smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1	ZINC000002935896	561681143	/nfs/dbraw/zinc/68/11/43/561681143.db2.gz	SHWUOIMPXWMTID-AUSIDOKSSA-N	-1	3	503.755	5.650	1	10		KKCFHM
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC[C@H]4NCCc5cc(O)c(O)cc54)cc3)c2)cc1	ZINC000026385084	561784095	/nfs/dbraw/zinc/78/40/95/561784095.db2.gz	XGBKDGIMRVZUCW-JGCGQSQUSA-N	-1	3	644.794	6.533	1	10		KKCFHM
O=C(c1ccc(Cl)cc1)C1CCN(Cc2cc(CN3CCC(C(=O)c4ccc(Cl)cc4)CC3)c(F)c(F)c2[O-])CC1	ZINC000027862287	561887279	/nfs/dbraw/zinc/88/72/79/561887279.db2.gz	GAVOIHLQYROMSW-UHFFFAOYSA-N	-1	3	601.521	7.167	1	10		KKCFHM
[O-]c1cc(F)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c(F)c1CN1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000027869407	561888083	/nfs/dbraw/zinc/88/80/83/561888083.db2.gz	NAEHORZTUYZJIB-UHFFFAOYSA-N	-1	3	577.499	5.944	1	10		KKCFHM
COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)[C@H](C(=O)[O-])c1ccccc1)(c1ccc(F)cc1)C2=O	ZINC000028571219	561939323	/nfs/dbraw/zinc/93/93/23/561939323.db2.gz	ZVPCRFGVNOUFBK-WNCULLNHSA-N	-1	3	530.379	5.606	1	10		KKCFHM
COc1ccc([C@H]2CC(c3c([O-])ccc4ccccc43)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000038178034	562070533	/nfs/dbraw/zinc/07/05/33/562070533.db2.gz	PAVDIAZJLWDSLA-JOCHJYFZSA-N	-1	3	514.494	5.735	1	10		KKCFHM
CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c([O-])c3c(cc2O1)OC(C)(C)[C@H](O)C3	ZINC000014719922	560224849	/nfs/dbraw/zinc/22/48/49/560224849.db2.gz	BTDKFPKJPIGYFD-ZDUHKQCDSA-N	-1	3	508.611	5.820	1	10	in-vitro	KKCFHM
CCCCc1nc(Cl)c([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	ZINC000049780827	562682328	/nfs/dbraw/zinc/68/23/28/562682328.db2.gz	OBMLPGPUZRCJBZ-HXUWFJFHSA-N	-1	3	546.911	7.897	1	10		KKCFHM
O=C1C(=Cc2ccc(-c3cccc(-c4nnn[n-]4)c3F)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000066104048	562711602	/nfs/dbraw/zinc/71/16/02/562711602.db2.gz	FWFAEICJKFSNCU-YVLHZVERSA-N	-1	3	517.489	5.690	1	10		KKCFHM
O=C1C(=Cc2ccc(-c3cccc(-c4nn[n-]n4)c3F)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000066104048	562711603	/nfs/dbraw/zinc/71/16/03/562711603.db2.gz	FWFAEICJKFSNCU-YVLHZVERSA-N	-1	3	517.489	5.690	1	10		KKCFHM
CCCCc1nc(Cl)c(C(=O)OCCCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000073275499	562737265	/nfs/dbraw/zinc/73/72/65/562737265.db2.gz	HIYSQFVPTZPXMO-UHFFFAOYSA-N	-1	3	587.080	5.975	1	10		KKCFHM
CCCCc1nc(Cl)c(C(=O)OCCCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000073275499	562737266	/nfs/dbraw/zinc/73/72/66/562737266.db2.gz	HIYSQFVPTZPXMO-UHFFFAOYSA-N	-1	3	587.080	5.975	1	10		KKCFHM
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc43)C(=O)[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c2c1	ZINC000095611058	562784777	/nfs/dbraw/zinc/78/47/77/562784777.db2.gz	QSUNHDMCVQNXNP-QNGWXLTQSA-N	-1	3	829.782	8.914	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1	ZINC000169327001	562857977	/nfs/dbraw/zinc/85/79/77/562857977.db2.gz	JXGZWPVQZNZTBC-HJWYETAXSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(OC)c1	ZINC000169327024	562857998	/nfs/dbraw/zinc/85/79/98/562857998.db2.gz	LSQRPXQGVJTODR-SFNQZPIRSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1	ZINC000169327062	562858059	/nfs/dbraw/zinc/85/80/59/562858059.db2.gz	RRNXXCRBTDWRQA-GTJUCTONSA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000169331338	562858945	/nfs/dbraw/zinc/85/89/45/562858945.db2.gz	ULKSZVFXGSMZGC-DEXQXJORSA-N	-1	3	616.401	5.779	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Br)c1	ZINC000169331344	562858974	/nfs/dbraw/zinc/85/89/74/562858974.db2.gz	NZLYSILZGOBHTK-OLRZCDJHSA-N	-1	3	616.401	5.779	1	10		KKCFHM
[O-]c1ccc2ccccc2c1[C@H](Nc1nc2c(cccc2Cl)s1)c1cccc(Oc2ccccc2)c1	ZINC000169351682	562862983	/nfs/dbraw/zinc/86/29/83/562862983.db2.gz	HMCJRNHHHUNBTQ-MUUNZHRXSA-N	-1	3	509.030	8.802	1	10		KKCFHM
CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO[P@](=O)(NCCCCN=[N+]=[N-])Oc1ccc(Cl)cc1	ZINC000653739235	562910069	/nfs/dbraw/zinc/91/00/69/562910069.db2.gz	HNSJEPIQYOBLNQ-ZMCHOGLXSA-N	-1	3	632.970	5.233	1	10		KKCFHM
O=C1/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[O-])SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000653856970	562915758	/nfs/dbraw/zinc/91/57/58/562915758.db2.gz	BQDNUVTWOFGUPK-FYYJVHHASA-N	-1	3	525.577	6.468	1	10		KKCFHM
O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2[O-])SC(=S)N1c1cccnc1	ZINC000653878731	562916731	/nfs/dbraw/zinc/91/67/31/562916731.db2.gz	ACKWTOOJMBPVEK-PGOXGVTESA-N	-1	3	508.628	5.998	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1	ZINC000002934353	561681132	/nfs/dbraw/zinc/68/11/32/561681132.db2.gz	UDFHQOOPLNZWLW-AUSIDOKSSA-N	-1	3	530.216	5.620	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1	ZINC000002936813	561681325	/nfs/dbraw/zinc/68/13/25/561681325.db2.gz	HFNGYYIRICQICP-JPYJTQIMSA-N	-1	3	503.755	5.650	1	10		KKCFHM
O=C([O-])CCCCCCc1ccc(C(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc43)cc2)cc1	ZINC000026850354	561827182	/nfs/dbraw/zinc/82/71/82/561827182.db2.gz	OSJYYMJDMRDSMF-UHFFFAOYSA-N	-1	3	517.629	7.962	1	10		KKCFHM
[O-]c1c(F)cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)c(F)c1CN1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000027863562	561887424	/nfs/dbraw/zinc/88/74/24/561887424.db2.gz	KSHHVVSGFPMUMG-UHFFFAOYSA-N	-1	3	577.499	5.944	1	10		KKCFHM
Cc1cc(OCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040913829	562083635	/nfs/dbraw/zinc/08/36/35/562083635.db2.gz	BQWPDTKCNRXHRG-QHCPKHFHSA-N	-1	3	501.797	6.494	1	10		KKCFHM
Cn1c2ccccc2c2cc(C[NH+](Cc3ccccn3)Cc3cc4c5ccccc5n(C)c4cc3[O-])c([O-])cc21	ZINC000049803340	562686134	/nfs/dbraw/zinc/68/61/34/562686134.db2.gz	ZQJIFJRQGCQLGS-UHFFFAOYSA-N	-1	3	526.640	6.985	1	10		KKCFHM
O=C1C(=Cc2ccc(-c3ccc(F)c(-c4nnn[n-]4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000066102657	562711453	/nfs/dbraw/zinc/71/14/53/562711453.db2.gz	FYWPAKALOKGXDY-ZDLGFXPLSA-N	-1	3	517.489	5.690	1	10		KKCFHM
O=C1C(=Cc2ccc(-c3ccc(F)c(-c4nn[n-]n4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000066102657	562711454	/nfs/dbraw/zinc/71/14/54/562711454.db2.gz	FYWPAKALOKGXDY-ZDLGFXPLSA-N	-1	3	517.489	5.690	1	10		KKCFHM
COc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)c([O-])c1	ZINC000095570778	562768512	/nfs/dbraw/zinc/76/85/12/562768512.db2.gz	KOYUSQKPNMWLLG-QFIPXVFZSA-N	-1	3	564.988	6.087	1	10		KKCFHM
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc43)C(=O)[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c2c1	ZINC000095611059	562784762	/nfs/dbraw/zinc/78/47/62/562784762.db2.gz	QSUNHDMCVQNXNP-DIPNUNPCSA-N	-1	3	829.782	8.914	1	10		KKCFHM
CCCCc1nc2ccn(Cc3ccc(N)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000103197395	562815884	/nfs/dbraw/zinc/81/58/84/562815884.db2.gz	POFCFEBEAJTSNP-UHFFFAOYSA-N	-1	3	530.636	5.067	1	10		KKCFHM
CCCCc1nc2ccn(Cc3ccc(N)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000103197395	562815885	/nfs/dbraw/zinc/81/58/85/562815885.db2.gz	POFCFEBEAJTSNP-UHFFFAOYSA-N	-1	3	530.636	5.067	1	10		KKCFHM
O=C1C(=Cc2cn(CCCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl	ZINC000150594855	562846554	/nfs/dbraw/zinc/84/65/54/562846554.db2.gz	KXNKGNFNOSZLJT-YQYKVWLJSA-N	-1	3	713.617	10.505	1	10		KKCFHM
CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCc4ccc(CNC(=O)c5cc([O-])c6c(c5)C(=O)c5cccc(O)c5C6=O)cc4)c3[C@@H](C1)C2	ZINC000169306611	562853611	/nfs/dbraw/zinc/85/36/11/562853611.db2.gz	BMUWOXBZGNXOSU-RPWUZVMVSA-N	-1	3	670.165	7.613	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000169327038	562857996	/nfs/dbraw/zinc/85/79/96/562857996.db2.gz	XKVIREVAZLSBIJ-JYRCXFKTSA-N	-1	3	537.505	5.016	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1	ZINC000169327055	562858061	/nfs/dbraw/zinc/85/80/61/562858061.db2.gz	RRNXXCRBTDWRQA-WHUARKNTSA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(C)cc1	ZINC000169331587	562859038	/nfs/dbraw/zinc/85/90/38/562859038.db2.gz	CGWDHSCPEVPKGI-LDLUVENISA-N	-1	3	551.532	5.324	1	10		KKCFHM
COc1cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c([O-])c(C[NH+]6CCCCC6)c5ccn4c3c(=O)oc2cc1[O-]	ZINC000299826822	562883956	/nfs/dbraw/zinc/88/39/56/562883956.db2.gz	NPHBJRVUEBAFLN-UHFFFAOYSA-N	-1	3	596.636	6.148	1	10		KKCFHM
CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccccc3[O-])SC2=S)c1	ZINC000299832610	562885885	/nfs/dbraw/zinc/88/58/85/562885885.db2.gz	QBMVGAGRJVYLBD-TXUMJUCDSA-N	-1	3	515.616	5.375	1	10		KKCFHM
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(C[NH2+]C5CCOCC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000473120278	562899327	/nfs/dbraw/zinc/89/93/27/562899327.db2.gz	CLIQHSCSDXIKBL-XNLBHAQUSA-N	-1	3	810.938	5.023	1	10		KKCFHM
CN1CCN(CCCOc2ccc(N3C(=O)/C(=C/c4ccc(Oc5ccc(C(=O)[O-])cc5)cc4)SC3=S)cc2)CC1	ZINC000653697071	562907042	/nfs/dbraw/zinc/90/70/42/562907042.db2.gz	CYWFMZJGYMZOFH-HFTWOUSFSA-N	-1	3	589.739	5.599	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1	ZINC000002936811	561681321	/nfs/dbraw/zinc/68/13/21/561681321.db2.gz	HFNGYYIRICQICP-WZONZLPQSA-N	-1	3	503.755	5.650	1	10		KKCFHM
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000028822676	561967581	/nfs/dbraw/zinc/96/75/81/561967581.db2.gz	HLKOTEDELHPERH-UHFFFAOYSA-N	-1	3	523.333	5.956	1	10		KKCFHM
CCOC(=O)COc1ccc(C(=O)c2cc(CN3CCCCC3)c([O-])c(CN3CCCCC3)c2)c(Cl)c1Cl	ZINC000029343592	562015811	/nfs/dbraw/zinc/01/58/11/562015811.db2.gz	JAWAKQZXXGEYAT-UHFFFAOYSA-N	-1	3	563.522	5.844	1	10		KKCFHM
[O-]c1c(CN2CCOCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc32)cc1CN1CCOCC1	ZINC000029488411	562028788	/nfs/dbraw/zinc/02/87/88/562028788.db2.gz	JKYZAOOQVVBIAR-UHFFFAOYSA-N	-1	3	560.698	6.169	1	10		KKCFHM
CC(=O)c1ccc(NCC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000040913964	562083648	/nfs/dbraw/zinc/08/36/48/562083648.db2.gz	RBASOWVQRXKYIO-XMMPIXPASA-N	-1	3	504.930	5.022	1	10		KKCFHM
Cc1cc(OCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040913831	562083688	/nfs/dbraw/zinc/08/36/88/562083688.db2.gz	BQWPDTKCNRXHRG-HSZRJFAPSA-N	-1	3	501.797	6.494	1	10		KKCFHM
Cc1ccc(C2=NN[C@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3[O-])C2)cc1	ZINC000071294479	562716903	/nfs/dbraw/zinc/71/69/03/562716903.db2.gz	DJXTZOPWHVAQFS-CONSDPRKSA-N	-1	3	516.645	6.183	1	10		KKCFHM
Cc1ccc(C2=NN[C@@H](c3cc(Cc4ccc([O-])c([C@@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3O)C2)cc1	ZINC000071294480	562716916	/nfs/dbraw/zinc/71/69/16/562716916.db2.gz	DJXTZOPWHVAQFS-QRRGNZNSSA-N	-1	3	516.645	6.183	1	10		KKCFHM
Cc1ccc(C2=NN[C@@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3[O-])C2)cc1	ZINC000071294480	562716917	/nfs/dbraw/zinc/71/69/17/562716917.db2.gz	DJXTZOPWHVAQFS-QRRGNZNSSA-N	-1	3	516.645	6.183	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582236	562845524	/nfs/dbraw/zinc/84/55/24/562845524.db2.gz	JIXCEOPOYUFFSV-XLNFBEDTSA-N	-1	3	640.675	5.912	1	10		KKCFHM
Nc1ccc(Oc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc2C(=O)[N-]S(=O)(=O)c2ccc(NCC3CCOCC3)c([N+](=O)[O-])c2)cc1	ZINC000165288178	562850090	/nfs/dbraw/zinc/85/00/90/562850090.db2.gz	IUVGTMVWFCZRNT-UHFFFAOYSA-N	-1	3	811.361	7.569	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000169326964	562857947	/nfs/dbraw/zinc/85/79/47/562857947.db2.gz	LWZSYMQEHFEMQB-DEXQXJORSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1	ZINC000169327035	562858000	/nfs/dbraw/zinc/85/80/00/562858000.db2.gz	WDYIUGPZBKYXEJ-ADKRDUOOSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000169330533	562858720	/nfs/dbraw/zinc/85/87/20/562858720.db2.gz	ABZVKOURCAHCGJ-MHZLTWQESA-N	-1	3	602.374	5.390	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000169331337	562858972	/nfs/dbraw/zinc/85/89/72/562858972.db2.gz	ULKSZVFXGSMZGC-HJWYETAXSA-N	-1	3	616.401	5.779	1	10		KKCFHM
CN(C)c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)Cc3ccccc3)ccc2Sc2ccccc2)cc1	ZINC000027430599	561859208	/nfs/dbraw/zinc/85/92/08/561859208.db2.gz	YFKSJPJLKCHZEX-UHFFFAOYSA-N	-1	3	531.703	5.776	1	10		KKCFHM
O=C1c2ccccc2C(=O)N1Cc1c([O-])ccc2c(/C=C/c3ccc(O)cc3)cc3nc4ccccc4n3c21	ZINC000028819631	561965610	/nfs/dbraw/zinc/96/56/10/561965610.db2.gz	HPQBLOVWHIIMFO-FMIVXFBMSA-N	-1	3	511.537	6.019	1	10		KKCFHM
COC(=O)C(C)(C)c1nc2n(c1CN(C)Cc1ccccc1[O-])c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F	ZINC000029473774	562026046	/nfs/dbraw/zinc/02/60/46/562026046.db2.gz	PBIDMWZNERIHPU-UHFFFAOYSA-N	-1	3	612.702	5.456	1	10		KKCFHM
O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccccc2[O-])C1	ZINC000150573923	562845201	/nfs/dbraw/zinc/84/52/01/562845201.db2.gz	MHUNNBGORSGZME-SANMLTNESA-N	-1	3	628.474	5.633	1	10		KKCFHM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cn(CCCOc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12	ZINC000150594857	562846574	/nfs/dbraw/zinc/84/65/74/562846574.db2.gz	HZNLKIFIXCRSFS-LQNQUEJISA-N	-1	3	630.100	8.049	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1	ZINC000169326980	562857905	/nfs/dbraw/zinc/85/79/05/562857905.db2.gz	WJNWVMFWFDUGOS-WVDZOPJMSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000169326961	562857913	/nfs/dbraw/zinc/85/79/13/562857913.db2.gz	LWZSYMQEHFEMQB-HJWYETAXSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Cl)c1	ZINC000169326971	562857927	/nfs/dbraw/zinc/85/79/27/562857927.db2.gz	TURUXYRZXZQFMF-HJWYETAXSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1F	ZINC000169326991	562857960	/nfs/dbraw/zinc/85/79/60/562857960.db2.gz	SSNINDYYVBJJML-WVDZOPJMSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC	ZINC000169327011	562857981	/nfs/dbraw/zinc/85/79/81/562857981.db2.gz	VSKJILPZORNUII-JWRCQZCYSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1	ZINC000169327028	562857987	/nfs/dbraw/zinc/85/79/87/562857987.db2.gz	WDYIUGPZBKYXEJ-CQGGRAHPSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1	ZINC000169327059	562858019	/nfs/dbraw/zinc/85/80/19/562858019.db2.gz	RRNXXCRBTDWRQA-PSTIOWGYSA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000169330534	562858727	/nfs/dbraw/zinc/85/87/27/562858727.db2.gz	KEHCILKMVOAYSU-HHHXNRCGSA-N	-1	3	602.374	5.390	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Br)c1	ZINC000169331342	562858952	/nfs/dbraw/zinc/85/89/52/562858952.db2.gz	NZLYSILZGOBHTK-HJWYETAXSA-N	-1	3	616.401	5.779	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000169331339	562858956	/nfs/dbraw/zinc/85/89/56/562858956.db2.gz	ULKSZVFXGSMZGC-OLRZCDJHSA-N	-1	3	616.401	5.779	1	10		KKCFHM
COc1ccc(C2=NN(/C=C3\SC(=S)N(c4cccc(OC(C)=O)c4)C3=O)[C@@H](c3ccccc3[O-])C2)cc1	ZINC000299830258	562885201	/nfs/dbraw/zinc/88/52/01/562885201.db2.gz	MEQISZCJKMGKAP-UTZZCCADSA-N	-1	3	545.642	5.384	1	10		KKCFHM
Cc1c(=O)[n-]c(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1[C@@H](C)c1c(Cl)cccc1Cl	ZINC000653732499	562909522	/nfs/dbraw/zinc/90/95/22/562909522.db2.gz	HPEPSXQDXQIPLK-KRWDZBQOSA-N	-1	3	500.474	5.337	1	10		KKCFHM
O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2[O-])SC(=S)N1c1cccnc1	ZINC000653878732	562916721	/nfs/dbraw/zinc/91/67/21/562916721.db2.gz	ACKWTOOJMBPVEK-XGPRFBRNSA-N	-1	3	508.628	5.998	1	10		KKCFHM
CC(C)=CCc1c(O)c(O)cc2c1OC(=O)c1c(O)c(CC/C=C(\C)CCCC(C)(C)O)c([O-])cc1O2	ZINC000095099120	291911603	/nfs/dbraw/zinc/91/16/03/291911603.db2.gz	BGQDQJFUOISXDC-CAOOACKPSA-N	-1	3	512.599	6.163	1	10	biogenic,in-vitro	KKCFHM
COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2[O-])N1	ZINC000002935893	561681208	/nfs/dbraw/zinc/68/12/08/561681208.db2.gz	GWUPKQQJJRUFIC-CYFREDJKSA-N	-1	3	515.791	5.519	1	10		KKCFHM
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(OC[C@H]4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1	ZINC000026388988	561785178	/nfs/dbraw/zinc/78/51/78/561785178.db2.gz	PBDUGJXIYQGSPE-JGCGQSQUSA-N	-1	3	644.794	6.533	1	10		KKCFHM
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc43)C(=O)CCC(=O)[O-])c2c1	ZINC000026578280	561803130	/nfs/dbraw/zinc/80/31/30/561803130.db2.gz	KWBWIJBAFYNNDO-UHFFFAOYSA-N	-1	3	714.650	8.411	1	10		KKCFHM
[O-]c1c(F)cc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1CN1CCN(c2ccc(Cl)cc2)CC1	ZINC000027861217	561887088	/nfs/dbraw/zinc/88/70/88/561887088.db2.gz	XXWKPUNIFIWEFF-UHFFFAOYSA-N	-1	3	529.487	5.483	1	10		KKCFHM
CC(C)(C)c1ccc(OCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000040411366	562075345	/nfs/dbraw/zinc/07/53/45/562075345.db2.gz	VRHSHIZKNVOQQA-RUZDIDTESA-N	-1	3	509.433	6.829	1	10		KKCFHM
CC(=O)c1ccc(NCC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000040913962	562083615	/nfs/dbraw/zinc/08/36/15/562083615.db2.gz	RBASOWVQRXKYIO-DEOSSOPVSA-N	-1	3	504.930	5.022	1	10		KKCFHM
Cc1cc(OCC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040933889	562084578	/nfs/dbraw/zinc/08/45/78/562084578.db2.gz	UAXMKKYXZZBCAQ-HSZRJFAPSA-N	-1	3	512.349	5.748	1	10		KKCFHM
O=C(Oc1c2oc3cc([O-])c(O)cc3c2c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1)c1ccccc1	ZINC000086047383	560065972	/nfs/dbraw/zinc/06/59/72/560065972.db2.gz	QGMPKFMWYWBGOR-UHFFFAOYSA-N	-1	3	548.503	6.514	1	10	biogenic,in-vitro	KKCFHM
CCCCc1nc(Cl)c([C@H]2CC(c3ccccc3[O-])=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	ZINC000049073421	562664251	/nfs/dbraw/zinc/66/42/51/562664251.db2.gz	HKFLMEHDGGIIFI-HXUWFJFHSA-N	-1	3	512.466	7.244	1	10		KKCFHM
[O-]c1ccc(Br)cc1C1=NN(C(=S)Nc2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)C1	ZINC000049775739	562679200	/nfs/dbraw/zinc/67/92/00/562679200.db2.gz	YLLCRQLKRRVTRD-XMMPIXPASA-N	-1	3	537.483	5.539	1	10		KKCFHM
CCCCc1nc(Cl)c([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	ZINC000049780826	562682310	/nfs/dbraw/zinc/68/23/10/562682310.db2.gz	OBMLPGPUZRCJBZ-FQEVSTJZSA-N	-1	3	546.911	7.897	1	10		KKCFHM
Cc1c(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2ccc([O-])cc2)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	ZINC000058582802	562699977	/nfs/dbraw/zinc/69/99/77/562699977.db2.gz	NOXMAUKUIYQBMP-UHFFFAOYSA-N	-1	3	692.808	9.695	1	10		KKCFHM
[O-]c1cc2c(cc1O)-c1nc3[nH]c(nc4nc(nc5[nH]c(nc-2n1)c1ccccc15)-c1ccccc1-4)c1ccccc13	ZINC000096905101	562798502	/nfs/dbraw/zinc/79/85/02/562798502.db2.gz	IMFYSPKQBXTEES-UHFFFAOYSA-N	-1	3	546.550	6.280	1	10		KKCFHM
O=C1C(=Cc2cn(CCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl	ZINC000150594853	562846544	/nfs/dbraw/zinc/84/65/44/562846544.db2.gz	OZUDNSLTDXTQNF-COEJQBHMSA-N	-1	3	699.590	10.115	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1	ZINC000169327004	562857989	/nfs/dbraw/zinc/85/79/89/562857989.db2.gz	JXGZWPVQZNZTBC-DEXQXJORSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1	ZINC000169327054	562858063	/nfs/dbraw/zinc/85/80/63/562858063.db2.gz	RRNXXCRBTDWRQA-AYLZSAKASA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	ZINC000169331345	562858976	/nfs/dbraw/zinc/85/89/76/562858976.db2.gz	WMQNMIIKEGBYTM-WVDZOPJMSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000169331329	562858988	/nfs/dbraw/zinc/85/89/88/562858988.db2.gz	IOTIFNDRCHVNBK-WVDZOPJMSA-N	-1	3	616.401	5.779	1	10		KKCFHM
COc1ccc([C@H](Nc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2[O-])c(OC)c1OC	ZINC000203772061	562874082	/nfs/dbraw/zinc/87/40/82/562874082.db2.gz	OYGCVJIFXAIWEU-OAQYLSRUSA-N	-1	3	500.382	6.178	1	10		KKCFHM
CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccccc3[O-])SC2=S)cc1	ZINC000653856989	562915787	/nfs/dbraw/zinc/91/57/87/562915787.db2.gz	FROJHKHXJZYFHX-TXUMJUCDSA-N	-1	3	515.616	5.375	1	10		KKCFHM
CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3[O-])SC2=S)cc1	ZINC000653899374	562917468	/nfs/dbraw/zinc/91/74/68/562917468.db2.gz	KZWXOGUYTXOLSQ-HXCVMZKZSA-N	-1	3	565.676	6.528	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1	ZINC000002935903	561681119	/nfs/dbraw/zinc/68/11/19/561681119.db2.gz	QCLDDWCFAWESIF-AUSIDOKSSA-N	-1	3	548.206	5.759	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1	ZINC000002935898	561681151	/nfs/dbraw/zinc/68/11/51/561681151.db2.gz	SHWUOIMPXWMTID-XXBNENTESA-N	-1	3	503.755	5.650	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1	ZINC000002935908	561681276	/nfs/dbraw/zinc/68/12/76/561681276.db2.gz	QCLDDWCFAWESIF-CVDCTZTESA-N	-1	3	548.206	5.759	1	10		KKCFHM
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3cc(OC[C@@H]4NCCc5cc(O)c(O)cc54)ccc3c2)cc1	ZINC000026385397	561784207	/nfs/dbraw/zinc/78/42/07/561784207.db2.gz	GDXZPGVRXBBEKQ-PMERELPUSA-N	-1	3	618.756	6.019	1	10		KKCFHM
Cc1cc(NCC(=O)N[C@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040918411	562084372	/nfs/dbraw/zinc/08/43/72/562084372.db2.gz	XVBXBIRGOPGSAC-HSZRJFAPSA-N	-1	3	511.365	5.782	1	10		KKCFHM
O=C(NCc1c([O-])cc(Cl)cc1Cl)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1	ZINC000043060943	562645148	/nfs/dbraw/zinc/64/51/48/562645148.db2.gz	PRURCEGUXKSSRQ-UHFFFAOYSA-N	-1	3	526.386	6.037	1	10		KKCFHM
CCCCc1ncc(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000049710207	562671579	/nfs/dbraw/zinc/67/15/79/562671579.db2.gz	PYNRTEKOEHJSAD-UHFFFAOYSA-N	-1	3	552.635	5.208	1	10		KKCFHM
CCCCc1ncc(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000049710207	562671580	/nfs/dbraw/zinc/67/15/80/562671580.db2.gz	PYNRTEKOEHJSAD-UHFFFAOYSA-N	-1	3	552.635	5.208	1	10		KKCFHM
O=C(Cc1ccccc1)Oc1c2c3cc(O)c([O-])cc3oc2c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c1OC(=O)Cc1ccccc1	ZINC000049780120	562681365	/nfs/dbraw/zinc/68/13/65/562681365.db2.gz	JJDLGUWMMXXQOA-UHFFFAOYSA-N	-1	3	694.692	7.814	1	10		KKCFHM
O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3[O-])n(Cc3cc(Br)ccc3O)c2c1	ZINC000103256015	562820782	/nfs/dbraw/zinc/82/07/82/562820782.db2.gz	FAYVDJDMYLGDEB-UHFFFAOYSA-N	-1	3	519.149	5.596	1	10		KKCFHM
O=C(Sc1nc2ccc3c(c2[n-]1)C(=O)c1ccccc1C3=O)c1cc(C(F)(F)F)ccc1C(F)(F)F	ZINC000103265437	562822115	/nfs/dbraw/zinc/82/21/15/562822115.db2.gz	RICVUWQNYMUZAF-UHFFFAOYSA-N	-1	3	520.410	6.308	1	10		KKCFHM
O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccccc2[O-])C1	ZINC000150573926	562845195	/nfs/dbraw/zinc/84/51/95/562845195.db2.gz	MHUNNBGORSGZME-AREMUKBSSA-N	-1	3	628.474	5.633	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1F	ZINC000169326997	562857964	/nfs/dbraw/zinc/85/79/64/562857964.db2.gz	SSNINDYYVBJJML-OLRZCDJHSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC	ZINC000169327016	562857970	/nfs/dbraw/zinc/85/79/70/562857970.db2.gz	VSKJILPZORNUII-ADKRDUOOSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC	ZINC000169327013	562857979	/nfs/dbraw/zinc/85/79/79/562857979.db2.gz	VSKJILPZORNUII-SFNQZPIRSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc2ccccc21	ZINC000169327048	562858012	/nfs/dbraw/zinc/85/80/12/562858012.db2.gz	IFYHDNAFNWCGPV-WHUARKNTSA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000169330536	562858752	/nfs/dbraw/zinc/85/87/52/562858752.db2.gz	KEHCILKMVOAYSU-MHZLTWQESA-N	-1	3	602.374	5.390	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000169331316	562858909	/nfs/dbraw/zinc/85/89/09/562858909.db2.gz	OHUJZFSAWSADST-HHHXNRCGSA-N	-1	3	557.923	5.281	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Br)c1	ZINC000169331340	562858947	/nfs/dbraw/zinc/85/89/47/562858947.db2.gz	NZLYSILZGOBHTK-WVDZOPJMSA-N	-1	3	616.401	5.779	1	10		KKCFHM
COc1cc([C@H](Nc2nc3c(cccc3Cl)s2)c2c([O-])ccc3ccccc32)cc(OC)c1OC	ZINC000169352039	562863062	/nfs/dbraw/zinc/86/30/62/562863062.db2.gz	ZYSZVKSFJNBQNT-DEOSSOPVSA-N	-1	3	507.011	7.036	1	10		KKCFHM
COc1ccc(C2=NN(/C=C3\SC(=S)N(c4cccc(OC(C)=O)c4)C3=O)[C@H](c3ccccc3[O-])C2)cc1	ZINC000299830260	562885179	/nfs/dbraw/zinc/88/51/79/562885179.db2.gz	MEQISZCJKMGKAP-XPRKOMQSSA-N	-1	3	545.642	5.384	1	10		KKCFHM
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(C[NH2+]CC5CCOCC5)c(c(O)c4c([O-])c3C)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O	ZINC000473119275	562899303	/nfs/dbraw/zinc/89/93/03/562899303.db2.gz	AKDQEXCEINVNBV-DFVROAMOSA-N	-1	3	824.965	5.270	1	10		KKCFHM
O=C1/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2[O-])SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000653856971	562915737	/nfs/dbraw/zinc/91/57/37/562915737.db2.gz	BQDNUVTWOFGUPK-XUVWKZFSSA-N	-1	3	525.577	6.468	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1	ZINC000002934358	561681197	/nfs/dbraw/zinc/68/11/97/561681197.db2.gz	UDFHQOOPLNZWLW-WMZHIEFXSA-N	-1	3	530.216	5.620	1	10		KKCFHM
COc1cc(C(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])cc(OC)c1OC	ZINC000008583612	561705845	/nfs/dbraw/zinc/70/58/45/561705845.db2.gz	LTFXUXXCVRHFDC-QFIPXVFZSA-N	-1	3	513.377	5.792	1	10		KKCFHM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc43)cc2)cc1	ZINC000026845049	561826402	/nfs/dbraw/zinc/82/64/02/561826402.db2.gz	QHRKVZBTLUKNEP-UHFFFAOYSA-N	-1	3	527.562	5.200	1	10		KKCFHM
N=C(N)Nc1cccc(S(=O)(=O)[N-]c2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc43)cc2)c1	ZINC000026846590	561826631	/nfs/dbraw/zinc/82/66/31/561826631.db2.gz	IEZARPDGJUMXIH-UHFFFAOYSA-N	-1	3	527.566	5.146	1	10		KKCFHM
COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2[O-])[C@@H](c2ccc(Cl)cc2)C1=O	ZINC000038377669	562071629	/nfs/dbraw/zinc/07/16/29/562071629.db2.gz	ZMHHWPQWCVSKMV-VWLOTQADSA-N	-1	3	655.316	5.697	1	10		KKCFHM
Cc1c2c(oc1C(c1oc3c(c1C)C(=O)C(=O)c1c-3ccc3c1CCCC3(C)C)c1ccc([O-])c(O)c1)-c1ccc3c(c1C(=O)C2=O)CCCC3(C)C	ZINC000058583474	562700130	/nfs/dbraw/zinc/70/01/30/562700130.db2.gz	CJLDWJHJGPSPGQ-UHFFFAOYSA-N	-1	3	708.807	9.401	1	10		KKCFHM
Cc1c2c(oc1C(c1oc3c(c1C)C(=O)C(=O)c1c-3ccc3c1CCCC3(C)C)c1ccc(O)c([O-])c1)-c1ccc3c(c1C(=O)C2=O)CCCC3(C)C	ZINC000058583474	562700131	/nfs/dbraw/zinc/70/01/31/562700131.db2.gz	CJLDWJHJGPSPGQ-UHFFFAOYSA-N	-1	3	708.807	9.401	1	10		KKCFHM
Cc1cc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c43)cc2)no1	ZINC000073258357	562737100	/nfs/dbraw/zinc/73/71/00/562737100.db2.gz	GZGVCWYDKIBYBG-UHFFFAOYSA-N	-1	3	579.082	5.174	1	10		KKCFHM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4nc4ccc(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cc43)cc2)n1	ZINC000082190807	562742633	/nfs/dbraw/zinc/74/26/33/562742633.db2.gz	DCBWYWAFMKJOMT-UHFFFAOYSA-N	-1	3	653.746	5.239	1	10		KKCFHM
O=C(NCCCCCCCCCCNc1c2ccccc2nc2c1CCCC2)c1cc(=O)c2cc(O)c([O-])cc2o1	ZINC000084619167	562745197	/nfs/dbraw/zinc/74/51/97/562745197.db2.gz	YMRPMJKWTYJBPC-UHFFFAOYSA-N	-1	3	557.691	6.594	1	10		KKCFHM
O=C([O-])CCCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc43)cc2)cc1	ZINC000095610919	562784648	/nfs/dbraw/zinc/78/46/48/562784648.db2.gz	NOALVUZUDKMSNQ-UHFFFAOYSA-N	-1	3	504.590	7.573	1	10		KKCFHM
COc1cccc(CNc2ccc(S(=O)(=O)[N-]c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cc2)c1O	ZINC000103266566	562822308	/nfs/dbraw/zinc/82/23/08/562822308.db2.gz	JRVFMYCYGBPQMM-UHFFFAOYSA-N	-1	3	567.708	5.928	1	10		KKCFHM
COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cccc3C)C2=O)cc1F	ZINC000150604205	562847576	/nfs/dbraw/zinc/84/75/76/562847576.db2.gz	CPRTYRWYPSLKDC-HPNDGRJYSA-N	-1	3	682.753	5.387	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000169326967	562857941	/nfs/dbraw/zinc/85/79/41/562857941.db2.gz	LWZSYMQEHFEMQB-OLRZCDJHSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(OC)c1	ZINC000169327020	562858004	/nfs/dbraw/zinc/85/80/04/562858004.db2.gz	LSQRPXQGVJTODR-JWRCQZCYSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000169327043	562858010	/nfs/dbraw/zinc/85/80/10/562858010.db2.gz	XKVIREVAZLSBIJ-YMGMXPECSA-N	-1	3	537.505	5.016	1	10		KKCFHM
CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccccc3[O-])SC2=S)c1	ZINC000299832608	562885887	/nfs/dbraw/zinc/88/58/87/562885887.db2.gz	QBMVGAGRJVYLBD-NAZSJVEXSA-N	-1	3	515.616	5.375	1	10		KKCFHM
CC(=O)Oc1ccc2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C4(O)CCCCC4)c3)c([O-])c1C2=O	ZINC000085593386	291907247	/nfs/dbraw/zinc/90/72/47/291907247.db2.gz	AGIHOAWKVKYXQM-UNNNUCRCSA-N	-1	3	734.798	5.212	1	10	biogenic,in-vitro	KKCFHM
[O-]c1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1	ZINC000002935905	561681136	/nfs/dbraw/zinc/68/11/36/561681136.db2.gz	QCLDDWCFAWESIF-XXBNENTESA-N	-1	3	548.206	5.759	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1	ZINC000002936815	561681278	/nfs/dbraw/zinc/68/12/78/561681278.db2.gz	HFNGYYIRICQICP-FDDCHVKYSA-N	-1	3	503.755	5.650	1	10		KKCFHM
COc1ccc([C@@H]2CC(c3c([O-])ccc4ccccc43)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000005838544	561699111	/nfs/dbraw/zinc/69/91/11/561699111.db2.gz	PAVDIAZJLWDSLA-QFIPXVFZSA-N	-1	3	514.494	5.735	1	10		KKCFHM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NCc1cccc(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O)C(C)C)C(=O)[O-]	ZINC000026826622	561822130	/nfs/dbraw/zinc/82/21/30/561822130.db2.gz	FYEYFOSDWJETPK-OUVQTOMUSA-N	-1	3	722.005	7.354	1	10		KKCFHM
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)Nc2ccccc2C(=O)c2ccccc2)cc1	ZINC000028704560	561948678	/nfs/dbraw/zinc/94/86/78/561948678.db2.gz	SRFCYPPPLXTILT-UMSFTDKQSA-N	-1	3	708.815	6.778	1	10		KKCFHM
CCCCc1nc(Cl)c([C@@H]2CC(c3cc(Cl)c(C)cc3[O-])=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	ZINC000049781076	562682616	/nfs/dbraw/zinc/68/26/16/562682616.db2.gz	ZMEKGJVRFLJHIZ-NRFANRHFSA-N	-1	3	560.938	8.206	1	10		KKCFHM
[O-]c1ccc(Cc2ccc(O)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1	ZINC000071294993	562717063	/nfs/dbraw/zinc/71/70/63/562717063.db2.gz	INMQHLIMMGRRJC-VMPREFPWSA-N	-1	3	557.481	6.873	1	10		KKCFHM
CCCCc1nc(Cl)c(C(=O)NCCCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000073274384	562737198	/nfs/dbraw/zinc/73/71/98/562737198.db2.gz	DNUXOXPBCWZABH-UHFFFAOYSA-N	-1	3	586.096	5.548	1	10		KKCFHM
CCCCc1nc(Cl)c(C(=O)NCCCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000073274384	562737199	/nfs/dbraw/zinc/73/71/99/562737199.db2.gz	DNUXOXPBCWZABH-UHFFFAOYSA-N	-1	3	586.096	5.548	1	10		KKCFHM
O=C1Nc2ccccc2C1=Cc1cn(CCCCOc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12	ZINC000103237477	562819052	/nfs/dbraw/zinc/81/90/52/562819052.db2.gz	AXUWVIKYJXPLPA-VEILYXNESA-N	-1	3	568.629	7.472	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582238	562845556	/nfs/dbraw/zinc/84/55/56/562845556.db2.gz	JIXCEOPOYUFFSV-WOGQQFDQSA-N	-1	3	640.675	5.912	1	10		KKCFHM
COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1F	ZINC000150604218	562847604	/nfs/dbraw/zinc/84/76/04/562847604.db2.gz	QYRPPRMBXWRGIN-HIXSDJFHSA-N	-1	3	707.134	5.562	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Cl)c1	ZINC000169326973	562857954	/nfs/dbraw/zinc/85/79/54/562857954.db2.gz	TURUXYRZXZQFMF-DEXQXJORSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1	ZINC000169327006	562857956	/nfs/dbraw/zinc/85/79/56/562857956.db2.gz	JXGZWPVQZNZTBC-OLRZCDJHSA-N	-1	3	555.495	5.155	1	10		KKCFHM
COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2[O-])N1	ZINC000002935888	561681140	/nfs/dbraw/zinc/68/11/40/561681140.db2.gz	GWUPKQQJJRUFIC-NTKDMRAZSA-N	-1	3	515.791	5.519	1	10		KKCFHM
COc1cc(C(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])cc(OC)c1OC	ZINC000008583613	561705872	/nfs/dbraw/zinc/70/58/72/561705872.db2.gz	LTFXUXXCVRHFDC-JOCHJYFZSA-N	-1	3	513.377	5.792	1	10		KKCFHM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Nc3c4ccccc4nc4ccccc43)cc2)cc1	ZINC000026935427	561827520	/nfs/dbraw/zinc/82/75/20/561827520.db2.gz	RUJYLPPNGFFHRH-UHFFFAOYSA-N	-1	3	503.605	5.336	1	10		KKCFHM
CC(C)(C)c1ccc(OCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000040411363	562075281	/nfs/dbraw/zinc/07/52/81/562075281.db2.gz	VRHSHIZKNVOQQA-VWLOTQADSA-N	-1	3	509.433	6.829	1	10		KKCFHM
[O-]c1ccc(Br)cc1C1=NN(C(=S)Nc2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)C1	ZINC000049775738	562679190	/nfs/dbraw/zinc/67/91/90/562679190.db2.gz	YLLCRQLKRRVTRD-DEOSSOPVSA-N	-1	3	537.483	5.539	1	10		KKCFHM
Cc1ccc(C2=NN[C@@H](c3cc(Cc4ccc(O)c([C@H]5CC(c6ccc(C)cc6)=NN5)c4)ccc3[O-])C2)cc1	ZINC000071294481	562716948	/nfs/dbraw/zinc/71/69/48/562716948.db2.gz	DJXTZOPWHVAQFS-FIRIVFDPSA-N	-1	3	516.645	6.183	1	10		KKCFHM
[O-]c1ccc(Cc2ccc(O)c([C@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1	ZINC000071294994	562717098	/nfs/dbraw/zinc/71/70/98/562717098.db2.gz	INMQHLIMMGRRJC-ISILISOKSA-N	-1	3	557.481	6.873	1	10		KKCFHM
[O-]c1ccc(Cc2ccc(O)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@H]1CC(c2ccc(Cl)cc2)=NN1	ZINC000071294994	562717099	/nfs/dbraw/zinc/71/70/99/562717099.db2.gz	INMQHLIMMGRRJC-ISILISOKSA-N	-1	3	557.481	6.873	1	10		KKCFHM
CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2-c2noc(-c3cccc(O)c3[O-])n2)cc1	ZINC000073311961	562737921	/nfs/dbraw/zinc/73/79/21/562737921.db2.gz	CYEAIXZWXLZLRP-UHFFFAOYSA-N	-1	3	500.986	6.678	1	10		KKCFHM
O=C1Nc2ccccc2C1=Cc1cn(CCCOc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12	ZINC000103237474	562819063	/nfs/dbraw/zinc/81/90/63/562819063.db2.gz	KUHYCYZPVRQIEP-PKAZHMFMSA-N	-1	3	554.602	7.082	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582854	562845593	/nfs/dbraw/zinc/84/55/93/562845593.db2.gz	VIGKDECOPUEODR-DWEWYUIOSA-N	-1	3	657.130	6.426	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(F)c1	ZINC000169326998	562857966	/nfs/dbraw/zinc/85/79/66/562857966.db2.gz	JXGZWPVQZNZTBC-WVDZOPJMSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc2ccccc21	ZINC000169327050	562858041	/nfs/dbraw/zinc/85/80/41/562858041.db2.gz	IFYHDNAFNWCGPV-PSTIOWGYSA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(C)c1	ZINC000169327070	562858065	/nfs/dbraw/zinc/85/80/65/562858065.db2.gz	PUZAGNJBSXUXEW-YRVHBCJASA-N	-1	3	551.532	5.324	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	ZINC000169331347	562858954	/nfs/dbraw/zinc/85/89/54/562858954.db2.gz	WMQNMIIKEGBYTM-DEXQXJORSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Br)c1	ZINC000169331343	562858960	/nfs/dbraw/zinc/85/89/60/562858960.db2.gz	NZLYSILZGOBHTK-DEXQXJORSA-N	-1	3	616.401	5.779	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(C)cc1	ZINC000169331592	562859032	/nfs/dbraw/zinc/85/90/32/562859032.db2.gz	CGWDHSCPEVPKGI-YRVHBCJASA-N	-1	3	551.532	5.324	1	10		KKCFHM
CC(C)(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c([O-])c(O)c1O	ZINC000299869831	562895380	/nfs/dbraw/zinc/89/53/80/562895380.db2.gz	VKFYBXSTNFNKDZ-UHFFFAOYSA-N	-1	3	587.738	7.074	1	10		KKCFHM
CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO[P@@](=O)(NCCCCN=[N+]=[N-])Oc1ccc(Cl)cc1	ZINC000653739234	562910067	/nfs/dbraw/zinc/91/00/67/562910067.db2.gz	HNSJEPIQYOBLNQ-FXJRDRSSSA-N	-1	3	632.970	5.233	1	10		KKCFHM
CC(=O)Oc1c(OC(=O)Cc2ccccc2)c2c3cc(O)c([O-])cc3oc2c(OC(=O)Cc2ccccc2)c1-c1ccc(O)cc1	ZINC000086047390	565171338	/nfs/dbraw/zinc/17/13/38/565171338.db2.gz	YLVDTLQWSZYGIN-UHFFFAOYSA-N	-1	3	618.594	6.591	1	10	biogenic,in-vitro	KKCFHM
COc1cc2c3cc1-c1c([O-])c4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc([O-])c(c1)Oc1ccc(cc1)C[C@@H]3N(C=O)C=C2OC	ZINC000095912497	565181949	/nfs/dbraw/zinc/18/19/49/565181949.db2.gz	ANFCLBKOBMSSLU-URLMMPGGSA-N	-1	3	620.702	6.360	1	10	biogenic,in-vitro	KKCFHM
COc1cc2c3cc1-c1c([O-])c4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc([O-])c(c1)Oc1ccc(cc1)C[C@@H]3N(C=O)C=C2OC	ZINC000095912497	565181950	/nfs/dbraw/zinc/18/19/50/565181950.db2.gz	ANFCLBKOBMSSLU-URLMMPGGSA-N	-1	3	620.702	6.360	1	10	biogenic,in-vitro	KKCFHM
CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)[O-])cc1)Cc1cccs1	ZINC000013782289	561729710	/nfs/dbraw/zinc/72/97/10/561729710.db2.gz	CJUIGINIVZCIGU-NDEPHWFRSA-N	-1	3	514.647	5.598	1	10		KKCFHM
CC(=O)Nc1ccc2c(c1)nc1c(C)cccc1c2Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000026939894	561827917	/nfs/dbraw/zinc/82/79/17/561827917.db2.gz	QGSNICRDRDDUBN-UHFFFAOYSA-N	-1	3	510.619	6.508	1	10		KKCFHM
CN(C)CCOc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1	ZINC000026973873	561830660	/nfs/dbraw/zinc/83/06/60/561830660.db2.gz	FNNIXABPACGYHW-UHFFFAOYSA-N	-1	3	547.567	5.601	1	10		KKCFHM
O=C1c2ccccc2C(=O)N1Cc1c([O-])ccc2c(/C=C/c3ccc(-c4ccccc4)cc3)cc3nc4ccccc4n3c21	ZINC000028819591	561965577	/nfs/dbraw/zinc/96/55/77/561965577.db2.gz	XCVOBDZXSDXTNL-KNTRCKAVSA-N	-1	3	571.636	7.980	1	10		KKCFHM
Cc1cc(NCC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040918410	562084362	/nfs/dbraw/zinc/08/43/62/562084362.db2.gz	XVBXBIRGOPGSAC-QHCPKHFHSA-N	-1	3	511.365	5.782	1	10		KKCFHM
CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1-c1cc(=O)c2c([O-])c3c(cc2o1)OC(C)(C)[C@H](O)C3	ZINC000095918871	560054822	/nfs/dbraw/zinc/05/48/22/560054822.db2.gz	YQKYWTOACOWENX-HPMURQQHSA-N	-1	3	506.595	5.886	1	10	biogenic,in-vitro	KKCFHM
Cc1cc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c(C)n1-c1cccc(-c2nnn[n-]2)c1	ZINC000073196623	562735163	/nfs/dbraw/zinc/73/51/63/562735163.db2.gz	DDWPHGIECAKTCV-NDENLUEZSA-N	-1	3	526.569	5.699	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)c(C)n1-c1cccc(-c2nn[n-]n2)c1	ZINC000073196623	562735164	/nfs/dbraw/zinc/73/51/64/562735164.db2.gz	DDWPHGIECAKTCV-NDENLUEZSA-N	-1	3	526.569	5.699	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582232	562845516	/nfs/dbraw/zinc/84/55/16/562845516.db2.gz	JIXCEOPOYUFFSV-PRDAIKMNSA-N	-1	3	640.675	5.912	1	10		KKCFHM
COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1F	ZINC000150604224	562847596	/nfs/dbraw/zinc/84/75/96/562847596.db2.gz	IYUADTZSDXXQPS-DARPEHSRSA-N	-1	3	722.696	5.789	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1OC	ZINC000169327008	562858016	/nfs/dbraw/zinc/85/80/16/562858016.db2.gz	VSKJILPZORNUII-CQGGRAHPSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000169331330	562858964	/nfs/dbraw/zinc/85/89/64/562858964.db2.gz	IOTIFNDRCHVNBK-HJWYETAXSA-N	-1	3	616.401	5.779	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	ZINC000169331346	562858982	/nfs/dbraw/zinc/85/89/82/562858982.db2.gz	WMQNMIIKEGBYTM-HJWYETAXSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(C)cc1	ZINC000169331590	562859029	/nfs/dbraw/zinc/85/90/29/562859029.db2.gz	CGWDHSCPEVPKGI-RBSBEOHCSA-N	-1	3	551.532	5.324	1	10		KKCFHM
Cc1cc(CN2CCc3cc(S(=O)(=O)[N-]c4ccc(CCCC5CCCC5)cc4F)ccc3C2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000203662693	562874016	/nfs/dbraw/zinc/87/40/16/562874016.db2.gz	NALUHFIXAFGMBH-UHFFFAOYSA-N	-1	3	667.813	9.124	1	10		KKCFHM
COc1cc(-c2c3c(c(=O)oc4c3cc(OC)c([O-])c4CN(C)C)n3ccc4cc(O)c(OC)cc4c23)ccc1O	ZINC000299825755	562883648	/nfs/dbraw/zinc/88/36/48/562883648.db2.gz	JUHDKRDWFHOFEV-UHFFFAOYSA-N	-1	3	556.571	5.223	1	10		KKCFHM
COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2[O-])N1	ZINC000002935890	561681212	/nfs/dbraw/zinc/68/12/12/561681212.db2.gz	GWUPKQQJJRUFIC-DVECYGJZSA-N	-1	3	515.791	5.519	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1	ZINC000002936817	561681294	/nfs/dbraw/zinc/68/12/94/561681294.db2.gz	HFNGYYIRICQICP-MBSDFSHPSA-N	-1	3	503.755	5.650	1	10		KKCFHM
O=c1[nH]c2c([nH]1)c([N+](=O)[O-])c(Nc1c3ccccc3nc3ccccc31)c([N+](=O)[O-])c2[N-]c1c2ccccc2nc2ccccc21	ZINC000005596524	561697429	/nfs/dbraw/zinc/69/74/29/561697429.db2.gz	QRWUUGVTURCNBF-UHFFFAOYSA-N	-1	3	608.574	7.563	1	10		KKCFHM
Cc1cc([O-])c(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(N4CCOCC4)cc3)C2)cc1Cl	ZINC000049035684	562663551	/nfs/dbraw/zinc/66/35/51/562663551.db2.gz	IFOWDVPPOCACJB-RUZDIDTESA-N	-1	3	507.059	5.739	1	10		KKCFHM
COc1ccc([C@H](NC(=O)COc2ccc(Oc3ccccc3)cc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000049867328	562689453	/nfs/dbraw/zinc/68/94/53/562689453.db2.gz	GDWYSXVODJRTDX-LJAQVGFWSA-N	-1	3	541.003	6.679	1	10		KKCFHM
[O-]c1ccc(Cc2ccc(O)c([C@H]3CC(c4ccc(Cl)cc4)=NN3)c2)cc1[C@H]1CC(c2ccc(Cl)cc2)=NN1	ZINC000071294995	562717108	/nfs/dbraw/zinc/71/71/08/562717108.db2.gz	INMQHLIMMGRRJC-FQLXRVMXSA-N	-1	3	557.481	6.873	1	10		KKCFHM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c43)cc2)n1	ZINC000073333350	562738176	/nfs/dbraw/zinc/73/81/76/562738176.db2.gz	ZPXXUTUFRQQFJK-UHFFFAOYSA-N	-1	3	604.136	5.284	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582857	562845589	/nfs/dbraw/zinc/84/55/89/562845589.db2.gz	VIGKDECOPUEODR-XLNFBEDTSA-N	-1	3	657.130	6.426	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000169326959	562857908	/nfs/dbraw/zinc/85/79/08/562857908.db2.gz	LWZSYMQEHFEMQB-WVDZOPJMSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1	ZINC000169326986	562857916	/nfs/dbraw/zinc/85/79/16/562857916.db2.gz	WJNWVMFWFDUGOS-DEXQXJORSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1F	ZINC000169326995	562857968	/nfs/dbraw/zinc/85/79/68/562857968.db2.gz	SSNINDYYVBJJML-DEXQXJORSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(C)c1	ZINC000169327066	562858071	/nfs/dbraw/zinc/85/80/71/562858071.db2.gz	PUZAGNJBSXUXEW-LBEKAKSKSA-N	-1	3	551.532	5.324	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Cl	ZINC000169331317	562858920	/nfs/dbraw/zinc/85/89/20/562858920.db2.gz	OHUJZFSAWSADST-MHZLTWQESA-N	-1	3	557.923	5.281	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000169331332	562858958	/nfs/dbraw/zinc/85/89/58/562858958.db2.gz	IOTIFNDRCHVNBK-DEXQXJORSA-N	-1	3	616.401	5.779	1	10		KKCFHM
[O-]c1ccc2ccccc2c1[C@@H](Nc1nc2c(cccc2Cl)s1)c1cccc(Oc2ccccc2)c1	ZINC000169351681	562862986	/nfs/dbraw/zinc/86/29/86/562862986.db2.gz	HMCJRNHHHUNBTQ-NDEPHWFRSA-N	-1	3	509.030	8.802	1	10		KKCFHM
COc1cc(-c2c3c(c(=O)oc4c3cc(OC)c([O-])c4CN(C)C)n3ccc4c(cc(OC)c([O-])c4C[NH+](C)C)c23)ccc1O	ZINC000299827697	562884211	/nfs/dbraw/zinc/88/42/11/562884211.db2.gz	QOKNZMXKMGVOQY-UHFFFAOYSA-N	-1	3	613.667	5.285	1	10		KKCFHM
Cc1c(=O)[n-]c(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1[C@H](C)c1c(Cl)cccc1Cl	ZINC000653732500	562909512	/nfs/dbraw/zinc/90/95/12/562909512.db2.gz	HPEPSXQDXQIPLK-QGZVFWFLSA-N	-1	3	500.474	5.337	1	10		KKCFHM
CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccccc3[O-])SC2=S)cc1	ZINC000653899375	562917456	/nfs/dbraw/zinc/91/74/56/562917456.db2.gz	KZWXOGUYTXOLSQ-QSRSGOJESA-N	-1	3	565.676	6.528	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cc(Br)ccc2F)N1	ZINC000002936336	561681314	/nfs/dbraw/zinc/68/13/14/561681314.db2.gz	UURLLHBJUTYWQS-WMZHIEFXSA-N	-1	3	503.755	5.650	1	10		KKCFHM
COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)[C@H](C(=O)[O-])c1ccccc1)(c1ccc(F)cc1)C2=O	ZINC000028571220	561939291	/nfs/dbraw/zinc/93/92/91/561939291.db2.gz	ZVPCRFGVNOUFBK-HOFKKMOUSA-N	-1	3	530.379	5.606	1	10		KKCFHM
CC(C)=CCCC(C)=CCc1c(O)c(O)ccc1[C@@H]1CC(=O)c2c([O-])c3c(cc2O1)OC(C)(C)[C@@H](O)C3	ZINC000014719926	560224873	/nfs/dbraw/zinc/22/48/73/560224873.db2.gz	BTDKFPKJPIGYFD-CQLIZJEZSA-N	-1	3	508.611	5.820	1	10	in-vitro	KKCFHM
CCCCc1nc(Cl)c([C@@H]2CC(c3ccccc3[O-])=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	ZINC000049073419	562664270	/nfs/dbraw/zinc/66/42/70/562664270.db2.gz	HKFLMEHDGGIIFI-FQEVSTJZSA-N	-1	3	512.466	7.244	1	10		KKCFHM
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)c6cc(O)c([O-])c(O)c6)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C	ZINC000072180762	562732606	/nfs/dbraw/zinc/73/26/06/562732606.db2.gz	MSRYWWJYSKNUKR-XGYOZOOXSA-N	-1	3	608.860	8.775	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(-c2nnn[n-]2)c1	ZINC000073196480	562735134	/nfs/dbraw/zinc/73/51/34/562735134.db2.gz	BGFOUGOFRJFRIR-JAIQZWGSSA-N	-1	3	526.569	5.699	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(-c2nn[n-]n2)c1	ZINC000073196480	562735135	/nfs/dbraw/zinc/73/51/35/562735135.db2.gz	BGFOUGOFRJFRIR-JAIQZWGSSA-N	-1	3	526.569	5.699	1	10		KKCFHM
CCCCc1nc(C(=O)OCCCc2ccc(O)c(O)c2)c(Cl)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000073292964	562737533	/nfs/dbraw/zinc/73/75/33/562737533.db2.gz	XKNPXPODBNQJRZ-UHFFFAOYSA-N	-1	3	587.080	5.975	1	10		KKCFHM
CCCCc1nc(C(=O)OCCCc2ccc(O)c(O)c2)c(Cl)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000073292964	562737534	/nfs/dbraw/zinc/73/75/34/562737534.db2.gz	XKNPXPODBNQJRZ-UHFFFAOYSA-N	-1	3	587.080	5.975	1	10		KKCFHM
COc1cc2nc(-c3cccs3)nc(N3c4ccccc4C(=O)NN=C3c3ccc([O-])cc3)c2cc1OC	ZINC000073313744	562737972	/nfs/dbraw/zinc/73/79/72/562737972.db2.gz	NPWWVXMIBUVTPP-UHFFFAOYSA-N	-1	3	523.574	5.324	1	10		KKCFHM
C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O	ZINC000082181683	562741859	/nfs/dbraw/zinc/74/18/59/562741859.db2.gz	FGTVZROOHPSJNZ-IUQSFLKMSA-N	-1	3	730.855	5.249	1	10	in-vitro	KKCFHM
COc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)c([O-])c1	ZINC000095570779	562768532	/nfs/dbraw/zinc/76/85/32/562768532.db2.gz	KOYUSQKPNMWLLG-JOCHJYFZSA-N	-1	3	564.988	6.087	1	10		KKCFHM
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c([O-])c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000095615808	562787545	/nfs/dbraw/zinc/78/75/45/562787545.db2.gz	XBKPGLRBLZRDOV-CYJAXVJWSA-N	-1	3	803.946	5.748	1	10		KKCFHM
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c([O-])c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O	ZINC000095615808	562787546	/nfs/dbraw/zinc/78/75/46/562787546.db2.gz	XBKPGLRBLZRDOV-CYJAXVJWSA-N	-1	3	803.946	5.748	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582860	562845605	/nfs/dbraw/zinc/84/56/05/562845605.db2.gz	VIGKDECOPUEODR-WOGQQFDQSA-N	-1	3	657.130	6.426	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1F	ZINC000169326993	562858002	/nfs/dbraw/zinc/85/80/02/562858002.db2.gz	SSNINDYYVBJJML-HJWYETAXSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000169327041	562858008	/nfs/dbraw/zinc/85/80/08/562858008.db2.gz	XKVIREVAZLSBIJ-UULLZXFKSA-N	-1	3	537.505	5.016	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(C)cc1	ZINC000169331588	562859036	/nfs/dbraw/zinc/85/90/36/562859036.db2.gz	CGWDHSCPEVPKGI-LBEKAKSKSA-N	-1	3	551.532	5.324	1	10		KKCFHM
Cc1c(=O)[n-]c(N(C)Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1Cc1c(Cl)cccc1Cl	ZINC000653739187	562910039	/nfs/dbraw/zinc/91/00/39/562910039.db2.gz	ULXYGMFHKFIKQV-UHFFFAOYSA-N	-1	3	572.537	6.082	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1	ZINC000002935902	561681127	/nfs/dbraw/zinc/68/11/27/561681127.db2.gz	SHWUOIMPXWMTID-CVDCTZTESA-N	-1	3	503.755	5.650	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1	ZINC000002935900	561681148	/nfs/dbraw/zinc/68/11/48/561681148.db2.gz	SHWUOIMPXWMTID-WMZHIEFXSA-N	-1	3	503.755	5.650	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cc(Br)ccc2F)N1	ZINC000002936341	561681317	/nfs/dbraw/zinc/68/13/17/561681317.db2.gz	UURLLHBJUTYWQS-CVDCTZTESA-N	-1	3	503.755	5.650	1	10		KKCFHM
O=C([O-])CCCCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc43)cc2)cc1	ZINC000026937314	561827657	/nfs/dbraw/zinc/82/76/57/561827657.db2.gz	UNMPTUQWGXCWCY-UHFFFAOYSA-N	-1	3	518.617	7.963	1	10		KKCFHM
CCCCc1nc(Cl)c(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000049694967	562670031	/nfs/dbraw/zinc/67/00/31/562670031.db2.gz	JNLSCNVEDXJZER-UHFFFAOYSA-N	-1	3	587.080	5.862	1	10		KKCFHM
CCCCc1nc(Cl)c(COC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000049694967	562670032	/nfs/dbraw/zinc/67/00/32/562670032.db2.gz	JNLSCNVEDXJZER-UHFFFAOYSA-N	-1	3	587.080	5.862	1	10		KKCFHM
CCCCc1nc(Cl)c([C@H]2CC(c3cc(Cl)c(C)cc3[O-])=NN2c2nc(-c3ccc(Cl)cc3)cs2)[nH]1	ZINC000049781077	562682609	/nfs/dbraw/zinc/68/26/09/562682609.db2.gz	ZMEKGJVRFLJHIZ-OAQYLSRUSA-N	-1	3	560.938	8.206	1	10		KKCFHM
C/C=C\[C@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000095543517	562757331	/nfs/dbraw/zinc/75/73/31/562757331.db2.gz	BQCHGWYGWQEMTJ-JKJJOGQOSA-N	-1	3	772.892	5.015	1	10		KKCFHM
C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000095543515	562757333	/nfs/dbraw/zinc/75/73/33/562757333.db2.gz	BQCHGWYGWQEMTJ-HDFQTHIKSA-N	-1	3	772.892	5.015	1	10		KKCFHM
C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000095543516	562757349	/nfs/dbraw/zinc/75/73/49/562757349.db2.gz	BQCHGWYGWQEMTJ-KGQOJWLRSA-N	-1	3	772.892	5.015	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Cl)c1	ZINC000169326976	562857952	/nfs/dbraw/zinc/85/79/52/562857952.db2.gz	TURUXYRZXZQFMF-OLRZCDJHSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc2ccccc21	ZINC000169327047	562857958	/nfs/dbraw/zinc/85/79/58/562857958.db2.gz	IFYHDNAFNWCGPV-AYLZSAKASA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1	ZINC000169327031	562857983	/nfs/dbraw/zinc/85/79/83/562857983.db2.gz	WDYIUGPZBKYXEJ-JWRCQZCYSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000169327045	562858014	/nfs/dbraw/zinc/85/80/14/562858014.db2.gz	XKVIREVAZLSBIJ-HPGBDJQBSA-N	-1	3	537.505	5.016	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(C)c1	ZINC000169327068	562858068	/nfs/dbraw/zinc/85/80/68/562858068.db2.gz	PUZAGNJBSXUXEW-RBSBEOHCSA-N	-1	3	551.532	5.324	1	10		KKCFHM
COc1ccc([C@@H](Nc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2[O-])c(OC)c1OC	ZINC000203772047	562874080	/nfs/dbraw/zinc/87/40/80/562874080.db2.gz	OYGCVJIFXAIWEU-NRFANRHFSA-N	-1	3	500.382	6.178	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1	ZINC000002934360	561681186	/nfs/dbraw/zinc/68/11/86/561681186.db2.gz	UDFHQOOPLNZWLW-CVDCTZTESA-N	-1	3	530.216	5.620	1	10		KKCFHM
COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2[O-])N1	ZINC000002935891	561681205	/nfs/dbraw/zinc/68/12/05/561681205.db2.gz	GWUPKQQJJRUFIC-YADARESESA-N	-1	3	515.791	5.519	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cc(Br)ccc2F)N1	ZINC000002936339	561681281	/nfs/dbraw/zinc/68/12/81/561681281.db2.gz	UURLLHBJUTYWQS-XXBNENTESA-N	-1	3	503.755	5.650	1	10		KKCFHM
[O-]c1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cc(Br)ccc2F)N1	ZINC000002936334	561681284	/nfs/dbraw/zinc/68/12/84/561681284.db2.gz	UURLLHBJUTYWQS-AUSIDOKSSA-N	-1	3	503.755	5.650	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1	ZINC000002935906	561681329	/nfs/dbraw/zinc/68/13/29/561681329.db2.gz	QCLDDWCFAWESIF-WMZHIEFXSA-N	-1	3	548.206	5.759	1	10		KKCFHM
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(OC[C@@H]4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1	ZINC000026388984	561785219	/nfs/dbraw/zinc/78/52/19/561785219.db2.gz	PBDUGJXIYQGSPE-YTTGMZPUSA-N	-1	3	644.794	6.533	1	10		KKCFHM
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCOC(=O)c1cc(O)c([O-])c(O)c1	ZINC000026504767	561796243	/nfs/dbraw/zinc/79/62/43/561796243.db2.gz	WFMWBMYZSQXRRK-CQNOQWDGSA-N	-1	3	538.769	9.613	1	10		KKCFHM
COC(=O)[C@@H](NCc1cc2ccccc2c(-c2c(O)c(CN[C@H](C(=O)OC)C(C)C)cc3ccccc32)c1[O-])C(C)C	ZINC000028861956	561971810	/nfs/dbraw/zinc/97/18/10/561971810.db2.gz	HOTJVCIZZQAYQZ-KYJUHHDHSA-N	-1	3	572.702	5.646	1	10		KKCFHM
COc1ccc(CN(CCc2ccccc2)Cc2c([O-])ccc3c(=O)cc(/C=C/c4ccccc4)oc32)cc1	ZINC000035048754	562044483	/nfs/dbraw/zinc/04/44/83/562044483.db2.gz	PAJLHKXXTQEPAK-SFQUDFHCSA-N	-1	3	517.625	6.923	1	10		KKCFHM
Cc1cc(OCC(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040933887	562084604	/nfs/dbraw/zinc/08/46/04/562084604.db2.gz	UAXMKKYXZZBCAQ-QHCPKHFHSA-N	-1	3	512.349	5.748	1	10		KKCFHM
COc1ccc([C@@H](NC(=O)COc2ccc(Oc3ccccc3)cc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000049867330	562689455	/nfs/dbraw/zinc/68/94/55/562689455.db2.gz	GDWYSXVODJRTDX-GDLZYMKVSA-N	-1	3	541.003	6.679	1	10		KKCFHM
COc1cc(-c2nnc(Cn3c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)c3-c3ccccc3)o2)ccc1[O-]	ZINC000066074693	562709904	/nfs/dbraw/zinc/70/99/04/562709904.db2.gz	OHBZSUKGSKLEPL-UHFFFAOYSA-N	-1	3	542.639	7.368	1	10		KKCFHM
O=C1C(=Cc2ccc(-c3ccc(Cl)c(-c4nnn[n-]4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000066104046	562711626	/nfs/dbraw/zinc/71/16/26/562711626.db2.gz	JEFNMFHMWNSJOY-ZDLGFXPLSA-N	-1	3	533.944	6.205	1	10		KKCFHM
O=C1C(=Cc2ccc(-c3ccc(Cl)c(-c4nn[n-]n4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	ZINC000066104046	562711627	/nfs/dbraw/zinc/71/16/27/562711627.db2.gz	JEFNMFHMWNSJOY-ZDLGFXPLSA-N	-1	3	533.944	6.205	1	10		KKCFHM
CCCCc1nc(Cl)c(CNC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000073275502	562737242	/nfs/dbraw/zinc/73/72/42/562737242.db2.gz	HITALNRBRWCRJO-UHFFFAOYSA-N	-1	3	586.096	5.435	1	10		KKCFHM
CCCCc1nc(Cl)c(CNC(=O)CCc2ccc(O)c(O)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000073275502	562737243	/nfs/dbraw/zinc/73/72/43/562737243.db2.gz	HITALNRBRWCRJO-UHFFFAOYSA-N	-1	3	586.096	5.435	1	10		KKCFHM
[O-]c1cc(F)c(CN2CCN(c3ccc(Cl)cc3)CC2)cc1CN1CCN(c2ccc(Cl)cc2)CC1	ZINC000096903334	562797913	/nfs/dbraw/zinc/79/79/13/562797913.db2.gz	MRQKYKRXBVKEBG-UHFFFAOYSA-N	-1	3	529.487	5.483	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582850	562845616	/nfs/dbraw/zinc/84/56/16/562845616.db2.gz	VIGKDECOPUEODR-PRDAIKMNSA-N	-1	3	657.130	6.426	1	10		KKCFHM
CC1=NN(c2cccc(Cl)c2)C(=O)C1=Cc1cn(CCCCOc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12	ZINC000150594848	562846562	/nfs/dbraw/zinc/84/65/62/562846562.db2.gz	XTMTYXNBYYKMPE-MNBJERMJSA-N	-1	3	644.127	8.439	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(OC)cc1	ZINC000169327033	562857962	/nfs/dbraw/zinc/85/79/62/562857962.db2.gz	WDYIUGPZBKYXEJ-SFNQZPIRSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(OC)c1	ZINC000169327018	562857975	/nfs/dbraw/zinc/85/79/75/562857975.db2.gz	LSQRPXQGVJTODR-CQGGRAHPSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1	ZINC000169331348	562858999	/nfs/dbraw/zinc/85/89/99/562858999.db2.gz	WMQNMIIKEGBYTM-OLRZCDJHSA-N	-1	3	571.950	5.669	1	10		KKCFHM
COc1cc2c3c(-c4ccc(O)c(OC)c4)c4c5cc(OC)c([O-])c(C[NH+](C)C)c5ccn4c3c(=O)oc2cc1[O-]	ZINC000299823468	562882883	/nfs/dbraw/zinc/88/28/83/562882883.db2.gz	GPLLXADEERIILA-UHFFFAOYSA-N	-1	3	556.571	5.223	1	10		KKCFHM
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3cc(OC[C@H]4NCCc5cc(O)c(O)cc54)ccc3c2)cc1	ZINC000026385401	561784218	/nfs/dbraw/zinc/78/42/18/561784218.db2.gz	GDXZPGVRXBBEKQ-SSEXGKCCSA-N	-1	3	618.756	6.019	1	10		KKCFHM
Cc1ccc(C2(O)CCN(Cc3cc(CN4CCC(O)(c5ccc(C)cc5)CC4)c(F)cc3[O-])CC2)cc1	ZINC000027850235	561885935	/nfs/dbraw/zinc/88/59/35/561885935.db2.gz	ICKVAZAALVVVGV-UHFFFAOYSA-N	-1	3	518.673	5.115	1	10		KKCFHM
CC(=O)Nc1ccc(OCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000040913509	562083622	/nfs/dbraw/zinc/08/36/22/562083622.db2.gz	LAWBPUSHCLQFNV-XMMPIXPASA-N	-1	3	510.377	5.490	1	10		KKCFHM
CC(=O)Nc1ccc(OCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000040913507	562083675	/nfs/dbraw/zinc/08/36/75/562083675.db2.gz	LAWBPUSHCLQFNV-DEOSSOPVSA-N	-1	3	510.377	5.490	1	10		KKCFHM
Cc1cc(NCC(=O)N[C@@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040934206	562084714	/nfs/dbraw/zinc/08/47/14/562084714.db2.gz	BBHAKIOFIDQBQC-QHCPKHFHSA-N	-1	3	500.813	6.527	1	10		KKCFHM
Cc1cc(NCC(=O)N[C@H](c2ccccc2Cl)c2cc(Cl)c3cccnc3c2[O-])ccc1Cl	ZINC000040934207	562084751	/nfs/dbraw/zinc/08/47/51/562084751.db2.gz	BBHAKIOFIDQBQC-HSZRJFAPSA-N	-1	3	500.813	6.527	1	10		KKCFHM
CC(C)=CC(=O)Oc1c(O)c2c(cc1C(C)C)CC[C@@]1(C)[C@H]2CCC[C@]1(C)COC(=O)c1ccc([O-])c(O)c1	ZINC000095914454	560055760	/nfs/dbraw/zinc/05/57/60/560055760.db2.gz	ZPHWSQRWHVOTJP-IKZDWWSZSA-N	-1	3	536.665	6.882	1	10	biogenic,in-vitro	KKCFHM
Cc1cc([O-])c(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(N4CCOCC4)cc3)C2)cc1Cl	ZINC000049035682	562663561	/nfs/dbraw/zinc/66/35/61/562663561.db2.gz	IFOWDVPPOCACJB-VWLOTQADSA-N	-1	3	507.059	5.739	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(-c2nnn[n-]2)c1	ZINC000073165294	562734387	/nfs/dbraw/zinc/73/43/87/562734387.db2.gz	AMZKOFBVRYRJBH-NDENLUEZSA-N	-1	3	537.468	5.443	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(-c2nn[n-]n2)c1	ZINC000073165294	562734388	/nfs/dbraw/zinc/73/43/88/562734388.db2.gz	AMZKOFBVRYRJBH-NDENLUEZSA-N	-1	3	537.468	5.443	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(-c2nnn[n-]2)c1	ZINC000073169457	562734830	/nfs/dbraw/zinc/73/48/30/562734830.db2.gz	SASCJSPBSPAWCK-JAIQZWGSSA-N	-1	3	537.468	5.443	1	10		KKCFHM
Cc1cc(C=C2SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(-c2nn[n-]n2)c1	ZINC000073169457	562734831	/nfs/dbraw/zinc/73/48/31/562734831.db2.gz	SASCJSPBSPAWCK-JAIQZWGSSA-N	-1	3	537.468	5.443	1	10		KKCFHM
Cc1ccc(S(=O)(=O)N(CCNC(=O)c2cccc(O)c2[O-])c2cc3c4c(c2)Oc2cccc5c2C4(C)c2c(cccc2O3)O5)cc1	ZINC000082174778	562741574	/nfs/dbraw/zinc/74/15/74/562741574.db2.gz	HLYGEERGAYZBBH-UHFFFAOYSA-N	-1	3	648.693	6.703	1	10		KKCFHM
O=C(NCCCCCCCCCCNc1c2ccc(Cl)cc2nc2c1CCCC2)c1cc(=O)c2cc(O)c([O-])cc2o1	ZINC000084633300	562745702	/nfs/dbraw/zinc/74/57/02/562745702.db2.gz	VNWJCXLTKRADKP-UHFFFAOYSA-N	-1	3	592.136	7.247	1	10		KKCFHM
Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)cc3[O-])NC1=O)O2	ZINC000150582233	562845532	/nfs/dbraw/zinc/84/55/32/562845532.db2.gz	JIXCEOPOYUFFSV-DWEWYUIOSA-N	-1	3	640.675	5.912	1	10		KKCFHM
COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1F	ZINC000150603830	562847491	/nfs/dbraw/zinc/84/74/91/562847491.db2.gz	MSQYLNJZSXKBIN-HPNDGRJYSA-N	-1	3	668.726	5.078	1	10		KKCFHM
COc1cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Oc4ccnc5cc(OCCCN6CCN(C)CC6)c(OC)cc54)c(F)c3)C2=O)c(OC)cc1Cl	ZINC000150604229	562847612	/nfs/dbraw/zinc/84/76/12/562847612.db2.gz	XLHAOAUORLHVRO-DARPEHSRSA-N	-1	3	749.196	5.441	1	10		KKCFHM
COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3F)C2=O)cc1F	ZINC000150604214	562847617	/nfs/dbraw/zinc/84/76/17/562847617.db2.gz	RHUAFKWPDLSXRB-HIXSDJFHSA-N	-1	3	690.679	5.048	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1	ZINC000169326983	562857937	/nfs/dbraw/zinc/85/79/37/562857937.db2.gz	WJNWVMFWFDUGOS-HJWYETAXSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(Cl)c1	ZINC000169326969	562857943	/nfs/dbraw/zinc/85/79/43/562857943.db2.gz	TURUXYRZXZQFMF-WVDZOPJMSA-N	-1	3	571.950	5.669	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(F)cc1	ZINC000169326988	562858006	/nfs/dbraw/zinc/85/80/06/562858006.db2.gz	WJNWVMFWFDUGOS-OLRZCDJHSA-N	-1	3	555.495	5.155	1	10		KKCFHM
CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1cnc(Cl)cn1)c(F)cc2[O-]	ZINC000299827266	562884097	/nfs/dbraw/zinc/88/40/97/562884097.db2.gz	VYUFMSAVMLCEQU-UHFFFAOYSA-N	-1	3	587.961	7.614	1	10		KKCFHM
[O-]c1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1	ZINC000002934356	561681155	/nfs/dbraw/zinc/68/11/55/561681155.db2.gz	UDFHQOOPLNZWLW-XXBNENTESA-N	-1	3	530.216	5.620	1	10		KKCFHM
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC[C@@H]4NCCc5cc(O)c(O)cc54)cc3)c2)cc1	ZINC000026385080	561784098	/nfs/dbraw/zinc/78/40/98/561784098.db2.gz	XGBKDGIMRVZUCW-YTTGMZPUSA-N	-1	3	644.794	6.533	1	10		KKCFHM
[O-]c1cc(F)c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1CN1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000027872695	561888377	/nfs/dbraw/zinc/88/83/77/561888377.db2.gz	ZPCXTAVPEOSBHT-UHFFFAOYSA-N	-1	3	559.509	5.805	1	10		KKCFHM
COc1cc([C@@H](Cc2cccc(Oc3c([O-])cccc3CCc3ccc(O)cc3)c2)OC)cc(O)c1O	ZINC000014636019	560223367	/nfs/dbraw/zinc/22/33/67/560223367.db2.gz	ZEFQIOKOILPWNA-HHHXNRCGSA-N	-1	3	502.563	6.025	1	10	biogenic,in-vitro	KKCFHM
COc1cc(C(c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)ccc1[O-]	ZINC000058591912	562700554	/nfs/dbraw/zinc/70/05/54/562700554.db2.gz	OICLZKKOZUJQMW-UHFFFAOYSA-N	-1	3	722.834	9.704	1	10		KKCFHM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)NCCN(C)C)cccc43)cc2)n1	ZINC000073241238	562736933	/nfs/dbraw/zinc/73/69/33/562736933.db2.gz	ZCFBPOGNDPZKBT-UHFFFAOYSA-N	-1	3	604.136	5.284	1	10		KKCFHM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)n1	ZINC000082182194	562742162	/nfs/dbraw/zinc/74/21/62/562742162.db2.gz	MAPBZANUHODCPE-UHFFFAOYSA-N	-1	3	653.746	5.239	1	10		KKCFHM
C/C=C\[C@@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c([O-])c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O	ZINC000095543518	562757306	/nfs/dbraw/zinc/75/73/06/562757306.db2.gz	BQCHGWYGWQEMTJ-OSRQOXHGSA-N	-1	3	772.892	5.015	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(OC)c1	ZINC000169327026	562857985	/nfs/dbraw/zinc/85/79/85/562857985.db2.gz	LSQRPXQGVJTODR-ADKRDUOOSA-N	-1	3	567.531	5.025	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc(C)c1	ZINC000169327065	562858046	/nfs/dbraw/zinc/85/80/46/562858046.db2.gz	PUZAGNJBSXUXEW-LDLUVENISA-N	-1	3	551.532	5.324	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1cccc2ccccc21	ZINC000169327052	562858057	/nfs/dbraw/zinc/85/80/57/562858057.db2.gz	IFYHDNAFNWCGPV-GTJUCTONSA-N	-1	3	587.565	6.169	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000169330532	562858739	/nfs/dbraw/zinc/85/87/39/562858739.db2.gz	ABZVKOURCAHCGJ-HHHXNRCGSA-N	-1	3	602.374	5.390	1	10		KKCFHM
CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccccc1Br	ZINC000169331336	562858941	/nfs/dbraw/zinc/85/89/41/562858941.db2.gz	ULKSZVFXGSMZGC-WVDZOPJMSA-N	-1	3	616.401	5.779	1	10		KKCFHM
CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1[O-])C(=O)c1ccccc1C2=O)c1ccc(Br)cc1	ZINC000169331334	562858943	/nfs/dbraw/zinc/85/89/43/562858943.db2.gz	IOTIFNDRCHVNBK-OLRZCDJHSA-N	-1	3	616.401	5.779	1	10		KKCFHM
COc1cc([C@@H](Nc2nc3c(cccc3Cl)s2)c2c([O-])ccc3ccccc32)cc(OC)c1OC	ZINC000169352038	562863036	/nfs/dbraw/zinc/86/30/36/562863036.db2.gz	ZYSZVKSFJNBQNT-XMMPIXPASA-N	-1	3	507.011	7.036	1	10		KKCFHM
COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OC(=O)c4cc(O)c([O-])c(O)c4)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O	ZINC000653803780	562913547	/nfs/dbraw/zinc/91/35/47/562913547.db2.gz	YIBPTDKKCLTAEI-IILBSQKWSA-N	-1	3	690.701	6.545	1	10		KKCFHM
CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccccc3[O-])SC2=S)cc1	ZINC000653856988	562915792	/nfs/dbraw/zinc/91/57/92/562915792.db2.gz	FROJHKHXJZYFHX-NAZSJVEXSA-N	-1	3	515.616	5.375	1	10		KKCFHM