smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc21	ZINC000003587853	562927255	/nfs/dbraw/zinc/92/72/55/562927255.db2.gz	RNVXFIHVBGUSFZ-HNNXBMFYSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cc1cccc2nc(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)[nH]c21	ZINC000003587853	562927256	/nfs/dbraw/zinc/92/72/56/562927256.db2.gz	RNVXFIHVBGUSFZ-HNNXBMFYSA-N	-3	3	471.410	1.710	1	0		JDAFHL
O=CN([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O	ZINC000003821449	562929287	/nfs/dbraw/zinc/92/92/87/562929287.db2.gz	BMRLLUBOZMRUIK-PNJWGLBASA-N	-2	3	479.533	1.941	1	0		JDAFHL
C[C@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])c2n1C	ZINC000013860222	563001931	/nfs/dbraw/zinc/00/19/31/563001931.db2.gz	FESQCMADYYULGP-BZNIZROVSA-N	-3	3	471.410	1.962	1	0		JDAFHL
C[C@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2n1C	ZINC000013860215	563001961	/nfs/dbraw/zinc/00/19/61/563001961.db2.gz	MXDHXCGIJTWSKJ-ZWNOBZJWSA-N	-3	3	499.420	1.762	1	0		JDAFHL
C[C@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc2n1C	ZINC000013860220	563001978	/nfs/dbraw/zinc/00/19/78/563001978.db2.gz	ZVNJVQNMVGIIHK-BDJLRTHQSA-N	-3	3	471.410	1.962	1	0		JDAFHL
Cn1c(Cc2nc3cc(O)ccc3[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860251	563001999	/nfs/dbraw/zinc/00/19/99/563001999.db2.gz	HGTFAIYZZVFMNW-OAHLLOKOSA-N	-3	3	473.382	1.107	1	0		JDAFHL
COc1cccc([N-]S(=O)(=O)c2ccc3[n-]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)c1	ZINC000020727174	563016452	/nfs/dbraw/zinc/01/64/52/563016452.db2.gz	BXLRDCYSNMMGSD-UHFFFAOYSA-N	-2	3	486.550	1.400	3	0		JDAFHL
COc1cccc([N-]S(=O)(=O)c2ccc3ncc(C(=O)NCCN4CCOCC4)c([O-])c3c2)c1	ZINC000020727174	563016454	/nfs/dbraw/zinc/01/64/54/563016454.db2.gz	BXLRDCYSNMMGSD-UHFFFAOYSA-N	-2	3	486.550	1.400	3	0		JDAFHL
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NCP(=O)([O-])[O-]	ZINC000026649785	563032111	/nfs/dbraw/zinc/03/21/11/563032111.db2.gz	LXMRJGDZPNJAFZ-PMACEKPBSA-N	-3	3	472.438	1.525	1	0		JDAFHL
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NCP(=O)([O-])[O-]	ZINC000026649785	563032112	/nfs/dbraw/zinc/03/21/12/563032112.db2.gz	LXMRJGDZPNJAFZ-PMACEKPBSA-N	-3	3	472.438	1.525	1	0		JDAFHL
Nc1nc2c(c(=O)[n-]1)C[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000027100906	563039921	/nfs/dbraw/zinc/03/99/21/563039921.db2.gz	GFHUCCQIBDDMRG-CZUORRHYSA-N	-3	3	457.487	1.007	1	0		JDAFHL
Nc1nc2c(c(=O)[n-]1)C[C@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000027100912	563039964	/nfs/dbraw/zinc/03/99/64/563039964.db2.gz	GFHUCCQIBDDMRG-XJKSGUPXSA-N	-3	3	457.487	1.007	1	0		JDAFHL
O=C([O-])CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)CP(=O)([O-])[O-]	ZINC000027620831	563047258	/nfs/dbraw/zinc/04/72/58/563047258.db2.gz	KSMRYGYJCPJIEJ-KRWDZBQOSA-N	-3	3	455.425	1.406	1	0		JDAFHL
COc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[n-]1	ZINC000027652501	563048859	/nfs/dbraw/zinc/04/88/59/563048859.db2.gz	IVCBLBWUFFKBKZ-SFHVURJKSA-N	-3	3	468.466	1.616	1	0		JDAFHL
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)P(=O)([O-])[O-]	ZINC000029047957	563092591	/nfs/dbraw/zinc/09/25/91/563092591.db2.gz	OOHHTYUAWYIPAM-LYARXQMPSA-N	-2	3	493.497	1.361	1	0		JDAFHL
CC(C)C[C@H](NC(=O)N[C@@H](Cc1ccc([O-])c(I)c1)C(=O)[O-])C(=O)[O-]	ZINC000045394263	563195255	/nfs/dbraw/zinc/19/52/55/563195255.db2.gz	XZRCMEYKRXIALC-RYUDHWBXSA-N	-3	3	464.256	1.791	1	0		JDAFHL
O=P([O-])([O-])C(CCCCOc1nonc1S(=O)(=O)c1ccccc1)P(=O)([O-])[O-]	ZINC000049069681	563201110	/nfs/dbraw/zinc/20/11/10/563201110.db2.gz	MMZZEFWKJCYZRC-UHFFFAOYSA-N	-4	3	456.306	1.133	1	0		JDAFHL
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@H]1CNc2nc(N)[n-]c(=O)c2N1	ZINC000253848746	581097774	/nfs/dbraw/zinc/09/77/74/581097774.db2.gz	BEYZYYLWBYDYNB-BYCMXARLSA-N	-3	3	472.502	1.287	1	0		JDAFHL
C[C@H]1c2c(=O)[n-]c(N)nc2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258169	581097843	/nfs/dbraw/zinc/09/78/43/581097843.db2.gz	CJYJOFHMOJCKDH-DFBGVHRSSA-N	-3	3	457.487	1.178	1	0		JDAFHL
COc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc21	ZINC000003587796	562927246	/nfs/dbraw/zinc/92/72/46/562927246.db2.gz	KZHDFEYBWTZJGE-AWEZNQCLSA-N	-3	3	487.409	1.410	1	0		JDAFHL
O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)C[C@@H]1CCc2ccccc21	ZINC000013589599	562978133	/nfs/dbraw/zinc/97/81/33/562978133.db2.gz	WDGWARWRMAFMHJ-AZUAARDMSA-N	-2	3	474.535	1.975	1	0		JDAFHL
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)N[C@@H](C(C)C)P(=O)([O-])[O-]	ZINC000013733532	562985714	/nfs/dbraw/zinc/98/57/14/562985714.db2.gz	WECSUDLXQSZWSU-BBTUJRGHSA-N	-2	3	457.508	1.633	1	0		JDAFHL
Cn1c(Cc2nc3cc(F)ccc3[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860234	563001892	/nfs/dbraw/zinc/00/18/92/563001892.db2.gz	MONOMEPHEGXJGU-OAHLLOKOSA-N	-3	3	475.373	1.540	1	0		JDAFHL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc2n1C	ZINC000013860219	563001972	/nfs/dbraw/zinc/00/19/72/563001972.db2.gz	ZVNJVQNMVGIIHK-MEDUHNTESA-N	-3	3	471.410	1.962	1	0		JDAFHL
C[C@@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2n1C	ZINC000013860216	563002005	/nfs/dbraw/zinc/00/20/05/563002005.db2.gz	MXDHXCGIJTWSKJ-GWCFXTLKSA-N	-3	3	499.420	1.762	1	0		JDAFHL
C[C@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])c2n1C	ZINC000013860224	563002008	/nfs/dbraw/zinc/00/20/08/563002008.db2.gz	FESQCMADYYULGP-BDJLRTHQSA-N	-3	3	471.410	1.962	1	0		JDAFHL
C[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258161	563024680	/nfs/dbraw/zinc/02/46/80/563024680.db2.gz	CJYJOFHMOJCKDH-CQDKDKBSSA-N	-3	3	457.487	1.178	1	0		JDAFHL
C[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258176	563024720	/nfs/dbraw/zinc/02/47/20/563024720.db2.gz	CJYJOFHMOJCKDH-GLQYFDAESA-N	-3	3	457.487	1.178	1	0		JDAFHL
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)([O-])[O-]	ZINC000029047955	563092622	/nfs/dbraw/zinc/09/26/22/563092622.db2.gz	OOHHTYUAWYIPAM-ZQEFQCJFSA-N	-2	3	493.497	1.361	1	0		JDAFHL
CS[C@@H](CCCc1c(N)nc(N)[n-]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000040845560	563149196	/nfs/dbraw/zinc/14/91/96/563149196.db2.gz	GEZLAVXTPLTVRU-GJZGRUSLSA-N	-3	3	477.543	1.409	1	0	in-vitro	JDAFHL
CC(=O)O[C@H]1[C@@H](O)[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1O	ZINC000040891808	563153197	/nfs/dbraw/zinc/15/31/97/563153197.db2.gz	APRVHMRKRPHQLM-NDUFOHEISA-N	-2	3	474.418	1.354	1	0	biogenic,in-vitro	JDAFHL
CC(=O)O[C@H]1[C@@H](O)[C@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)O[C@@H](C)[C@@H]1O	ZINC000040891808	563153198	/nfs/dbraw/zinc/15/31/98/563153198.db2.gz	APRVHMRKRPHQLM-NDUFOHEISA-N	-3	3	474.418	1.354	1	0	biogenic,in-vitro	JDAFHL
C[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000058587173	563207985	/nfs/dbraw/zinc/20/79/85/563207985.db2.gz	CJYJOFHMOJCKDH-TUKIKUTGSA-N	-3	3	457.487	1.178	1	0		JDAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CCC(C)C)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511733	291451589	/nfs/dbraw/zinc/45/15/89/291451589.db2.gz	XLTKBTJUTBMKEQ-VPOBKROWSA-N	-2	3	492.521	1.740	1	0	biogenic,in-vitro	JDAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511736	291451591	/nfs/dbraw/zinc/45/15/91/291451591.db2.gz	JXJDFRVDJCXSFQ-QMDPOKHVSA-N	-2	3	490.505	1.636	1	0	biogenic,in-vitro	JDAFHL
CCc1cc(CCCSc2c(N)nc(N)[n-]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000013606140	562978757	/nfs/dbraw/zinc/97/87/57/562978757.db2.gz	YBDNVGJNYGPGFB-NSHDSACASA-N	-3	3	483.572	1.743	1	0		JDAFHL
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)N[C@@H](C(C)C)P(=O)([O-])[O-]	ZINC000013733529	562985727	/nfs/dbraw/zinc/98/57/27/562985727.db2.gz	WECSUDLXQSZWSU-LVCYWYKZSA-N	-2	3	457.508	1.633	1	0		JDAFHL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])c2n1C	ZINC000013860221	563001897	/nfs/dbraw/zinc/00/18/97/563001897.db2.gz	FESQCMADYYULGP-ZBEGNZNMSA-N	-3	3	471.410	1.962	1	0		JDAFHL
Cn1c(Cc2nc3cc(O)ccc3[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860250	563001958	/nfs/dbraw/zinc/00/19/58/563001958.db2.gz	HGTFAIYZZVFMNW-HNNXBMFYSA-N	-3	3	473.382	1.107	1	0		JDAFHL
COc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc2c1	ZINC000013860252	563001983	/nfs/dbraw/zinc/00/19/83/563001983.db2.gz	WBKABXYVMIMBTM-INIZCTEOSA-N	-3	3	487.409	1.410	1	0		JDAFHL
O=C([O-])c1nc(CO)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000026377483	563026376	/nfs/dbraw/zinc/02/63/76/563026376.db2.gz	DBYJOZNUSPQPFO-UHFFFAOYSA-N	-2	3	457.450	1.994	1	0		JDAFHL
O=C([O-])c1nc(CO)nc2c1CCC(=O)N2Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000026377483	563026377	/nfs/dbraw/zinc/02/63/77/563026377.db2.gz	DBYJOZNUSPQPFO-UHFFFAOYSA-N	-2	3	457.450	1.994	1	0		JDAFHL
Cc1c2c(sc1C(=O)NCC(=O)c1ccc(OCC(=O)[O-])c(OCC(=O)[O-])c1)CCNC2	ZINC000026577549	563030763	/nfs/dbraw/zinc/03/07/63/563030763.db2.gz	RWFZWACTJSUZOO-UHFFFAOYSA-N	-2	3	462.480	1.242	1	0		JDAFHL
C[C@H](C[C@@H]1CNc2nc(N)[n-]c(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027740710	563050976	/nfs/dbraw/zinc/05/09/76/563050976.db2.gz	ISZMJIOSOYNEIB-WQGACYEGSA-N	-3	3	457.487	1.178	1	0		JDAFHL
CCC[C@@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000029405325	563102764	/nfs/dbraw/zinc/10/27/64/563102764.db2.gz	KEEVKYBRVKNTDV-QYZOEREBSA-N	-2	3	457.508	1.777	1	0		JDAFHL
CCc1c(C)c2c(c(O)c1C/C=C(\C)CN(CCP(=O)([O-])[O-])S(N)(=O)=O)C(=O)OC2	ZINC000036338581	563126362	/nfs/dbraw/zinc/12/63/62/563126362.db2.gz	KLLNSZSQJWMFKB-VZUCSPMQSA-N	-2	3	462.461	1.105	1	0		JDAFHL
Nc1cc(=O)[n-]c(-c2cc(I)c([O-])c(I)c2)n1	ZINC000040455534	563144047	/nfs/dbraw/zinc/14/40/47/563144047.db2.gz	VKPWJVJHNFHKSQ-UHFFFAOYSA-N	-2	3	454.993	1.934	1	0		JDAFHL
CC[C@H]1c2c(=O)[n-]c(N)nc2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263011	581097519	/nfs/dbraw/zinc/09/75/19/581097519.db2.gz	GOKSNIJPDRLOBQ-XHSDSOJGSA-N	-3	3	471.514	1.568	1	0		JDAFHL
Cc1cc(CCCSc2c(N)nc(N)[n-]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001539232	562920789	/nfs/dbraw/zinc/92/07/89/562920789.db2.gz	QSMJJFQXDNSFGZ-JTQLQIEISA-N	-3	3	469.545	1.077	1	0		JDAFHL
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CCCSc1c(N)nc(N)[n-]c1=O	ZINC000001539233	562920806	/nfs/dbraw/zinc/92/08/06/562920806.db2.gz	RPXDQPDLDPKBHG-VIFPVBQESA-N	-3	3	469.545	1.077	1	0		JDAFHL
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)C[C@@H]1CCc2ccccc21	ZINC000013589600	562978109	/nfs/dbraw/zinc/97/81/09/562978109.db2.gz	WDGWARWRMAFMHJ-ICSRJNTNSA-N	-2	3	474.535	1.975	1	0		JDAFHL
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)CCCc1ccccc1	ZINC000013589598	562978125	/nfs/dbraw/zinc/97/81/25/562978125.db2.gz	ALDJQKXTSWRTTG-IBGZPJMESA-N	-2	3	462.524	1.877	1	0		JDAFHL
O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)CCCc1ccccc1	ZINC000013589597	562978138	/nfs/dbraw/zinc/97/81/38/562978138.db2.gz	ALDJQKXTSWRTTG-LJQANCHMSA-N	-2	3	462.524	1.877	1	0		JDAFHL
Cc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc2c1	ZINC000013860247	563001924	/nfs/dbraw/zinc/00/19/24/563001924.db2.gz	WOXDRIMKYIYZMA-MRXNPFEDSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cc1ccc2nc(Cc3nc4ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)[nH]c2c1	ZINC000013860247	563001925	/nfs/dbraw/zinc/00/19/25/563001925.db2.gz	WOXDRIMKYIYZMA-MRXNPFEDSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cn1c(Cc2nc3c(cc(F)cc3F)[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860239	563001928	/nfs/dbraw/zinc/00/19/28/563001928.db2.gz	JNVHPQXRSAIPSE-CQSZACIVSA-N	-3	3	493.363	1.679	1	0		JDAFHL
Cn1c2cc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1[C@H](F)c1nc2ccccc2[nH]1	ZINC000013860258	563002112	/nfs/dbraw/zinc/00/21/12/563002112.db2.gz	CBYKXMCQCUOUOF-GDBMZVCRSA-N	-3	3	475.373	1.869	1	0		JDAFHL
Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860270	563002116	/nfs/dbraw/zinc/00/21/16/563002116.db2.gz	UQQBDSFNEOSSDH-OAHLLOKOSA-N	-3	3	457.383	1.401	1	0		JDAFHL
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(CC(=O)[O-])cc3)CC2)ccc1[O-]	ZINC000013862646	563003013	/nfs/dbraw/zinc/00/30/13/563003013.db2.gz	NVAVLMLMXNARGB-NRFANRHFSA-N	-2	3	463.556	1.683	1	0		JDAFHL
COc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[n-]1	ZINC000027652877	563048833	/nfs/dbraw/zinc/04/88/33/563048833.db2.gz	RSACZKLZAVXXLS-QGZVFWFLSA-N	-3	3	454.439	1.592	1	0		JDAFHL
CC[C@H]1c2c(=O)[n-]c(N)nc2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263023	581097497	/nfs/dbraw/zinc/09/74/97/581097497.db2.gz	GOKSNIJPDRLOBQ-OAGGEKHMSA-N	-3	3	471.514	1.568	1	0		JDAFHL
CC[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000261102003	581097538	/nfs/dbraw/zinc/09/75/38/581097538.db2.gz	GOKSNIJPDRLOBQ-OWCLPIDISA-N	-3	3	471.514	1.980	1	0		JDAFHL
C[C@H]1c2c(=O)[n-]c(N)nc2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026258154	581097752	/nfs/dbraw/zinc/09/77/52/581097752.db2.gz	CJYJOFHMOJCKDH-UGFHNGPFSA-N	-3	3	457.487	1.178	1	0		JDAFHL
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)N[C@H](C(C)C)P(=O)([O-])[O-]	ZINC000003794408	562928216	/nfs/dbraw/zinc/92/82/16/562928216.db2.gz	WECSUDLXQSZWSU-WFXMLNOXSA-N	-2	3	457.508	1.633	1	0		JDAFHL
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)P(=O)([O-])[O-]	ZINC000003800017	562928382	/nfs/dbraw/zinc/92/83/82/562928382.db2.gz	OFZSYHYIPZHCGN-GBESFXJTSA-N	-2	3	452.492	1.859	1	0		JDAFHL
CCC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000013733518	562985677	/nfs/dbraw/zinc/98/56/77/562985677.db2.gz	KEEVKYBRVKNTDV-FHWLQOOXSA-N	-2	3	457.508	1.777	1	0		JDAFHL
Cn1c(Cc2nc3cc(F)ccc3[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860233	563001936	/nfs/dbraw/zinc/00/19/36/563001936.db2.gz	MONOMEPHEGXJGU-HNNXBMFYSA-N	-3	3	475.373	1.540	1	0		JDAFHL
Cn1c(Cc2nc3c(ccc(F)c3F)[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860241	563001953	/nfs/dbraw/zinc/00/19/53/563001953.db2.gz	CONRXXQNDSIPIL-CYBMUJFWSA-N	-3	3	493.363	1.679	1	0		JDAFHL
Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860237	563001975	/nfs/dbraw/zinc/00/19/75/563001975.db2.gz	LJWMMWDVXSIMLZ-OAHLLOKOSA-N	-3	3	493.363	1.679	1	0		JDAFHL
Cn1c(Cc2nc3cc(F)c(F)cc3[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860236	563001994	/nfs/dbraw/zinc/00/19/94/563001994.db2.gz	LJWMMWDVXSIMLZ-HNNXBMFYSA-N	-3	3	493.363	1.679	1	0		JDAFHL
Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860269	563002057	/nfs/dbraw/zinc/00/20/57/563002057.db2.gz	UQQBDSFNEOSSDH-HNNXBMFYSA-N	-3	3	457.383	1.401	1	0		JDAFHL
COc1c(C)c2c(c(O)c1C/C=C(\C)CN(CCP(=O)([O-])[O-])S(C)(=O)=O)C(=O)OC2	ZINC000036338584	563126340	/nfs/dbraw/zinc/12/63/40/563126340.db2.gz	KTGJSHBTTVFYHP-VZUCSPMQSA-N	-2	3	463.445	1.308	1	0		JDAFHL
CCc1c(C)c2c(c(O)c1C/C=C(\C)CN(CCP(=O)([O-])[O-])S(C)(=O)=O)C(=O)OC2	ZINC000036338580	563126346	/nfs/dbraw/zinc/12/63/46/563126346.db2.gz	TUSBFZSJFOUWHP-WUXMJOGZSA-N	-2	3	461.473	1.862	1	0		JDAFHL
CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)cc1	ZINC000040395299	563139122	/nfs/dbraw/zinc/13/91/22/563139122.db2.gz	QGPZJURATJCKHO-KNRSITRYSA-N	-2	3	474.418	1.354	1	0	biogenic,in-vitro	JDAFHL
CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](C)O[C@H]1Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc([O-])cc1	ZINC000040395299	563139124	/nfs/dbraw/zinc/13/91/24/563139124.db2.gz	QGPZJURATJCKHO-KNRSITRYSA-N	-3	3	474.418	1.354	1	0	biogenic,in-vitro	JDAFHL
CS[C@H](CCCc1c(N)nc(N)[n-]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000040835251	563148952	/nfs/dbraw/zinc/14/89/52/563148952.db2.gz	GEZLAVXTPLTVRU-LSDHHAIUSA-N	-3	3	477.543	1.409	1	0	in-vitro	JDAFHL
CCN(CCN(CC)S(=O)(=O)c1cc(O)ccc1[O-])S(=O)(=O)c1cc(O)ccc1[O-]	ZINC000045358145	563192689	/nfs/dbraw/zinc/19/26/89/563192689.db2.gz	AYXXJGWJIZXSQM-UHFFFAOYSA-N	-2	3	460.530	1.230	1	0		JDAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511748	560073728	/nfs/dbraw/zinc/07/37/28/560073728.db2.gz	CXCGOPMDRMZZCE-KHYDEXNFSA-N	-2	3	476.478	1.246	1	0	biogenic,in-vitro	JDAFHL
COc1cc([O-])c2c(c1C)C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])CSC2	ZINC000013559789	562975117	/nfs/dbraw/zinc/97/51/17/562975117.db2.gz	ADRJLTLAUWIANO-STQMWFEESA-N	-2	3	484.527	1.576	1	0		JDAFHL
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](CC(C)C)N[C@H](C(C)C)P(=O)([O-])[O-]	ZINC000013733535	562985612	/nfs/dbraw/zinc/98/56/12/562985612.db2.gz	WECSUDLXQSZWSU-LQWHRVPQSA-N	-2	3	457.508	1.633	1	0		JDAFHL
CCC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000013733521	562985706	/nfs/dbraw/zinc/98/57/06/562985706.db2.gz	KEEVKYBRVKNTDV-GBESFXJTSA-N	-2	3	457.508	1.777	1	0		JDAFHL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2cccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])c2n1C	ZINC000013860223	563001903	/nfs/dbraw/zinc/00/19/03/563001903.db2.gz	FESQCMADYYULGP-MEDUHNTESA-N	-3	3	471.410	1.962	1	0		JDAFHL
COc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc21	ZINC000013860254	563001942	/nfs/dbraw/zinc/00/19/42/563001942.db2.gz	KZHDFEYBWTZJGE-CQSZACIVSA-N	-3	3	487.409	1.410	1	0		JDAFHL
Cn1c2cc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1[C@@H](F)c1nc2ccccc2[nH]1	ZINC000013860255	563001991	/nfs/dbraw/zinc/00/19/91/563001991.db2.gz	CBYKXMCQCUOUOF-HOCLYGCPSA-N	-3	3	475.373	1.869	1	0		JDAFHL
Cn1c2cc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1[C@H](F)c1nc2ccccc2[nH]1	ZINC000013860256	563002095	/nfs/dbraw/zinc/00/20/95/563002095.db2.gz	CBYKXMCQCUOUOF-GOEBONIOSA-N	-3	3	475.373	1.869	1	0		JDAFHL
CC[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263017	563024761	/nfs/dbraw/zinc/02/47/61/563024761.db2.gz	GOKSNIJPDRLOBQ-JYJNAYRXSA-N	-3	3	471.514	1.568	1	0		JDAFHL
O=C([O-])COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCCNC3)cc1OCC(=O)[O-]	ZINC000026577081	563030687	/nfs/dbraw/zinc/03/06/87/563030687.db2.gz	NPNSEDOLVQCILC-UHFFFAOYSA-N	-2	3	462.480	1.323	1	0		JDAFHL
CC(C)C[C@H](NC(=O)c1cccn1C(=O)c1cc(NC(=O)[C@H](N)CCC(=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000027419588	563043693	/nfs/dbraw/zinc/04/36/93/563043693.db2.gz	MIXWSDZOTRBHGU-CVEARBPZSA-N	-3	3	488.497	1.242	1	0		JDAFHL
O=C([O-])CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)CP(=O)([O-])[O-]	ZINC000027620827	563047275	/nfs/dbraw/zinc/04/72/75/563047275.db2.gz	KSMRYGYJCPJIEJ-QGZVFWFLSA-N	-3	3	455.425	1.406	1	0		JDAFHL
COc1nc2ccc(CN(C)c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[n-]1	ZINC000027652505	563048800	/nfs/dbraw/zinc/04/88/00/563048800.db2.gz	IVCBLBWUFFKBKZ-GOSISDBHSA-N	-3	3	468.466	1.616	1	0		JDAFHL
COc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[n-]1	ZINC000027652873	563048817	/nfs/dbraw/zinc/04/88/17/563048817.db2.gz	RSACZKLZAVXXLS-KRWDZBQOSA-N	-3	3	454.439	1.592	1	0		JDAFHL
C[C@H](C[C@H]1CNc2nc(N)[n-]c(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027740726	563050983	/nfs/dbraw/zinc/05/09/83/563050983.db2.gz	ISZMJIOSOYNEIB-HSMVNMDESA-N	-3	3	457.487	1.178	1	0		JDAFHL
CC[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000058590859	563208084	/nfs/dbraw/zinc/20/80/84/563208084.db2.gz	GOKSNIJPDRLOBQ-HRCADAONSA-N	-3	3	471.514	1.568	1	0		JDAFHL
C[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000253635146	581097755	/nfs/dbraw/zinc/09/77/55/581097755.db2.gz	CJYJOFHMOJCKDH-NILFDRSVSA-N	-3	3	457.487	1.590	1	0		JDAFHL
COc1cc(C(=O)O[C@@H]2C[C@@](O)(C(=O)[O-])C[C@@H](O)[C@@H]2OC(=O)c2ccc([O-])c(OC)c2)ccc1C	ZINC000095909911	560059353	/nfs/dbraw/zinc/05/93/53/560059353.db2.gz	YOKTXJDYMGPEIN-AYFLJRIOSA-N	-2	3	490.461	1.439	1	0	biogenic,in-vitro	JDAFHL
C[C@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc2n1C	ZINC000001905831	562924086	/nfs/dbraw/zinc/92/40/86/562924086.db2.gz	ZVNJVQNMVGIIHK-BZNIZROVSA-N	-3	3	471.410	1.962	1	0		JDAFHL
C[C@@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2n1C	ZINC000003587388	562927225	/nfs/dbraw/zinc/92/72/25/562927225.db2.gz	MXDHXCGIJTWSKJ-GXFFZTMASA-N	-3	3	499.420	1.762	1	0		JDAFHL
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)([O-])[O-]	ZINC000013369322	562962112	/nfs/dbraw/zinc/96/21/12/562962112.db2.gz	YIIMJDHGEFYSBL-GAZPGATBSA-N	-2	3	485.518	1.636	1	0		JDAFHL
CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1nc2ccccc2[nH]1)C(=O)NC)P(=O)([O-])[O-]	ZINC000013733561	562985608	/nfs/dbraw/zinc/98/56/08/562985608.db2.gz	CNLOSJCTZRXSIW-XYJFISCASA-N	-2	3	453.480	1.254	1	0		JDAFHL
Cc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc2c1	ZINC000013860246	563001913	/nfs/dbraw/zinc/00/19/13/563001913.db2.gz	WOXDRIMKYIYZMA-INIZCTEOSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cc1ccc2nc(Cc3nc4ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)[nH]c2c1	ZINC000013860246	563001915	/nfs/dbraw/zinc/00/19/15/563001915.db2.gz	WOXDRIMKYIYZMA-INIZCTEOSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cn1c2cc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1[C@@H](F)c1nc2ccccc2[nH]1	ZINC000013860257	563002067	/nfs/dbraw/zinc/00/20/67/563002067.db2.gz	CBYKXMCQCUOUOF-ZBFHGGJFSA-N	-3	3	475.373	1.869	1	0		JDAFHL
CC[C@@H]1c2c(=O)[n-]c(N)nc2NC[C@H]1CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026263030	563024822	/nfs/dbraw/zinc/02/48/22/563024822.db2.gz	GOKSNIJPDRLOBQ-PMPSAXMXSA-N	-3	3	471.514	1.568	1	0		JDAFHL
CCC[C@H](N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(=O)([O-])[O-]	ZINC000029405328	563102801	/nfs/dbraw/zinc/10/28/01/563102801.db2.gz	KEEVKYBRVKNTDV-CEXWTWQISA-N	-2	3	457.508	1.777	1	0		JDAFHL
CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](O)[C@@H]1O	ZINC000039109040	563136132	/nfs/dbraw/zinc/13/61/32/563136132.db2.gz	AGQLGMXLTFMOAP-OEHKQELHSA-N	-2	3	474.418	1.354	1	0	biogenic,in-vitro	JDAFHL
CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc([O-])cc2)[C@H](O)[C@@H]1O	ZINC000039109040	563136134	/nfs/dbraw/zinc/13/61/34/563136134.db2.gz	AGQLGMXLTFMOAP-OEHKQELHSA-N	-3	3	474.418	1.354	1	0	biogenic,in-vitro	JDAFHL
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3c(C)c4c([O-])cc([O-])cc4oc3=O)CC2)cc1	ZINC000045371670	563193784	/nfs/dbraw/zinc/19/37/84/563193784.db2.gz	QQSHQPIBVBEPGC-UHFFFAOYSA-N	-2	3	473.507	1.982	1	0		JDAFHL
C[C@H](C[C@@H]1CNc2nc(N)[n-]c(=O)c2C1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000058525424	563206893	/nfs/dbraw/zinc/20/68/93/563206893.db2.gz	ISZMJIOSOYNEIB-BFQNTYOBSA-N	-3	3	457.487	1.178	1	0		JDAFHL
C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@@H]1CNc2nc(N)[n-]c(=O)c2N1	ZINC000036348446	581097815	/nfs/dbraw/zinc/09/78/15/581097815.db2.gz	BEYZYYLWBYDYNB-NILFDRSVSA-N	-3	3	472.502	1.287	1	0		JDAFHL
COc1cc(-c2oc3cc(=O)cc([O-])c-3cc2O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1[O-]	ZINC000085511982	560073605	/nfs/dbraw/zinc/07/36/05/560073605.db2.gz	ZWAAFZOEMBEAAF-JYCIPLEDSA-O	-2	3	463.415	1.333	1	0	biogenic,in-vitro	JDAFHL
COc1cc(-c2oc3cc([O-])cc(=O)c-3cc2O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)cc(OC)c1[O-]	ZINC000085511982	560073607	/nfs/dbraw/zinc/07/36/07/560073607.db2.gz	ZWAAFZOEMBEAAF-JYCIPLEDSA-O	-2	3	463.415	1.333	1	0	biogenic,in-vitro	JDAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@H](O)CC[C@H](C)[C@]4(O)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511619	560073828	/nfs/dbraw/zinc/07/38/28/560073828.db2.gz	LSYATYIFMFOBFB-MLYIRHBPSA-N	-2	3	476.478	1.102	1	0	biogenic,in-vitro	JDAFHL
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(CCC=CO4)[C@H](O)[C@H]3O)c2c1[O-]	ZINC000085511693	560073833	/nfs/dbraw/zinc/07/38/33/560073833.db2.gz	QGDGQCOKMSMIMF-WAICWVGJSA-N	-2	3	474.462	1.635	1	0	biogenic,in-vitro	JDAFHL
Cc1cccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc21	ZINC000003587858	562927233	/nfs/dbraw/zinc/92/72/33/562927233.db2.gz	RNVXFIHVBGUSFZ-OAHLLOKOSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cc1cccc2nc(Cc3nc4ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)[nH]c21	ZINC000003587858	562927234	/nfs/dbraw/zinc/92/72/34/562927234.db2.gz	RNVXFIHVBGUSFZ-OAHLLOKOSA-N	-3	3	471.410	1.710	1	0		JDAFHL
Cc1ccccc1S(=O)(=O)[N-]C(=O)Nc1cscc1-c1nc(C(=O)[O-])c([O-])c(=O)[nH]1	ZINC000003582324	562927263	/nfs/dbraw/zinc/92/72/63/562927263.db2.gz	DJROWLQHGZHAGX-UHFFFAOYSA-N	-3	3	450.454	1.721	1	0		JDAFHL
Nc1nc(N)c(SC[C@H]2CCc3cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc3C2)c(=O)[n-]1	ZINC000008642280	562948426	/nfs/dbraw/zinc/94/84/26/562948426.db2.gz	ZGMCQEIDLHETAQ-WPRPVWTQSA-N	-3	3	481.556	1.353	1	0		JDAFHL
O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)C[C@H]1CCc2ccccc21	ZINC000013589601	562978113	/nfs/dbraw/zinc/97/81/13/562978113.db2.gz	WDGWARWRMAFMHJ-UYAOXDASSA-N	-2	3	474.535	1.975	1	0		JDAFHL
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)C[N-]S(=O)(=O)C[C@H]1CCc2ccccc21	ZINC000013589602	562978129	/nfs/dbraw/zinc/97/81/29/562978129.db2.gz	WDGWARWRMAFMHJ-QUCCMNQESA-N	-2	3	474.535	1.975	1	0		JDAFHL
Cn1c(Cc2nc3ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc3n2C)nc2ccccc21	ZINC000013860226	563001939	/nfs/dbraw/zinc/00/19/39/563001939.db2.gz	XUHPZELRFORWOX-OAHLLOKOSA-N	-3	3	471.410	1.412	1	0		JDAFHL
Cn1c(Cc2nc3c(cc(F)cc3F)[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860238	563001945	/nfs/dbraw/zinc/00/19/45/563001945.db2.gz	JNVHPQXRSAIPSE-AWEZNQCLSA-N	-3	3	493.363	1.679	1	0		JDAFHL
COc1ccc2[nH]c(Cc3nc4ccc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])cc4n3C)nc2c1	ZINC000013860253	563001950	/nfs/dbraw/zinc/00/19/50/563001950.db2.gz	WBKABXYVMIMBTM-MRXNPFEDSA-N	-3	3	487.409	1.410	1	0		JDAFHL
Cn1c(Cc2nc3c(ccc(F)c3F)[nH]2)nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc21	ZINC000013860240	563001969	/nfs/dbraw/zinc/00/19/69/563001969.db2.gz	CONRXXQNDSIPIL-ZDUSSCGKSA-N	-3	3	493.363	1.679	1	0		JDAFHL
Cn1c(Cc2nc3ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc3n2C)nc2ccccc21	ZINC000013860225	563001986	/nfs/dbraw/zinc/00/19/86/563001986.db2.gz	XUHPZELRFORWOX-HNNXBMFYSA-N	-3	3	471.410	1.412	1	0		JDAFHL
C[C@H](c1nc2cc(C(N)=O)ccc2[nH]1)c1nc2cc(C(=O)[C@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2n1C	ZINC000013860217	563002002	/nfs/dbraw/zinc/00/20/02/563002002.db2.gz	MXDHXCGIJTWSKJ-MFKMUULPSA-N	-3	3	499.420	1.762	1	0		JDAFHL
C[C@@H](c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])cc2n1C	ZINC000013860218	563002011	/nfs/dbraw/zinc/00/20/11/563002011.db2.gz	ZVNJVQNMVGIIHK-ZBEGNZNMSA-N	-3	3	471.410	1.962	1	0		JDAFHL
Cn1c2cc(C(=O)N[C@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1C(F)(F)c1nc2ccccc2[nH]1	ZINC000013860264	563002102	/nfs/dbraw/zinc/00/21/02/563002102.db2.gz	JLFYTDJGSBYOSU-CQSZACIVSA-N	-3	3	493.363	1.950	1	0		JDAFHL
Cn1c2cc(C(=O)N[C@@H](CP(=O)([O-])[O-])C(=O)[O-])ccc2nc1C(F)(F)c1nc2ccccc2[nH]1	ZINC000013860263	563002126	/nfs/dbraw/zinc/00/21/26/563002126.db2.gz	JLFYTDJGSBYOSU-AWEZNQCLSA-N	-3	3	493.363	1.950	1	0		JDAFHL
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]C2CCN(c3ccc(COCC(=O)[O-])cc3)CC2)ccc1[O-]	ZINC000013862648	563003104	/nfs/dbraw/zinc/00/31/04/563003104.db2.gz	SDGBOACSFGQGSM-QFIPXVFZSA-N	-2	3	493.582	1.657	1	0		JDAFHL
CC(C)C[C@H](NC(=O)c1cccn1C(=O)c1cc(NC(=O)[C@@H](N)CCC(=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000027419583	563043668	/nfs/dbraw/zinc/04/36/68/563043668.db2.gz	MIXWSDZOTRBHGU-HOTGVXAUSA-N	-3	3	488.497	1.242	1	0		JDAFHL
CC[C@H](C[C@@H]1CNc2nc(N)[n-]c(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027739746	563050972	/nfs/dbraw/zinc/05/09/72/563050972.db2.gz	QOBQCACCWAZPBR-AHIWAGSCSA-N	-3	3	471.514	1.568	1	0		JDAFHL
CC[C@H](C[C@H]1CNc2nc(N)[n-]c(=O)c2C1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027739760	563050999	/nfs/dbraw/zinc/05/09/99/563050999.db2.gz	QOBQCACCWAZPBR-XNJGSVPQSA-N	-3	3	471.514	1.568	1	0		JDAFHL
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@@H]1CNc2nc(N)[n-]c(=O)c2N1	ZINC000036348449	563126443	/nfs/dbraw/zinc/12/64/43/563126443.db2.gz	BEYZYYLWBYDYNB-KCPJHIHWSA-N	-3	3	472.502	1.287	1	0		JDAFHL
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(=O)c2c([O-])cc(OC)c(F)c2[n-]1	ZINC000042990162	563163958	/nfs/dbraw/zinc/16/39/58/563163958.db2.gz	LKWWDPMXFCOTBN-UHFFFAOYSA-N	-2	3	492.529	1.778	1	0		JDAFHL