.883	9.813	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1	ZINC000049683073	562669242	/nfs/dbraw/zinc/66/92/42/562669242.db2.gz	FWOUHSOVALWFJO-QPZFHVBGSA-N	-1	2	685.883	9.813	1	30		KKEFLM
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)[O-]	ZINC000095586657	562774049	/nfs/dbraw/zinc/77/40/49/562774049.db2.gz	YHGADYKRSKHKNN-AUQGYOQJSA-N	-1	2	528.730	5.810	1	30		KKEFLM
O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\[O-]	ZINC000150607038	562848029	/nfs/dbraw/zinc/84/80/29/562848029.db2.gz	RBCRIVNEAVWDIU-HIHPLZGUSA-N	-1	2	938.218	7.937	1	30		KKEFLM
Nc1cc2cc(c1O)Oc1c(Br)cc(cc1Br)CCNC(=O)/C(=N/[O-])Cc1cc(N)c(O)c(c1)Oc1c(Br)cc(cc1Br)C/C(=N/O)C(=O)NCC2	ZINC000169325365	562857576	/nfs/dbraw/zinc/85/75/76/562857576.db2.gz	IRCPPALTVAEWTK-OBWYSMLFSA-N	-1	2	970.264	6.673	1	30		KKEFLM
COc1ccc(C2=C(C(=O)c3cc(Br)c([O-])c(Br)c3)C(=O)O/C2=C\c2cc(Br)c(O)c(Br)c2)cc1	ZINC000473130109	562900093	/nfs/dbraw/zinc/90/00/93/562900093.db2.gz	JUQYDXJFMNNCGR-UWVJOHFNSA-N	-1	2	729.997	7.391	1	30		KKEFLM
COc1c(Br)cc(C2=C(C(=O)c3cc(Br)c([O-])c(Br)c3)C(=O)O/C2=C\c2cc(Br)c(O)c(Br)c2)cc1Br	ZINC000473132020	562900221	/nfs/dbraw/zinc/90/02/21/562900221.db2.gz	QMIALMAKPZMOCX-LMXLVEHLSA-N	-1	2	887.789	8.916	1	30		KKEFLM
CCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)Nc2ccc(C)cc2)cc1	ZINC000026577448	561801591	/nfs/dbraw/zinc/80/15/91/561801591.db2.gz	XHGGAKIZYGKILG-UHFFFAOYSA-N	-1	2	578.716	5.994	1	30		KKEFLM
CCCCc1nc(SC)c([C@](O)(C(=O)[O-])C(F)(F)F)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026579128	561804201	/nfs/dbraw/zinc/80/42/01/561804201.db2.gz	UJRMSYVTUQGXJW-HKBQPEDESA-N	-1	2	690.766	5.890	1	30		KKEFLM
O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)CCC/C1=C\c1cc(Br)c(O)c(Br)c1	ZINC000029051902	561994447	/nfs/dbraw/zinc/99/44/47/561994447.db2.gz	AZHCKYKRNASTSP-QGVJZHQLSA-N	-1	2	621.945	7.368	1	30		KKEFLM
CN1C/C(=C\c2cc(Br)c([O-])c(Br)c2)C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)C1	ZINC000029051797	561994481	/nfs/dbraw/zinc/99/44/81/561994481.db2.gz	SBZKOOAOHRJMSI-TUOIWHRTSA-N	-1	2	636.960	6.129	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccncc2)cc1	ZINC000036179017	562049874	/nfs/dbraw/zinc/04/98/74/562049874.db2.gz	JKKRVAXVBXZCTF-KKUMVYOXSA-N	-1	2	602.753	7.835	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccncc2)cc1	ZINC000036179017	562049876	/nfs/dbraw/zinc/04/98/76/562049876.db2.gz	JKKRVAXVBXZCTF-KKUMVYOXSA-N	-1	2	602.753	7.835	1	30		KKEFLM
CCCCCCCCCCCCCCOC[C@@H](COc1ccc(-c2nc(=O)o[nH]2)cc1)Oc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000044018585	562651522	/nfs/dbraw/zinc/65/15/22/562651522.db2.gz	XARZVJQNXSCCCD-LJAQVGFWSA-N	-1	2	608.736	7.330	1	30		KKEFLM
CCCCCCCCCCCCCCOC[C@@H](COc1ccc(-c2nc(=O)o[n-]2)cc1)Oc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000044018585	562651523	/nfs/dbraw/zinc/65/15/23/562651523.db2.gz	XARZVJQNXSCCCD-LJAQVGFWSA-N	-1	2	608.736	7.330	1	30		KKEFLM
O=C([O-])c1ccc(C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1	ZINC000064503526	562706054	/nfs/dbraw/zinc/70/60/54/562706054.db2.gz	CQSSGWDNTZEMEA-CIAFOILYSA-N	-1	2	514.353	5.918	1	30		KKEFLM
CC1(C)[C@H](NS(=O)(=O)C(F)(F)F)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C	ZINC000064526849	562706701	/nfs/dbraw/zinc/70/67/01/562706701.db2.gz	VAEQEXNHNGYODF-GBWCSKBLSA-N	-1	2	601.772	6.860	1	30		KKEFLM
CCCCNC(=O)c1ccc(Br)c(-n2nc(CCC)n(Cc3ccc(-c4ccccc4S(=O)(=O)[N-]C(=O)OC(C)(C)C)cc3F)c2=O)c1	ZINC000095547549	562758787	/nfs/dbraw/zinc/75/87/87/562758787.db2.gz	CWWVFQMJNYJQKE-UHFFFAOYSA-N	-1	2	744.684	6.551	1	30		KKEFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(-c2ccc(C#N)cc2)c1	ZINC000095548118	562759123	/nfs/dbraw/zinc/75/91/23/562759123.db2.gz	QKZUZKFRGGGEJU-ZAQUEYBZSA-N	-1	2	812.820	6.009	1	30		KKEFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(-c2ccc(C#N)cc2)c1	ZINC000095548118	562759124	/nfs/dbraw/zinc/75/91/24/562759124.db2.gz	QKZUZKFRGGGEJU-ZAQUEYBZSA-N	-1	2	812.820	6.009	1	30		KKEFLM
Cc1cc(SC2=C([O-])O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053589	562806417	/nfs/dbraw/zinc/80/64/17/562806417.db2.gz	BELREXFXQRQIOE-YTTGMZPUSA-N	-1	2	610.798	7.030	1	30		KKEFLM
Cc1cc(SC2=C([O-])C[C@@](CCc3ccc(O)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053589	562806418	/nfs/dbraw/zinc/80/64/18/562806418.db2.gz	BELREXFXQRQIOE-YTTGMZPUSA-N	-1	2	610.798	7.030	1	30		KKEFLM
N#Cc1c(=O)nc(SCc2ccc(CSc3nc(-c4ccc(-c5ccccc5)cc4)c(C#N)c(=O)[nH]3)cc2)[n-]c1-c1ccc(-c2ccccc2)cc1	ZINC000150562242	562844926	/nfs/dbraw/zinc/84/49/26/562844926.db2.gz	OGGYWAJIECROFJ-PGUFJCEWSA-N	-1	2	712.860	8.693	1	30		KKEFLM
O=C(/C=C/c1ccc(O)cc1)c1c2oc(-c3ccc(O)cc3)c(C(=O)c3ccc(O)cc3O)c2c(O)cc1O	ZINC000095909990	565176314	/nfs/dbraw/zinc/17/63/14/565176314.db2.gz	OYSSHUWICGHBOU-KGVSQERTSA-N	-1	2	524.481	5.461	1	30	biogenic,in-vitro	KKEFLM
O=C(/C=C/c1ccc(O)cc1)c1c2oc(-c3ccc(O)cc3)c(C(=O)c3ccc(O)cc3O)c2c(O)cc1[O-]	ZINC000095909990	565176323	/nfs/dbraw/zinc/17/63/23/565176323.db2.gz	OYSSHUWICGHBOU-KGVSQERTSA-N	-1	2	524.481	5.461	1	30	biogenic,in-vitro	KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OC)ccn2)cc1	ZINC000036178940	541109556	/nfs/dbraw/zinc/10/95/56/541109556.db2.gz	CSOSUEZLFQTTOC-SCKSCLOGSA-N	-1	2	632.779	7.843	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OC)ccn2)cc1	ZINC000036178940	541109558	/nfs/dbraw/zinc/10/95/58/541109558.db2.gz	CSOSUEZLFQTTOC-SCKSCLOGSA-N	-1	2	632.779	7.843	1	30		KKEFLM
CCCCc1nc(SC)c(C(=O)[N-]S(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026401374	561788480	/nfs/dbraw/zinc/78/84/80/561788480.db2.gz	JTZUFUMDNDMARB-UHFFFAOYSA-N	-1	2	683.878	5.959	1	30		KKEFLM
CCCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)N(c2ccccc2)c2ccccc2)cc1	ZINC000026577291	561801221	/nfs/dbraw/zinc/80/12/21/561801221.db2.gz	ZEXCOLSYRUODFL-UHFFFAOYSA-N	-1	2	654.814	7.802	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=C[S@@](C)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026642619	561807011	/nfs/dbraw/zinc/80/70/11/561807011.db2.gz	FDMCYZXZPHMANK-QLKFWGTOSA-N	-1	2	652.864	5.617	1	30		KKEFLM
Cc1cccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5cccc(C)c5)[n-]4)cc3)[nH]c(=O)c2C#N)c1	ZINC000049745610	562673944	/nfs/dbraw/zinc/67/39/44/562673944.db2.gz	AGCNCYMMSDRCPW-VWLOTQADSA-N	-1	2	588.718	5.976	1	30		KKEFLM
CC(C)c1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(C(C)C)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049745691	562674003	/nfs/dbraw/zinc/67/40/03/562674003.db2.gz	VKAOMICPAPXQFD-GDLZYMKVSA-N	-1	2	644.826	8.018	1	30		KKEFLM
CCCCC(=O)Nc1ccc(Br)c(-n2nc(CC)n(Cc3ccc(-c4ccccc4S(=O)(=O)[N-]C(=O)c4ccccc4F)cc3F)c2=O)c1	ZINC000095547567	562758791	/nfs/dbraw/zinc/75/87/91/562758791.db2.gz	RGSWLSVTRUVUDY-UHFFFAOYSA-N	-1	2	752.638	7.175	1	30		KKEFLM
CC(C)(C)C1CCN(S(=O)(=O)c2ccc3c(c2)C(=N[O-])c2cc(S(=O)(=O)N4CCC(C(C)(C)C)CC4)ccc2C3=NO)CC1	ZINC000474607713	562905387	/nfs/dbraw/zinc/90/53/87/562905387.db2.gz	JWDSEXPHELYXJT-UHFFFAOYSA-N	-1	2	644.860	5.347	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccnc2)cc1	ZINC000014166996	541109541	/nfs/dbraw/zinc/10/95/41/541109541.db2.gz	KMTDWYLEJRZIJN-KKUMVYOXSA-N	-1	2	602.753	7.835	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccnc2)cc1	ZINC000014166996	541109544	/nfs/dbraw/zinc/10/95/44/541109544.db2.gz	KMTDWYLEJRZIJN-KKUMVYOXSA-N	-1	2	602.753	7.835	1	30		KKEFLM
CCCCc1nc(SC)c(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026404479	561789554	/nfs/dbraw/zinc/78/95/54/561789554.db2.gz	HHYNSLYWCJJEHR-IDISGSTGSA-N	-1	2	657.859	5.494	1	30		KKEFLM
CCCc1nc(SC)c(C([O-])=CS(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026578434	561803285	/nfs/dbraw/zinc/80/32/85/561803285.db2.gz	WXEOHRSCAYTLIJ-UHFFFAOYSA-N	-1	2	716.907	6.322	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=C[S@](C)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026642625	561806987	/nfs/dbraw/zinc/80/69/87/561806987.db2.gz	FDMCYZXZPHMANK-VZUYHUTRSA-N	-1	2	652.864	5.617	1	30		KKEFLM
O=C(/C=C/c1cc(Br)c(O)c(Br)c1)c1cc(Br)c([O-])c(Br)c1	ZINC000029051910	561994450	/nfs/dbraw/zinc/99/44/50/561994450.db2.gz	YHVGKXHAMXUCEU-OWOJBTEDSA-N	-1	2	555.842	6.044	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178904	562049915	/nfs/dbraw/zinc/04/99/15/562049915.db2.gz	ITPYKLVUHMGBBT-SSEXGKCCSA-N	-1	2	575.727	7.884	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178904	562049917	/nfs/dbraw/zinc/04/99/17/562049917.db2.gz	ITPYKLVUHMGBBT-SSEXGKCCSA-N	-1	2	575.727	7.884	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178901	562049949	/nfs/dbraw/zinc/04/99/49/562049949.db2.gz	ITPYKLVUHMGBBT-PMERELPUSA-N	-1	2	575.727	7.884	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178901	562049951	/nfs/dbraw/zinc/04/99/51/562049951.db2.gz	ITPYKLVUHMGBBT-PMERELPUSA-N	-1	2	575.727	7.884	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178911	562049968	/nfs/dbraw/zinc/04/99/68/562049968.db2.gz	PEFIOAADNRWHCX-SSEXGKCCSA-N	-1	2	605.753	7.892	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178911	562049969	/nfs/dbraw/zinc/04/99/69/562049969.db2.gz	PEFIOAADNRWHCX-SSEXGKCCSA-N	-1	2	605.753	7.892	1	30		KKEFLM
CCCCCCCCN(CCCCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(C)=O)C(C)C	ZINC000037858184	562061803	/nfs/dbraw/zinc/06/18/03/562061803.db2.gz	NUFOBLSTYVVCSD-GFLPGQDNSA-N	-1	2	696.867	5.400	1	30		KKEFLM
CCCCCCCCN(CCCCCCCC)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(C)=O)C(C)C	ZINC000037858184	562061805	/nfs/dbraw/zinc/06/18/05/562061805.db2.gz	NUFOBLSTYVVCSD-GFLPGQDNSA-N	-1	2	696.867	5.400	1	30		KKEFLM
Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CC1(c2cc[nH+]c(N)c2)CCCC1	ZINC000085594048	560064820	/nfs/dbraw/zinc/06/48/20/560064820.db2.gz	HUYGDQFSCQWBDU-LCVIWTTQSA-N	-1	2	574.674	5.564	1	30	biogenic,in-vitro	KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OC)cc1	ZINC000043300374	562647397	/nfs/dbraw/zinc/64/73/97/562647397.db2.gz	HZKLUBCHTUBBKC-ZXAYODBVSA-N	-1	2	525.667	6.869	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OC)cc1	ZINC000043300374	562647398	/nfs/dbraw/zinc/64/73/98/562647398.db2.gz	HZKLUBCHTUBBKC-ZXAYODBVSA-N	-1	2	525.667	6.869	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000043587127	562649976	/nfs/dbraw/zinc/64/99/76/562649976.db2.gz	GQOHXUYLYPUZRH-YTTGMZPUSA-O	-1	2	517.670	6.958	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCCC[S@@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000043587127	562649977	/nfs/dbraw/zinc/64/99/77/562649977.db2.gz	GQOHXUYLYPUZRH-YTTGMZPUSA-O	-1	2	517.670	6.958	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)[P@@](=O)([O-])O)[C@H](O)c1ccccc1	ZINC000043815396	562650905	/nfs/dbraw/zinc/65/09/05/562650905.db2.gz	KQPGDBVGEXAZAW-UKILVPOCSA-N	-1	2	519.610	6.847	1	30	in-vitro	KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)[P@](=O)([O-])O)[C@H](O)c1ccccc1	ZINC000043815396	562650906	/nfs/dbraw/zinc/65/09/06/562650906.db2.gz	KQPGDBVGEXAZAW-UKILVPOCSA-N	-1	2	519.610	6.847	1	30	in-vitro	KKEFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(-c2cccc(C#N)c2)c1	ZINC000095547613	562758835	/nfs/dbraw/zinc/75/88/35/562758835.db2.gz	DQKIRFNTQNEIDG-ZAQUEYBZSA-N	-1	2	812.820	6.009	1	30		KKEFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(-c2cccc(C#N)c2)c1	ZINC000095547613	562758836	/nfs/dbraw/zinc/75/88/36/562758836.db2.gz	DQKIRFNTQNEIDG-ZAQUEYBZSA-N	-1	2	812.820	6.009	1	30		KKEFLM
O=C1c2ccccc2C(=Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)C=C1Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1	ZINC000095550146	562759934	/nfs/dbraw/zinc/75/99/34/562759934.db2.gz	RSSAXWHZGNDHTD-MYGQCYSGSA-N	-1	2	738.811	6.488	1	30		KKEFLM
CCC(CC)(c1ccc(C#CC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(OC[C@@H](O)CCC(=O)[O-])c(C)c1	ZINC000095595606	562776725	/nfs/dbraw/zinc/77/67/25/562776725.db2.gz	BMRRFNRRIWOMAT-QHCPKHFHSA-N	-1	2	574.558	6.221	1	30	in-vitro	KKEFLM
Cc1cc(SC2=C([O-])O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053585	562806440	/nfs/dbraw/zinc/80/64/40/562806440.db2.gz	BELREXFXQRQIOE-JGCGQSQUSA-N	-1	2	610.798	7.030	1	30		KKEFLM
Cc1cc(SC2=C([O-])C[C@](CCc3ccc(O)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053585	562806441	/nfs/dbraw/zinc/80/64/41/562806441.db2.gz	BELREXFXQRQIOE-JGCGQSQUSA-N	-1	2	610.798	7.030	1	30		KKEFLM
CCCCCC(=O)c1c(O)c(CC2C(=O)C(C(=O)CCCCC)=C([O-])[C@@](C)(CC=C(C)C)C2=O)c(O)c(CC=C(C)C)c1OC	ZINC000653738940	562910003	/nfs/dbraw/zinc/91/00/03/562910003.db2.gz	XIAXPJVLENRHKF-QNGWXLTQSA-N	-1	2	624.815	8.640	1	30		KKEFLM
CCCCCC(=O)c1c(O)c(CC2C(=O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)CCCCC)=C2[O-])c(O)c(CC=C(C)C)c1OC	ZINC000653738940	562910004	/nfs/dbraw/zinc/91/00/04/562910004.db2.gz	XIAXPJVLENRHKF-QNGWXLTQSA-N	-1	2	624.815	8.640	1	30		KKEFLM
CCCCCC(=O)c1c(O)c(CC2C(=O)C(=C([O-])CCCCC)C(=O)[C@@](C)(CC=C(C)C)C2=O)c(O)c(CC=C(C)C)c1OC	ZINC000653738940	562910005	/nfs/dbraw/zinc/91/00/05/562910005.db2.gz	XIAXPJVLENRHKF-QNGWXLTQSA-N	-1	2	624.815	8.640	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178880	541108897	/nfs/dbraw/zinc/10/88/97/541108897.db2.gz	WFNXESYFHAMZSY-ZWKXJJLDSA-N	-1	2	631.791	8.448	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178880	541108902	/nfs/dbraw/zinc/10/89/02/541108902.db2.gz	WFNXESYFHAMZSY-ZWKXJJLDSA-N	-1	2	631.791	8.448	1	30		KKEFLM
C#CCOc1nc(-c2ccnc(-c3nc(=O)o[n-]3)c2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC	ZINC000028088272	561899587	/nfs/dbraw/zinc/89/95/87/561899587.db2.gz	BYCLKBXHEZQIHD-UHFFFAOYSA-N	-1	2	628.667	5.205	1	30		KKEFLM
C#CCOc1nc(-c2ccnc(-c3nc(=S)o[nH]3)c2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC	ZINC000028088512	561899602	/nfs/dbraw/zinc/89/96/02/561899602.db2.gz	HTNBCWLAXCOARB-UHFFFAOYSA-N	-1	2	631.696	5.009	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1	ZINC000036178921	562049959	/nfs/dbraw/zinc/04/99/59/562049959.db2.gz	ZVNRWOLYWGGLNB-KKUMVYOXSA-N	-1	2	626.775	9.134	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1	ZINC000036178921	562049961	/nfs/dbraw/zinc/04/99/61/562049961.db2.gz	ZVNRWOLYWGGLNB-KKUMVYOXSA-N	-1	2	626.775	9.134	1	30		KKEFLM
CCCCCCCCCCCCCCOC[C@H](COc1ccc(-c2nc(=O)o[nH]2)cc1)Oc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000044018587	562651509	/nfs/dbraw/zinc/65/15/09/562651509.db2.gz	XARZVJQNXSCCCD-GDLZYMKVSA-N	-1	2	608.736	7.330	1	30		KKEFLM
CCCCCCCCCCCCCCOC[C@H](COc1ccc(-c2nc(=O)o[n-]2)cc1)Oc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000044018587	562651510	/nfs/dbraw/zinc/65/15/10/562651510.db2.gz	XARZVJQNXSCCCD-GDLZYMKVSA-N	-1	2	608.736	7.330	1	30		KKEFLM
CCc1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(CC)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049746408	562674443	/nfs/dbraw/zinc/67/44/43/562674443.db2.gz	BFEBDLRJQJLSTO-MHZLTWQESA-N	-1	2	616.772	6.484	1	30		KKEFLM
CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)[O-])cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1	ZINC000073280750	562737441	/nfs/dbraw/zinc/73/74/41/562737441.db2.gz	STADHDDPEVIIQA-UHFFFAOYSA-N	-1	2	576.458	5.615	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000073353299	562738344	/nfs/dbraw/zinc/73/83/44/562738344.db2.gz	JKJDDEJFWSHVID-DSITVLBTSA-N	-1	2	577.675	5.814	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000073353299	562738345	/nfs/dbraw/zinc/73/83/45/562738345.db2.gz	JKJDDEJFWSHVID-DSITVLBTSA-N	-1	2	577.675	5.814	1	30		KKEFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)NCc2ccccc2)cc(-c2ccc(C#N)cc2)c1	ZINC000095547753	562758846	/nfs/dbraw/zinc/75/88/46/562758846.db2.gz	GJFOCANYFVUXTR-ZAQUEYBZSA-N	-1	2	812.820	6.009	1	30		KKEFLM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)NCc2ccccc2)cc(-c2ccc(C#N)cc2)c1	ZINC000095547753	562758847	/nfs/dbraw/zinc/75/88/47/562758847.db2.gz	GJFOCANYFVUXTR-ZAQUEYBZSA-N	-1	2	812.820	6.009	1	30		KKEFLM
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)CCc2ccccc2NN=C2C=CC(=O)C(C(=O)[O-])=C2)O1	ZINC000095560674	562763123	/nfs/dbraw/zinc/76/31/23/562763123.db2.gz	LKIXTNNKLMHJIV-DKVSDJDISA-N	-1	2	726.823	6.720	1	30		KKEFLM
O=C(C1=C(c2cc(Br)c(O)c(Br)c2)/C(=C/c2ccc(O)c(Br)c2)OC1=O)c1cc(Br)c([O-])c(Br)c1	ZINC000095560696	562763134	/nfs/dbraw/zinc/76/31/34/562763134.db2.gz	KCCCPXKQCGHGDT-LMXLVEHLSA-N	-1	2	794.866	7.850	1	30		KKEFLM
O=C(C1=C(c2ccc(O)c(Br)c2)/C(=C/c2cc(Br)c(O)c(Br)c2)OC1=O)c1cc(Br)c([O-])c(Br)c1	ZINC000095561390	562763385	/nfs/dbraw/zinc/76/33/85/562763385.db2.gz	YKAGAUKZQSESET-DVZOWYKESA-N	-1	2	794.866	7.850	1	30		KKEFLM
CCCc1nc(SC)c(C([O-])=CS(=O)(=O)c2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000095610978	562784733	/nfs/dbraw/zinc/78/47/33/562784733.db2.gz	WLXKEGHTCVIASH-UHFFFAOYSA-N	-1	2	746.933	6.331	1	30		KKEFLM
C=CC(C)(C)c1[nH]c2ccccc2c1C1C(=O)C(=O)C(c2c[nH]c3c2cccc3CCC(C)(C)O)=C([O-])C1=O	ZINC000101487059	562810977	/nfs/dbraw/zinc/81/09/77/562810977.db2.gz	NMYOVSAUDUBKBX-UHFFFAOYSA-N	-1	2	524.617	6.207	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000049765529	541109122	/nfs/dbraw/zinc/10/91/22/541109122.db2.gz	NIZPHDRZMFQVLV-KBGVDSEZSA-N	-1	2	652.813	8.988	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccc3ccccc3n2)cc1	ZINC000049765529	541109125	/nfs/dbraw/zinc/10/91/25/541109125.db2.gz	NIZPHDRZMFQVLV-KBGVDSEZSA-N	-1	2	652.813	8.988	1	30		KKEFLM
CCCCN(Cc1[nH+]c(CCC)n(Cc2ccc(-c3ccccc3S(=O)(=O)[N-]C(=O)CCC)cc2)c1C(=O)[O-])C(=O)CCC	ZINC000026295053	561781304	/nfs/dbraw/zinc/78/13/04/561781304.db2.gz	FURKQPPGTMILKC-UHFFFAOYSA-N	-1	2	624.804	6.623	1	30		KKEFLM
CCCc1[nH+]c(CN(Cc2ccccc2)C(=O)c2ccccc2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)OCC(C)C)cc1	ZINC000026289744	561780300	/nfs/dbraw/zinc/78/03/00/561780300.db2.gz	FMZIMNSMDWESBK-UHFFFAOYSA-N	-1	2	722.864	7.367	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@@H]3C(=O)C=C([O-])C(c4cc(-c5cc(O)c6c(=O)cc(O)cc-6o5)ccc4OC)[C@H]3O2)cc1	ZINC000028462557	561925502	/nfs/dbraw/zinc/92/55/02/561925502.db2.gz	FRHGBLVZVQKHOI-AJQTZOPKSA-N	-1	2	568.534	5.238	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@@H]3C(=O)C=C([O-])C(c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)[C@H]3O2)cc1	ZINC000028462557	561925503	/nfs/dbraw/zinc/92/55/03/561925503.db2.gz	FRHGBLVZVQKHOI-AJQTZOPKSA-N	-1	2	568.534	5.238	1	30		KKEFLM
CC(C)(C(=O)/C=C/c1cc(Br)c([O-])c(Br)c1)C(=O)/C=C/c1cc(Br)c(O)c(Br)c1	ZINC000029051205	561994339	/nfs/dbraw/zinc/99/43/39/561994339.db2.gz	KTHYGXRLDNRMLZ-GGWOSOGESA-N	-1	2	651.971	7.039	1	30		KKEFLM
O=C1/C(=C/c2cc(Br)c([O-])c(Br)c2)CN(Cc2ccccc2)C/C1=C\c1cc(Br)c(O)c(Br)c1	ZINC000029051660	561994440	/nfs/dbraw/zinc/99/44/40/561994440.db2.gz	RVLRWVJJHPJQJG-JRGWAENISA-N	-1	2	713.058	7.700	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCC)cc1	ZINC000036178918	562049920	/nfs/dbraw/zinc/04/99/20/562049920.db2.gz	YJUAHFAPMCNGAE-VMAVNYORSA-N	-1	2	539.694	7.259	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCC)cc1	ZINC000036178918	562049922	/nfs/dbraw/zinc/04/99/22/562049922.db2.gz	YJUAHFAPMCNGAE-VMAVNYORSA-N	-1	2	539.694	7.259	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCCC(C)C)cc1	ZINC000036178895	562049941	/nfs/dbraw/zinc/04/99/41/562049941.db2.gz	IZCBSRVXYMBWHV-FNFBAFLYSA-N	-1	2	581.775	8.286	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCCC(C)C)cc1	ZINC000036178895	562049943	/nfs/dbraw/zinc/04/99/43/562049943.db2.gz	IZCBSRVXYMBWHV-FNFBAFLYSA-N	-1	2	581.775	8.286	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000043587128	562649950	/nfs/dbraw/zinc/64/99/50/562649950.db2.gz	GQOHXUYLYPUZRH-JGCGQSQUSA-O	-1	2	517.670	6.958	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCCC[S@+](C)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000043587128	562649951	/nfs/dbraw/zinc/64/99/51/562649951.db2.gz	GQOHXUYLYPUZRH-JGCGQSQUSA-O	-1	2	517.670	6.958	1	30		KKEFLM
CC(C)c1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(C(C)C)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049745694	562674017	/nfs/dbraw/zinc/67/40/17/562674017.db2.gz	VKAOMICPAPXQFD-LJAQVGFWSA-N	-1	2	644.826	8.018	1	30		KKEFLM
CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)[N-]S(C)(=O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1	ZINC000082164932	562741318	/nfs/dbraw/zinc/74/13/18/562741318.db2.gz	MIJOAEWQWPELLO-UHFFFAOYSA-N	-1	2	658.582	5.584	1	30		KKEFLM
C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO[P@@](=O)([O-])O	ZINC000082165137	562741434	/nfs/dbraw/zinc/74/14/34/562741434.db2.gz	RPHAOFQBHXEBJL-QDNFKKIJSA-N	-1	2	648.730	5.361	1	30		KKEFLM
C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO[P@](=O)([O-])O	ZINC000082165137	562741435	/nfs/dbraw/zinc/74/14/35/562741435.db2.gz	RPHAOFQBHXEBJL-QDNFKKIJSA-N	-1	2	648.730	5.361	1	30		KKEFLM
CCCCc1ccc2ccccc2c1CNC(=O)c1c2c(c(O)cc1OC)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000084722879	562751048	/nfs/dbraw/zinc/75/10/48/562751048.db2.gz	UUQIELYOJRQZIE-JGCGQSQUSA-N	-1	2	541.600	5.344	1	30		KKEFLM
CCCCc1ccc2ccccc2c1CNC(=O)c1c2c(c(O)cc1OC)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000084722879	562751049	/nfs/dbraw/zinc/75/10/49/562751049.db2.gz	UUQIELYOJRQZIE-JGCGQSQUSA-N	-1	2	541.600	5.344	1	30		KKEFLM
CCCCc1ccc2ccccc2c1CNC(=O)c1c2c(c(O)cc1OC)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000084722879	562751050	/nfs/dbraw/zinc/75/10/50/562751050.db2.gz	UUQIELYOJRQZIE-JGCGQSQUSA-N	-1	2	541.600	5.344	1	30		KKEFLM
C=CC1CC1(NC(=O)C1CC2CN1C(=O)C(C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3c(c1)c(cc1nccn13)O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000095561306	562763343	/nfs/dbraw/zinc/76/33/43/562763343.db2.gz	IXYYAKUGJNYTAY-HHTXIVHBSA-N	-1	2	788.968	5.383	1	30		KKEFLM
CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccn3)cc2C#N)cc1	ZINC000095583763	562773023	/nfs/dbraw/zinc/77/30/23/562773023.db2.gz	CFRSAHGWEBPTIU-UHFFFAOYSA-N	-1	2	538.511	5.320	1	30		KKEFLM
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(C(=O)[O-])c1	ZINC000095584350	562773241	/nfs/dbraw/zinc/77/32/41/562773241.db2.gz	PZPJXQOCPSYGJH-UHFFFAOYSA-N	-1	2	512.956	5.021	1	30		KKEFLM
CCCC(=O)c1c(O)cc(OC)c(CC2C(=O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)CCC)=C2[O-])c1O	ZINC000101788694	562812148	/nfs/dbraw/zinc/81/21/48/562812148.db2.gz	NUPABJIRWQUBHS-NDEPHWFRSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCC(=O)c1c(O)cc(OC)c(CC2C(=O)C(=C([O-])CCC)C(=O)[C@@](C)(CC=C(C)C)C2=O)c1O	ZINC000101788694	562812149	/nfs/dbraw/zinc/81/21/49/562812149.db2.gz	NUPABJIRWQUBHS-NDEPHWFRSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C[C@H]6SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	ZINC000103209426	562816607	/nfs/dbraw/zinc/81/66/07/562816607.db2.gz	OOLSLFDWEBYNOT-RRLTYMFXSA-N	-1	2	626.860	7.514	1	30		KKEFLM
NC(=O)[C@H](Cc1ccc(C(F)(F)[P@@](=O)([O-])O)cc1)NC(=O)[C@H](Cc1cc(Br)cc(C2(C(F)(F)F)N=N2)c1)NC(=O)c1cc(Br)cc(C2(C(F)(F)F)N=N2)c1	ZINC000150535059	562843909	/nfs/dbraw/zinc/84/39/09/562843909.db2.gz	YUNUIMOYSNLOPJ-VXKWHMMOSA-N	-1	2	919.315	6.354	1	30		KKEFLM
NC(=O)[C@H](Cc1ccc(C(F)(F)[P@](=O)([O-])O)cc1)NC(=O)[C@H](Cc1cc(Br)cc(C2(C(F)(F)F)N=N2)c1)NC(=O)c1cc(Br)cc(C2(C(F)(F)F)N=N2)c1	ZINC000150535059	562843910	/nfs/dbraw/zinc/84/39/10/562843910.db2.gz	YUNUIMOYSNLOPJ-VXKWHMMOSA-N	-1	2	919.315	6.354	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccncc2)cc1	ZINC000036178959	541108797	/nfs/dbraw/zinc/10/87/97/541108797.db2.gz	JKKRVAXVBXZCTF-HWNQJZBBSA-N	-1	2	602.753	7.835	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccncc2)cc1	ZINC000036178959	541108803	/nfs/dbraw/zinc/10/88/03/541108803.db2.gz	JKKRVAXVBXZCTF-HWNQJZBBSA-N	-1	2	602.753	7.835	1	30		KKEFLM
CCCCc1nc(SC)c([C@@](O)(C(=O)[O-])C(F)(F)F)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026579127	561804253	/nfs/dbraw/zinc/80/42/53/561804253.db2.gz	UJRMSYVTUQGXJW-WJOKGBTCSA-N	-1	2	690.766	5.890	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCC2CCCCC2)cc1	ZINC000036178874	562049788	/nfs/dbraw/zinc/04/97/88/562049788.db2.gz	VOJITUVJGDXCLU-MJPIYRIWSA-N	-1	2	607.813	8.820	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCC2CCCCC2)cc1	ZINC000036178874	562049789	/nfs/dbraw/zinc/04/97/89/562049789.db2.gz	VOJITUVJGDXCLU-MJPIYRIWSA-N	-1	2	607.813	8.820	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)n2)cc1	ZINC000036179013	562049979	/nfs/dbraw/zinc/04/99/79/562049979.db2.gz	ZXQMFOGQYCOXHJ-GGNXQEJZSA-N	-1	2	632.779	7.843	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)n2)cc1	ZINC000036179013	562049980	/nfs/dbraw/zinc/04/99/80/562049980.db2.gz	ZXQMFOGQYCOXHJ-GGNXQEJZSA-N	-1	2	632.779	7.843	1	30		KKEFLM
C#CCOc1ccc(C[C@@H](CO[P@@](=O)([O-])O)NC(=O)CCCCCCC/C=C\CCCCCCCC)cc1	ZINC000043860923	562651061	/nfs/dbraw/zinc/65/10/61/562651061.db2.gz	DYEIZFCEKFBLDA-BMMGBYBSSA-N	-1	2	549.689	6.873	1	30		KKEFLM
C#CCOc1ccc(C[C@@H](CO[P@](=O)([O-])O)NC(=O)CCCCCCC/C=C\CCCCCCCC)cc1	ZINC000043860923	562651062	/nfs/dbraw/zinc/65/10/62/562651062.db2.gz	DYEIZFCEKFBLDA-BMMGBYBSSA-N	-1	2	549.689	6.873	1	30		KKEFLM
Cc1cccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5cccc(C)c5)[n-]4)cc3)[nH]c(=O)c2C#N)c1	ZINC000049745607	562673958	/nfs/dbraw/zinc/67/39/58/562673958.db2.gz	AGCNCYMMSDRCPW-RUZDIDTESA-N	-1	2	588.718	5.976	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000049832538	562687215	/nfs/dbraw/zinc/68/72/15/562687215.db2.gz	MQBQSPXHYIAXMH-DWKCSLMOSA-N	-1	2	705.826	8.106	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000049832538	562687216	/nfs/dbraw/zinc/68/72/16/562687216.db2.gz	MQBQSPXHYIAXMH-DWKCSLMOSA-N	-1	2	705.826	8.106	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OC)c3ccccc3n2)cc1	ZINC000049933045	562694838	/nfs/dbraw/zinc/69/48/38/562694838.db2.gz	OBGQDUHQIDGZKM-ZWKXJJLDSA-N	-1	2	682.839	8.997	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OC)c3ccccc3n2)cc1	ZINC000049933045	562694839	/nfs/dbraw/zinc/69/48/39/562694839.db2.gz	OBGQDUHQIDGZKM-ZWKXJJLDSA-N	-1	2	682.839	8.997	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000073353291	562738320	/nfs/dbraw/zinc/73/83/20/562738320.db2.gz	JKJDDEJFWSHVID-SDHOMARFSA-N	-1	2	577.675	5.814	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000073353291	562738321	/nfs/dbraw/zinc/73/83/21/562738321.db2.gz	JKJDDEJFWSHVID-SDHOMARFSA-N	-1	2	577.675	5.814	1	30		KKEFLM
O=C(C1=C(c2cc(Br)c(O)c(Br)c2)/C(=C/c2ccc(O)cc2)OC1=O)c1cc(Br)c([O-])c(Br)c1	ZINC000085645791	562753342	/nfs/dbraw/zinc/75/33/42/562753342.db2.gz	GKVFSHUQIVDFCJ-DVZOWYKESA-N	-1	2	715.970	7.088	1	30		KKEFLM
N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)n(CCCF)n2)cc1F	ZINC000095583725	562773028	/nfs/dbraw/zinc/77/30/28/562773028.db2.gz	WEROWXNEDZJHNL-UHFFFAOYSA-N	-1	2	569.537	5.989	1	30		KKEFLM
O=C(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)[N-]S(=O)(=O)c1ccccc1	ZINC000095602915	562780320	/nfs/dbraw/zinc/78/03/20/562780320.db2.gz	XPUOSHHBAATYIK-UHFFFAOYSA-N	-1	2	761.113	5.886	1	30		KKEFLM
CCCC(=O)c1c(O)cc(OC)c(CC2C(=O)[C@@](C)(CC=C(C)C)C(=O)C(C(=O)CCC)=C2[O-])c1O	ZINC000101788689	562812118	/nfs/dbraw/zinc/81/21/18/562812118.db2.gz	NUPABJIRWQUBHS-MUUNZHRXSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCC(=O)c1c(O)cc(OC)c(CC2C(=O)C(=C([O-])CCC)C(=O)[C@](C)(CC=C(C)C)C2=O)c1O	ZINC000101788689	562812119	/nfs/dbraw/zinc/81/21/19/562812119.db2.gz	NUPABJIRWQUBHS-MUUNZHRXSA-N	-1	2	500.588	5.570	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1F	ZINC000195517633	562872150	/nfs/dbraw/zinc/87/21/50/562872150.db2.gz	JKJDDEJFWSHVID-SDHSZQHLSA-N	-1	2	577.675	5.814	1	30		KKEFLM
CCCCCCCCCCCCCCCCCCNc1nc(=O)n([C@@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1F	ZINC000195517633	562872151	/nfs/dbraw/zinc/87/21/51/562872151.db2.gz	JKJDDEJFWSHVID-SDHSZQHLSA-N	-1	2	577.675	5.814	1	30		KKEFLM
O=S(=O)(c1ccc2c(c1)C(=N[O-])c1cc(S(=O)(=O)N3CCCCCCCC3)ccc1C2=NO)N1CCCCCCCC1	ZINC000474606879	562905350	/nfs/dbraw/zinc/90/53/50/562905350.db2.gz	HZXDSVZCYQSULN-UHFFFAOYSA-N	-1	2	616.806	5.143	1	30		KKEFLM
COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCCCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br	ZINC000653746387	562910359	/nfs/dbraw/zinc/91/03/59/562910359.db2.gz	CIJVREWYNWTTCW-YMQWWVFYSA-N	-1	2	800.137	5.602	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OC2Cc3ccccc3C2)cc1	ZINC000036178914	541108450	/nfs/dbraw/zinc/10/84/50/541108450.db2.gz	BOXVNLGAMFTXKL-KJINXXHRSA-N	-1	2	627.803	8.407	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OC2Cc3ccccc3C2)cc1	ZINC000036178914	541108454	/nfs/dbraw/zinc/10/84/54/541108454.db2.gz	BOXVNLGAMFTXKL-KJINXXHRSA-N	-1	2	627.803	8.407	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccnc2)cc1	ZINC000036178953	541109088	/nfs/dbraw/zinc/10/90/88/541109088.db2.gz	KMTDWYLEJRZIJN-HWNQJZBBSA-N	-1	2	602.753	7.835	1	30	in-vitro	KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccnc2)cc1	ZINC000036178953	541109093	/nfs/dbraw/zinc/10/90/93/541109093.db2.gz	KMTDWYLEJRZIJN-HWNQJZBBSA-N	-1	2	602.753	7.835	1	30	in-vitro	KKEFLM
CCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2cccs2)cc1	ZINC000026577143	561801084	/nfs/dbraw/zinc/80/10/84/561801084.db2.gz	WYZDASKCZVLKHX-UHFFFAOYSA-N	-1	2	584.745	5.425	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=CS(C)(=O)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026642612	561806974	/nfs/dbraw/zinc/80/69/74/561806974.db2.gz	MOXXOIOQYFIEPP-UHFFFAOYSA-N	-1	2	668.863	5.283	1	30		KKEFLM
C#CCCCCOc1ccc(C[C@H](CO[P@@](=O)([O-])O)NC(=O)CCCCCCC/C=C\CCCCCCCC)cc1	ZINC000036178892	562049910	/nfs/dbraw/zinc/04/99/10/562049910.db2.gz	RRRHJQRLAJDIHS-LLDSFBTISA-N	-1	2	591.770	8.043	1	30		KKEFLM
C#CCCCCOc1ccc(C[C@H](CO[P@](=O)([O-])O)NC(=O)CCCCCCC/C=C\CCCCCCCC)cc1	ZINC000036178892	562049911	/nfs/dbraw/zinc/04/99/11/562049911.db2.gz	RRRHJQRLAJDIHS-LLDSFBTISA-N	-1	2	591.770	8.043	1	30		KKEFLM
Cc1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(C)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049746977	562674663	/nfs/dbraw/zinc/67/46/63/562674663.db2.gz	YJZMVOMLUFBCLI-VWLOTQADSA-N	-1	2	588.718	5.976	1	30		KKEFLM
COc1cc(=O)c2c(O)c(OC)c3c4c2c1c1c(OC)cc(=O)c2c(O)c(OC)c(c4c21)C(C(C)=NCCCCCS(=O)(=O)[O-])=C(C)C3	ZINC000084671272	562748507	/nfs/dbraw/zinc/74/85/07/562748507.db2.gz	FCHNQBFVVPNBBL-ODQASSKESA-N	-1	2	677.728	5.190	1	30		KKEFLM
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)CCc2ccccc2NN=C2C=CC(=O)C(C(=O)[O-])=C2)O1	ZINC000095560675	562763117	/nfs/dbraw/zinc/76/31/17/562763117.db2.gz	LKIXTNNKLMHJIV-ZVEWJJAFSA-N	-1	2	726.823	6.720	1	30		KKEFLM
N#Cc1cncc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)c1	ZINC000095583116	562772820	/nfs/dbraw/zinc/77/28/20/562772820.db2.gz	BIZLHSRXDPDCAL-UHFFFAOYSA-N	-1	2	555.922	5.876	1	30		KKEFLM
[NH3+]Cc1ccc(CN(CCCCN(O)C(=O)/C=C/C(=O)[O-])C(=S)Nc2ccc(-c3c4ccc(O)cc4oc4cc(=O)ccc3-4)c(C(=O)[O-])c2)cc1	ZINC000096271920	562793950	/nfs/dbraw/zinc/79/39/50/562793950.db2.gz	VVJLYOMZYOJGFM-BUHFOSPRSA-N	-1	2	710.765	5.265	1	30		KKEFLM
CCSc1nnc(-c2cc(Br)ccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[n-]1	ZINC000096901310	562797064	/nfs/dbraw/zinc/79/70/64/562797064.db2.gz	UJXFXIQIQLBQHP-WYMPLXKRSA-N	-1	2	511.405	5.069	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C(\F)[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1	ZINC000164428675	562849590	/nfs/dbraw/zinc/84/95/90/562849590.db2.gz	MQGKBMVBXRYWRN-BQUQIILOSA-N	-1	2	688.740	9.099	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@@H](/C=C(\F)[P@](=O)([O-])O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1	ZINC000164428675	562849591	/nfs/dbraw/zinc/84/95/91/562849591.db2.gz	MQGKBMVBXRYWRN-BQUQIILOSA-N	-1	2	688.740	9.099	1	30		KKEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(C(=O)CCC)=C([O-])[C@@](C)(CC=C(C)C)C2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000653738927	562909984	/nfs/dbraw/zinc/90/99/84/562909984.db2.gz	VKVMCCKWWHULTI-YTTGMZPUSA-N	-1	2	552.664	6.746	1	30		KKEFLM
CCCC(=O)c1c(O)c(CC2C(=O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)CCC)=C2[O-])c(O)c2c1OC(C)(C)C=C2	ZINC000653738927	562909985	/nfs/dbraw/zinc/90/99/85/562909985.db2.gz	VKVMCCKWWHULTI-YTTGMZPUSA-N	-1	2	552.664	6.746	1	30		KKEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(=C([O-])CCC)C(=O)[C@@](C)(CC=C(C)C)C2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000653738927	562909986	/nfs/dbraw/zinc/90/99/86/562909986.db2.gz	VKVMCCKWWHULTI-YTTGMZPUSA-N	-1	2	552.664	6.746	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OCC)ccn2)cc1	ZINC000036178945	541107634	/nfs/dbraw/zinc/10/76/34/541107634.db2.gz	HVANCKKENVXQOH-KTLPGOAZSA-N	-1	2	646.806	8.233	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OCC)ccn2)cc1	ZINC000036178945	541107640	/nfs/dbraw/zinc/10/76/40/541107640.db2.gz	HVANCKKENVXQOH-KTLPGOAZSA-N	-1	2	646.806	8.233	1	30		KKEFLM
CCCc1[nH+]c(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2ccccc2)cc1	ZINC000026377022	561782334	/nfs/dbraw/zinc/78/23/34/561782334.db2.gz	HNBIZXAJAFZXPU-UHFFFAOYSA-N	-1	2	678.815	5.660	1	30		KKEFLM
COc1c2occc2c(OC)c(C(=O)/C=C/c2cccc(/C=C/C(=O)c3c(O)c(OC)c4occc4c3OC)c2)c1[O-]	ZINC000026391949	561785912	/nfs/dbraw/zinc/78/59/12/561785912.db2.gz	VGSMKSUPDVWIAH-GFULKKFKSA-N	-1	2	570.550	6.417	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@H]3C(=O)C=C([O-])C(c4cc(-c5cc(O)c6c(=O)cc(O)cc-6o5)ccc4OC)[C@@H]3O2)cc1	ZINC000028462545	561925486	/nfs/dbraw/zinc/92/54/86/561925486.db2.gz	FRHGBLVZVQKHOI-ZWXJPIIXSA-N	-1	2	568.534	5.238	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@H]3C(=O)C=C([O-])C(c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)[C@@H]3O2)cc1	ZINC000028462545	561925488	/nfs/dbraw/zinc/92/54/88/561925488.db2.gz	FRHGBLVZVQKHOI-ZWXJPIIXSA-N	-1	2	568.534	5.238	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=CS(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026577917	561802489	/nfs/dbraw/zinc/80/24/89/561802489.db2.gz	WUIBJVOTGUUPHL-UHFFFAOYSA-N	-1	2	730.934	6.712	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)[P@@](=O)([O-])O	ZINC000043664054	562650676	/nfs/dbraw/zinc/65/06/76/562650676.db2.gz	NNYZCEWUWOMKDC-ZONZVBGPSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)[P@](=O)([O-])O	ZINC000043664054	562650677	/nfs/dbraw/zinc/65/06/77/562650677.db2.gz	NNYZCEWUWOMKDC-ZONZVBGPSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)[P@@](=O)([O-])O	ZINC000044182532	562652548	/nfs/dbraw/zinc/65/25/48/562652548.db2.gz	OAVAPJLMWSAQST-UBFVSLLYSA-N	-1	2	535.609	5.818	1	30		KKEFLM
CCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)[C@@H](O)C(F)(F)[P@](=O)([O-])O	ZINC000044182532	562652549	/nfs/dbraw/zinc/65/25/49/562652549.db2.gz	OAVAPJLMWSAQST-UBFVSLLYSA-N	-1	2	535.609	5.818	1	30		KKEFLM
COc1cc(=O)c2c(O)c(OC)c3c4c2c1c1c(OC)cc(=O)c2c(O)c(OC)c(c4c21)C(C(C)=NCCCCCCS(=O)(=O)[O-])=C(C)C3	ZINC000084668757	562747760	/nfs/dbraw/zinc/74/77/60/562747760.db2.gz	SYSMMNDSMKKBPN-YSYOEVFLSA-N	-1	2	691.755	5.580	1	30		KKEFLM
Cn1cc(C(F)(F)F)nc1-c1ccc(Oc2ccc(S(=O)(=O)[N-]c3nccs3)cc2C#N)cc1	ZINC000095583204	562772838	/nfs/dbraw/zinc/77/28/38/562772838.db2.gz	XALPLXUWRUXNHL-UHFFFAOYSA-N	-1	2	505.503	5.027	1	30		KKEFLM
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccc(C(=O)[O-])cc1	ZINC000095583973	562773132	/nfs/dbraw/zinc/77/31/32/562773132.db2.gz	IBZLGTBZZKBRPO-UHFFFAOYSA-N	-1	2	512.956	5.021	1	30		KKEFLM
O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO	ZINC000169291905	562851973	/nfs/dbraw/zinc/85/19/73/562851973.db2.gz	JPFZLPCINWHUKQ-MSEJLTFDSA-N	-1	2	646.836	7.219	1	30		KKEFLM
CCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178932	541109928	/nfs/dbraw/zinc/10/99/28/541109928.db2.gz	ITYKKJICDXIRIS-MUUNZHRXSA-N	-1	2	547.673	7.103	1	30		KKEFLM
CCCCCCCCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178932	541109931	/nfs/dbraw/zinc/10/99/31/541109931.db2.gz	ITYKKJICDXIRIS-MUUNZHRXSA-N	-1	2	547.673	7.103	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=CC(=O)OCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026577345	561801366	/nfs/dbraw/zinc/80/13/66/561801366.db2.gz	YDUDUNZINOBJNN-UHFFFAOYSA-N	-1	2	662.834	6.191	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](O)c1ccccc1)[C@H](O)C(F)(F)[P@@](=O)([O-])O	ZINC000043664051	562650690	/nfs/dbraw/zinc/65/06/90/562650690.db2.gz	NNYZCEWUWOMKDC-PVHODMMVSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](O)c1ccccc1)[C@H](O)C(F)(F)[P@](=O)([O-])O	ZINC000043664051	562650691	/nfs/dbraw/zinc/65/06/91/562650691.db2.gz	NNYZCEWUWOMKDC-PVHODMMVSA-N	-1	2	563.663	6.598	1	30		KKEFLM
CCCCCCCCCCCCCCO[C@@H](COc1ccc(-c2nc(=O)o[n-]2)cc1)COc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000044018411	562651526	/nfs/dbraw/zinc/65/15/26/562651526.db2.gz	FMCIEJJXWBVMBO-UHFFFAOYSA-N	-1	2	608.736	7.330	1	30		KKEFLM
CCCCCCCCCCCCCCO[C@H](COc1ccc(-c2nc(=O)o[n-]2)cc1)COc1ccc(-c2nc(=O)o[nH]2)cc1	ZINC000044018411	562651527	/nfs/dbraw/zinc/65/15/27/562651527.db2.gz	FMCIEJJXWBVMBO-UHFFFAOYSA-N	-1	2	608.736	7.330	1	30		KKEFLM
Cc1cc([O-])c(C(=O)/C=C/c2ccc(Br)cc2)c(-c2ccc(OCc3ccccc3)cc2)c1C(=O)/C=C/c1ccc(Br)cc1	ZINC000058548602	562699101	/nfs/dbraw/zinc/69/91/01/562699101.db2.gz	KPRYRNAXKDCLBC-XHQRYOPUSA-N	-1	2	708.446	10.264	1	30		KKEFLM
C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)[NH2+]CCCC(C)(C)C/C=C\c1cc3c(cc1OC)nc(-c1ccccc1)cc3O2)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000096901507	562797133	/nfs/dbraw/zinc/79/71/33/562797133.db2.gz	GWIXFQKHJAXMMY-DVWHMTKOSA-N	-1	2	810.074	7.961	1	30		KKEFLM
Cc1cc(SC2=C([O-])O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053737	562806444	/nfs/dbraw/zinc/80/64/44/562806444.db2.gz	LMEVSFRGFZMJDZ-JGCGQSQUSA-N	-1	2	594.799	7.325	1	30		KKEFLM
Cc1cc(SC2=C([O-])C[C@](CCc3ccccc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053737	562806445	/nfs/dbraw/zinc/80/64/45/562806445.db2.gz	LMEVSFRGFZMJDZ-JGCGQSQUSA-N	-1	2	594.799	7.325	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178889	541108550	/nfs/dbraw/zinc/10/85/50/541108550.db2.gz	NJLPYJKKKSBCSK-MJPIYRIWSA-N	-1	2	601.765	8.440	1	30	in-vitro	KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178889	541108555	/nfs/dbraw/zinc/10/85/55/541108555.db2.gz	NJLPYJKKKSBCSK-MJPIYRIWSA-N	-1	2	601.765	8.440	1	30	in-vitro	KKEFLM
CCCc1[nH+]c(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)C2CC2)cc1	ZINC000026377194	561782375	/nfs/dbraw/zinc/78/23/75/561782375.db2.gz	PVJDSGQIYOBYJP-UHFFFAOYSA-N	-1	2	642.782	5.022	1	30		KKEFLM
CCCCc1nc(SC)c(C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026404486	561789528	/nfs/dbraw/zinc/78/95/28/561789528.db2.gz	HHYNSLYWCJJEHR-JIPXPUAJSA-N	-1	2	657.859	5.494	1	30		KKEFLM
C[C@@H](O[C@@H]1OCCN(Cc2n[nH]nc2C[NH+](C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000027440852	561860722	/nfs/dbraw/zinc/86/07/22/561860722.db2.gz	USRYEHHMJIRICK-BDJFWFNGSA-N	-1	2	575.529	5.720	1	30		KKEFLM
O=C(C=Cc1cc(Br)c([O-])c(Br)c1)CC(=O)C=Cc1cc(Br)c(O)c(Br)c1	ZINC000029051210	561994367	/nfs/dbraw/zinc/99/43/67/561994367.db2.gz	GJFRCMCREDDROK-ZPUQHVIOSA-N	-1	2	623.917	6.403	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCCC(C)C)cc1	ZINC000036178898	562049964	/nfs/dbraw/zinc/04/99/64/562049964.db2.gz	IZCBSRVXYMBWHV-NRESKRBGSA-N	-1	2	581.775	8.286	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCCC(C)C)cc1	ZINC000036178898	562049966	/nfs/dbraw/zinc/04/99/66/562049966.db2.gz	IZCBSRVXYMBWHV-NRESKRBGSA-N	-1	2	581.775	8.286	1	30		KKEFLM
COc1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(OC)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049745688	562674010	/nfs/dbraw/zinc/67/40/10/562674010.db2.gz	ZCHXHGQANIYAID-VWLOTQADSA-N	-1	2	620.716	5.377	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2CC[C@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000073242659	562736966	/nfs/dbraw/zinc/73/69/66/562736966.db2.gz	XQIUJOJBSOQWLD-BVAGGSTKSA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2CC[C@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000073242659	562736967	/nfs/dbraw/zinc/73/69/67/562736967.db2.gz	XQIUJOJBSOQWLD-BVAGGSTKSA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2CC[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000073242664	562736972	/nfs/dbraw/zinc/73/69/72/562736972.db2.gz	XQIUJOJBSOQWLD-OZXSUGGESA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2CC[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000073242664	562736973	/nfs/dbraw/zinc/73/69/73/562736973.db2.gz	XQIUJOJBSOQWLD-OZXSUGGESA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@H]2CC[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000073242667	562736982	/nfs/dbraw/zinc/73/69/82/562736982.db2.gz	XQIUJOJBSOQWLD-JYFHCDHNSA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@H]2CC[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000073242667	562736983	/nfs/dbraw/zinc/73/69/83/562736983.db2.gz	XQIUJOJBSOQWLD-JYFHCDHNSA-N	-1	2	557.669	6.230	1	30		KKEFLM
CCCCc1nc(SC)c(C([O-])=C(CCC)S(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000095544665	562757761	/nfs/dbraw/zinc/75/77/61/562757761.db2.gz	YTFOXGDRBMEHLX-PGUFJCEWSA-N	-1	2	773.015	7.881	1	30		KKEFLM
O=C(C1=C(c2ccc(O)c(Br)c2)/C(=C/c2ccc(O)c(Br)c2)OC1=O)c1cc(Br)c([O-])c(Br)c1	ZINC000095561507	562763444	/nfs/dbraw/zinc/76/34/44/562763444.db2.gz	KKSJLDNZJFUGNY-SWNXQHNESA-N	-1	2	715.970	7.088	1	30		KKEFLM
C=CC(C)(C)c1[nH]c2ccccc2c1C1C(=O)C(=O)C(c2c[nH]c3c2cccc3C[C@H](O)C(C)(C)O)=C([O-])C1=O	ZINC000101178527	562809654	/nfs/dbraw/zinc/80/96/54/562809654.db2.gz	ATRARSGSZADRIX-NRFANRHFSA-N	-1	2	540.616	5.177	1	30		KKEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(C(=O)CCC)=C([O-])[C@](C)(C/C=C(\C)CCC=C(C)C)C2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000103003000	562813986	/nfs/dbraw/zinc/81/39/86/562813986.db2.gz	CJQMRIZSWBGMKJ-ZPPLYPLCSA-N	-1	2	620.783	8.473	1	30		KKEFLM
CCCC(=O)c1c(O)c(CC2C(=O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(=O)C(C(=O)CCC)=C2[O-])c(O)c2c1OC(C)(C)C=C2	ZINC000103003000	562813987	/nfs/dbraw/zinc/81/39/87/562813987.db2.gz	CJQMRIZSWBGMKJ-ZPPLYPLCSA-N	-1	2	620.783	8.473	1	30		KKEFLM
CCCC(=O)c1c(O)c(CC2C(=O)C(=C([O-])CCC)C(=O)[C@](C)(C/C=C(\C)CCC=C(C)C)C2=O)c(O)c2c1OC(C)(C)C=C2	ZINC000103003000	562813988	/nfs/dbraw/zinc/81/39/88/562813988.db2.gz	CJQMRIZSWBGMKJ-ZPPLYPLCSA-N	-1	2	620.783	8.473	1	30		KKEFLM
COc1cc(CC(=O)[O-])ccc1Oc1ccc2[nH]c(C#N)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000117741861	562829870	/nfs/dbraw/zinc/82/98/70/562829870.db2.gz	VTHNJTYEXNUZAR-UHFFFAOYSA-N	-1	2	546.388	5.575	1	30		KKEFLM
O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO	ZINC000169291906	562851969	/nfs/dbraw/zinc/85/19/69/562851969.db2.gz	JPFZLPCINWHUKQ-JUKUECOXSA-N	-1	2	646.836	7.219	1	30		KKEFLM
C=CC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cn(CCCCCCNC(=S)Nc2ccc(-c3c4ccc(O)cc4oc4cc(=O)ccc3-4)c(C(=O)[O-])c2)nn1	ZINC000169325686	562857645	/nfs/dbraw/zinc/85/76/45/562857645.db2.gz	AWNVKNUHUYCYOM-DHUJRADRSA-N	-1	2	788.883	6.700	1	30		KKEFLM
CCCCCC(=O)C1=C([O-])[C@@](C)(CC=C(C)C)C(=O)C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O	ZINC000653738902	562909920	/nfs/dbraw/zinc/90/99/20/562909920.db2.gz	NJOMHRGRXMLHDX-UMSFTDKQSA-N	-1	2	580.718	7.526	1	30		KKEFLM
CCCCCC(=O)C1=C([O-])C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C(=O)[C@](C)(CC=C(C)C)C1=O	ZINC000653738902	562909921	/nfs/dbraw/zinc/90/99/21/562909921.db2.gz	NJOMHRGRXMLHDX-UMSFTDKQSA-N	-1	2	580.718	7.526	1	30		KKEFLM
CCCCCC([O-])=C1C(=O)C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C(=O)[C@](C)(CC=C(C)C)C1=O	ZINC000653738902	562909922	/nfs/dbraw/zinc/90/99/22/562909922.db2.gz	NJOMHRGRXMLHDX-UMSFTDKQSA-N	-1	2	580.718	7.526	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178883	541107660	/nfs/dbraw/zinc/10/76/60/541107660.db2.gz	WFNXESYFHAMZSY-VBIORDRPSA-N	-1	2	631.791	8.448	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cccc(OC)c2)cc1	ZINC000036178883	541107665	/nfs/dbraw/zinc/10/76/65/541107665.db2.gz	WFNXESYFHAMZSY-VBIORDRPSA-N	-1	2	631.791	8.448	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1	ZINC000036178924	541108217	/nfs/dbraw/zinc/10/82/17/541108217.db2.gz	ZVNRWOLYWGGLNB-HWNQJZBBSA-N	-1	2	626.775	9.134	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(Oc2cc3ccccc3[nH]2)cc1	ZINC000036178924	541108221	/nfs/dbraw/zinc/10/82/21/541108221.db2.gz	ZVNRWOLYWGGLNB-HWNQJZBBSA-N	-1	2	626.775	9.134	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OCCC)ccn2)cc1	ZINC000049637545	541108327	/nfs/dbraw/zinc/10/83/27/541108327.db2.gz	ZLSDCXIMTHAOPK-DAQIJLTHSA-N	-1	2	660.833	8.624	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OCCC)ccn2)cc1	ZINC000049637545	541108331	/nfs/dbraw/zinc/10/83/31/541108331.db2.gz	ZLSDCXIMTHAOPK-DAQIJLTHSA-N	-1	2	660.833	8.624	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2cc(OC)c3ccccc3n2)cc1	ZINC000049765498	541109048	/nfs/dbraw/zinc/10/90/48/541109048.db2.gz	OBGQDUHQIDGZKM-VBIORDRPSA-N	-1	2	682.839	8.997	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2cc(OC)c3ccccc3n2)cc1	ZINC000049765498	541109054	/nfs/dbraw/zinc/10/90/54/541109054.db2.gz	OBGQDUHQIDGZKM-VBIORDRPSA-N	-1	2	682.839	8.997	1	30		KKEFLM
CCCCCCCCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178929	541109617	/nfs/dbraw/zinc/10/96/17/541109617.db2.gz	ITYKKJICDXIRIS-NDEPHWFRSA-N	-1	2	547.673	7.103	1	30		KKEFLM
CCCCCCCCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036178929	541109623	/nfs/dbraw/zinc/10/96/23/541109623.db2.gz	ITYKKJICDXIRIS-NDEPHWFRSA-N	-1	2	547.673	7.103	1	30		KKEFLM
CCCCc1nc(SC)c(C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026404485	561789616	/nfs/dbraw/zinc/78/96/16/561789616.db2.gz	HHYNSLYWCJJEHR-ZBLYBZFDSA-N	-1	2	657.859	5.494	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@@H]3C(=O)C=C([O-])C(c4cc(-c5cc(O)c6c(=O)cc(O)cc-6o5)ccc4OC)[C@@H]3O2)cc1	ZINC000028462549	561925492	/nfs/dbraw/zinc/92/54/92/561925492.db2.gz	FRHGBLVZVQKHOI-ACHIHNKUSA-N	-1	2	568.534	5.238	1	30		KKEFLM
COc1ccc(C2=CC(=O)[C@@H]3C(=O)C=C([O-])C(c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)[C@@H]3O2)cc1	ZINC000028462549	561925493	/nfs/dbraw/zinc/92/54/93/561925493.db2.gz	FRHGBLVZVQKHOI-ACHIHNKUSA-N	-1	2	568.534	5.238	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036179029	562049971	/nfs/dbraw/zinc/04/99/71/562049971.db2.gz	HCYMVUMFVDONQB-YTTGMZPUSA-N	-1	2	603.781	8.664	1	30		KKEFLM
CCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OCc2ccccc2)cc1	ZINC000036179029	562049972	/nfs/dbraw/zinc/04/99/72/562049972.db2.gz	HCYMVUMFVDONQB-YTTGMZPUSA-N	-1	2	603.781	8.664	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@@](=O)([O-])O)Cc1ccc(OC(=O)c2ccc(N)cc2)cc1	ZINC000043300456	562647455	/nfs/dbraw/zinc/64/74/55/562647455.db2.gz	GQBOJFXZYOHVSW-KKUMVYOXSA-N	-1	2	630.763	7.662	1	30		KKEFLM
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO[P@](=O)([O-])O)Cc1ccc(OC(=O)c2ccc(N)cc2)cc1	ZINC000043300456	562647456	/nfs/dbraw/zinc/64/74/56/562647456.db2.gz	GQBOJFXZYOHVSW-KKUMVYOXSA-N	-1	2	630.763	7.662	1	30		KKEFLM
CCc1ccc(-c2nc(SCc3ccc(CSc4nc(=O)c(C#N)c(-c5ccc(CC)cc5)[n-]4)cc3)[nH]c(=O)c2C#N)cc1	ZINC000049746405	562674410	/nfs/dbraw/zinc/67/44/10/562674410.db2.gz	BFEBDLRJQJLSTO-HHHXNRCGSA-N	-1	2	616.772	6.484	1	30		KKEFLM
CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1NS(=O)(=O)C(F)(F)F	ZINC000064513501	562706440	/nfs/dbraw/zinc/70/64/40/562706440.db2.gz	VAEQEXNHNGYODF-YKLVYJNSSA-N	-1	2	601.772	6.860	1	30		KKEFLM
O=C(/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(O)cc1O	ZINC000064531861	562707412	/nfs/dbraw/zinc/70/74/12/562707412.db2.gz	QZPRIWDQIPREDH-UFFVCSGVSA-N	-1	2	502.342	5.631	1	30		KKEFLM
CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(N=NC(C(=O)c3ccccc3)=C([O-])c3ccccc3)c2)c1-c1ccccc1	ZINC000095543641	562757406	/nfs/dbraw/zinc/75/74/06/562757406.db2.gz	BHZPYWAXMFSBDY-UHFFFAOYSA-N	-1	2	748.803	5.001	1	30		KKEFLM
Cc1cc(SC2=C([O-])O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053741	562806431	/nfs/dbraw/zinc/80/64/31/562806431.db2.gz	LMEVSFRGFZMJDZ-YTTGMZPUSA-N	-1	2	594.799	7.325	1	30		KKEFLM
Cc1cc(SC2=C([O-])C[C@@](CCc3ccccc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1	ZINC000100053741	562806432	/nfs/dbraw/zinc/80/64/32/562806432.db2.gz	LMEVSFRGFZMJDZ-YTTGMZPUSA-N	-1	2	594.799	7.325	1	30		KKEFLM
O=C(C1=C(c2cc(Br)c([O-])c(Br)c2)/C(=C/c2ccc(O)c(Br)c2)OC1=O)c1ccc(O)c(Br)c1	ZINC000473129616	562900003	/nfs/dbraw/zinc/90/00/03/562900003.db2.gz	HUQPYUYTQWIVIT-SWNXQHNESA-N	-1	2	715.970	7.088	1	30		KKEFLM
O=C(C1=C(c2ccc(O)cc2)/C(=C/c2cc(Br)c(O)c(Br)c2)OC1=O)c1cc(Br)c([O-])c(Br)c1	ZINC000473132686	562900237	/nfs/dbraw/zinc/90/02/37/562900237.db2.gz	UCXYZIBICXOYLD-WSVATBPTSA-N	-1	2	715.970	7.088	1	30		KKEFLM