smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Cn2c3ccc(O)c(C(=O)NCCN(C)C)c3c3c2C(=O)c2ccccc2C3=O)cc(OC)c1	ZINC000001663197	561679327	/nfs/dbraw/zinc/67/93/27/561679327.db2.gz	ZRZVXPWVWQBEGS-UHFFFAOYSA-N	0	0	527.577	3.479	1	10		KGCFRN
COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C	ZINC000004213833	561694257	/nfs/dbraw/zinc/69/42/57/561694257.db2.gz	FJZWVTQJLJAQAE-UHFFFAOYSA-N	0	0	520.498	3.300	1	10		KGCFRN
NS(=O)(=O)c1ccc([N-][NH+]=c2c3ccccc3[nH]c3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc32)cc1	ZINC000005538252	561696069	/nfs/dbraw/zinc/69/60/69/561696069.db2.gz	QQSKZGNXDLBLBX-UHFFFAOYSA-N	0	0	562.633	3.374	1	10		KGCFRN
N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cccc32)cc1	ZINC000005616116	561697567	/nfs/dbraw/zinc/69/75/67/561697567.db2.gz	BIFKEVBDXHVADK-UHFFFAOYSA-N	0	0	589.659	3.203	1	10		KGCFRN
N=C(N)NS(=O)(=O)c1ccc(NC(=O)c2cccc3c2nc2ccccc2c3Nc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000005616118	561697541	/nfs/dbraw/zinc/69/75/41/561697541.db2.gz	RPCJUOFIXNSZBX-UHFFFAOYSA-N	0	0	589.659	3.203	1	10		KGCFRN
CCC1(CC)C(=O)N(C(=O)c2cc(OC)c(OC)c(OC)c2)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000005822777	561698780	/nfs/dbraw/zinc/69/87/80/561698780.db2.gz	CZOBBLJJGIZKRW-UHFFFAOYSA-N	0	0	544.557	3.111	1	10		KGCFRN
COC(=O)CCC1(CCC(=O)OC)CCCCCCC(CCC(=O)OC)(CCC(=O)OC)C(=O)C1=O	ZINC000005955685	561700605	/nfs/dbraw/zinc/70/06/05/561700605.db2.gz	GAYHADIMVMIULI-UHFFFAOYSA-N	0	0	512.596	3.264	1	10		KGCFRN
CCCCC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C	ZINC000013527995	561717436	/nfs/dbraw/zinc/71/74/36/561717436.db2.gz	DVGSADHIMJFYEW-XWGVYQGASA-N	0	0	515.651	3.398	1	10		KGCFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1	ZINC000013674890	561723923	/nfs/dbraw/zinc/72/39/23/561723923.db2.gz	LGSQMQXVZATRBF-ZONZVBGPSA-N	0	0	504.675	3.475	1	10		KGCFRN
CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@H](C(=O)NC(C)C)c1ccc(N(C)C)cc1	ZINC000013674905	561724018	/nfs/dbraw/zinc/72/40/18/561724018.db2.gz	LGSQMQXVZATRBF-PFBJBMPXSA-N	0	0	504.675	3.475	1	10		KGCFRN
Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2ccc(N)cc2)cc1	ZINC000013863962	561735265	/nfs/dbraw/zinc/73/52/65/561735265.db2.gz	ADISYWHBTGIIJN-DEOSSOPVSA-N	0	0	520.659	3.380	1	10		KGCFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000026000796	561765428	/nfs/dbraw/zinc/76/54/28/561765428.db2.gz	RNDXGSCEGMDMDE-HGVDDQHVSA-N	0	0	584.526	3.389	1	10		KGCFRN
CCCc1ccc(O[P@](=O)(N[C@H](C)C(=O)OC)OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])cc1	ZINC000026000835	561765390	/nfs/dbraw/zinc/76/53/90/561765390.db2.gz	TWAWSOJBOMOJCD-YCCXSURUSA-N	0	0	550.509	3.119	1	10		KGCFRN
CC(C)(C)NC(=O)N(Cc1cccc(O)c1O)CC(O)CN(Cc1cccc(O)c1O)C(=O)NC(C)(C)C	ZINC000026399328	561787983	/nfs/dbraw/zinc/78/79/83/561787983.db2.gz	NRVPQHJWJLMWJA-UHFFFAOYSA-N	0	0	532.638	3.190	1	10		KGCFRN
COc1cc([C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)cc(OC)c1OC	ZINC000026744632	561818687	/nfs/dbraw/zinc/81/86/87/561818687.db2.gz	ZKMQDRXQKYYRJP-CQGGRAHPSA-N	0	0	518.518	3.297	1	10		KGCFRN
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1cc(Br)ccc1O)C(C)C)C(=O)[O-]	ZINC000026826001	561822033	/nfs/dbraw/zinc/82/20/33/561822033.db2.gz	LTLQCHXZWKMIIT-FUDKSRODSA-N	0	0	580.545	3.319	1	10		KGCFRN
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(C)C)C(=O)[O-]	ZINC000026832747	561823350	/nfs/dbraw/zinc/82/33/50/561823350.db2.gz	LFGFQBDNMGFGPF-FUDKSRODSA-N	0	0	536.094	3.210	1	10		KGCFRN
CCOC(=O)C(=O)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000027077573	561834468	/nfs/dbraw/zinc/83/44/68/561834468.db2.gz	JDJRHUNGPNIULY-HJOGWXRNSA-N	0	0	575.703	3.091	1	10		KGCFRN
CCC1CCN(C(=O)[C@H](Cc2ccc(N)cc2)NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)CC1	ZINC000027108300	561840696	/nfs/dbraw/zinc/84/06/96/561840696.db2.gz	FWEGZZPWSOERRO-XCZPVHLTSA-N	0	0	565.740	3.218	1	10		KGCFRN
COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1OC	ZINC000027109697	561841103	/nfs/dbraw/zinc/84/11/03/561841103.db2.gz	WBYXZDYWZJXACI-XCZPVHLTSA-N	0	0	643.782	3.184	1	10		KGCFRN
CCO[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)NCCc1ccccc1	ZINC000027110054	561841322	/nfs/dbraw/zinc/84/13/22/561841322.db2.gz	OYWVDXFKMZSDKT-QKVZQFLISA-N	0	0	506.456	3.010	1	10		KGCFRN
CC(=O)N1CCN(C[C@H](Cc2ccccc2)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)CC1	ZINC000027179075	561841489	/nfs/dbraw/zinc/84/14/89/561841489.db2.gz	LBEXHCKGJPWZCK-TWJUONSBSA-N	0	0	693.890	3.339	1	10		KGCFRN
Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](COCCO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1	ZINC000027180385	561841773	/nfs/dbraw/zinc/84/17/73/561841773.db2.gz	FNIYQHSWDRRAPP-JDXGNMNLSA-N	0	0	627.783	3.184	1	10		KGCFRN
COc1ccc(C[C@@H](CO)Nc2ccncc2S(=O)(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N2CCC(CCF)CC2)cc1	ZINC000027185182	561842434	/nfs/dbraw/zinc/84/24/34/561842434.db2.gz	REIDQXWDPZHENO-WNJJXGMVSA-N	0	0	613.756	3.176	1	10		KGCFRN
Nc1ccc(C[C@H](NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1	ZINC000027185189	561842470	/nfs/dbraw/zinc/84/24/70/561842470.db2.gz	HFTNQVUNFHPBGT-XCZPVHLTSA-N	0	0	583.730	3.167	1	10		KGCFRN
[NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(O)c2)c(I)c1)C(=O)[O-]	ZINC000027618816	561872322	/nfs/dbraw/zinc/87/23/22/561872322.db2.gz	WMSXNNODTVPGDN-NSHDSACASA-N	0	0	541.079	3.054	1	10		KGCFRN
[NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(O)c2)c(I)c1)C(=O)[O-]	ZINC000027618822	561872308	/nfs/dbraw/zinc/87/23/08/561872308.db2.gz	WMSXNNODTVPGDN-LLVKDONJSA-N	0	0	541.079	3.054	1	10		KGCFRN
COc1cc2c3c(n(CCCOC(=O)C(F)(F)F)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027650367	561876396	/nfs/dbraw/zinc/87/63/96/561876396.db2.gz	VFWZKRZOYVAGPX-UHFFFAOYSA-N	0	0	505.401	3.454	1	10		KGCFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000027746856	561882961	/nfs/dbraw/zinc/88/29/61/561882961.db2.gz	KLEVQJFRFCHKBN-NDTZOIHYSA-N	0	0	550.509	3.192	1	10		KGCFRN
CCC1CCN(C(=O)[C@H](Cc2ccc(N)cc2)NS(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccc(OC)cc2)CC1	ZINC000027857654	561886601	/nfs/dbraw/zinc/88/66/01/561886601.db2.gz	HULKTUURAXJLMW-WNJJXGMVSA-N	0	0	595.766	3.226	1	10		KGCFRN
CCC1CCN(C(=O)[C@H](Cc2ccc(N)cc2)NS(=O)(=O)c2cnccc2N[C@H](COCCO)Cc2ccccc2)CC1	ZINC000027860845	561886976	/nfs/dbraw/zinc/88/69/76/561886976.db2.gz	ROPFXCPZGNPSNH-JDXGNMNLSA-N	0	0	609.793	3.234	1	10		KGCFRN
CC(C)(C)NC(=O)c1ccccc1OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000028017589	561897714	/nfs/dbraw/zinc/89/77/14/561897714.db2.gz	JYRYZPFLADYPRQ-CPCREDONSA-N	0	0	704.780	3.132	1	10		KGCFRN
CC(C)(C)NC(=O)c1ccccc1OC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000028022346	561898708	/nfs/dbraw/zinc/89/87/08/561898708.db2.gz	JYRYZPFLADYPRQ-OWHBQTKESA-N	0	0	704.780	3.132	1	10		KGCFRN
CCCn1c(=O)n(CC)c(=O)n(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O	ZINC000028111828	561903177	/nfs/dbraw/zinc/90/31/77/561903177.db2.gz	GOPVWDWVOPOQNJ-WOGQQFDQSA-N	0	0	730.773	3.135	1	10		KGCFRN
CCCn1c(=O)n(CC)c(=O)n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5OC[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O	ZINC000028115529	561903682	/nfs/dbraw/zinc/90/36/82/561903682.db2.gz	VSNOHMOCCHIKEH-GOJCVTOHSA-N	0	0	730.773	3.135	1	10		KGCFRN
CCCn1c(=O)n(CC)c(=O)n(-c2ccc(N3CCN(c4ccc(OC[C@H]5OC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O	ZINC000028115662	561903675	/nfs/dbraw/zinc/90/36/75/561903675.db2.gz	VSNOHMOCCHIKEH-DYKQPOOOSA-N	0	0	730.773	3.135	1	10		KGCFRN
COc1ccc(CNC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(OC)c(OC)c2)NC(=O)Cc2ccccc2)C(C)C)c(O)c1	ZINC000028394031	561922800	/nfs/dbraw/zinc/92/28/00/561922800.db2.gz	DBULQALDDOYYGW-QCDSWUKFSA-N	0	0	577.678	3.145	1	10		KGCFRN
CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c2nccc(CC)c21	ZINC000028641400	561943274	/nfs/dbraw/zinc/94/32/74/561943274.db2.gz	IPDCZGYVVOMODA-FQEVSTJZSA-N	0	0	559.712	3.217	1	10		KGCFRN
CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-])c2nccc(CC)c21	ZINC000028641782	561943386	/nfs/dbraw/zinc/94/33/86/561943386.db2.gz	IPDCZGYVVOMODA-HXUWFJFHSA-N	0	0	559.712	3.217	1	10		KGCFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)CN=[N+]=[N-]	ZINC000028769467	561960826	/nfs/dbraw/zinc/96/08/26/561960826.db2.gz	GEXRPFUOLASCKI-KQZFZZGISA-N	0	0	626.759	3.060	1	10		KGCFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@@H](O)CN=[N+]=[N-]	ZINC000028770210	561961153	/nfs/dbraw/zinc/96/11/53/561961153.db2.gz	GEXRPFUOLASCKI-YLSALNBJSA-N	0	0	626.759	3.060	1	10		KGCFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@@H](CO)CN=[N+]=[N-]	ZINC000028770450	561961119	/nfs/dbraw/zinc/96/11/19/561961119.db2.gz	BBAJUDQUKHLFJS-DHIPOJKXSA-N	0	0	640.786	3.308	1	10		KGCFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](CO)CN=[N+]=[N-]	ZINC000028771006	561961336	/nfs/dbraw/zinc/96/13/36/561961336.db2.gz	BBAJUDQUKHLFJS-ZQXYJURASA-N	0	0	640.786	3.308	1	10		KGCFRN
CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(O)c(c2O)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O	ZINC000028896282	561979163	/nfs/dbraw/zinc/97/91/63/561979163.db2.gz	SSTZKOMSVQUZSD-LVBRMASUSA-N	0	0	548.633	3.264	1	10		KGCFRN
COC(=O)c1cc2c(c(O)c1[C@@H](C)OC(=O)CO)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O	ZINC000028973501	561986155	/nfs/dbraw/zinc/98/61/55/561986155.db2.gz	LMNHPKWXMIGBEL-SNVBAGLBSA-N	0	0	528.897	3.380	1	10	in-vivo	KGCFRN
COC(=O)c1cc2c(c(O)c1[C@H](C)OC(=O)CO)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O	ZINC000028973505	561986193	/nfs/dbraw/zinc/98/61/93/561986193.db2.gz	LMNHPKWXMIGBEL-JTQLQIEISA-N	0	0	528.897	3.380	1	10	in-vivo	KGCFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CN=[N+]=[N-]	ZINC000029341997	562015501	/nfs/dbraw/zinc/01/55/01/562015501.db2.gz	GEXRPFUOLASCKI-JSLVBRCRSA-N	0	0	626.759	3.060	1	10		KGCFRN
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C(=O)NCC(N)=O)cccc21	ZINC000029344868	562016033	/nfs/dbraw/zinc/01/60/33/562016033.db2.gz	ZVZNIJFMVTVCSC-UHFFFAOYSA-N	0	0	527.990	3.380	1	10		KGCFRN
COc1ccc(N2CCN(C(=O)Cn3cc(Cc4cncnc4)c(=O)nc3SCc3ccc(F)cc3)CC2)cc1	ZINC000029561569	562033323	/nfs/dbraw/zinc/03/33/23/562033323.db2.gz	FSCZTTABRKOVTM-UHFFFAOYSA-N	0	0	560.655	3.413	1	10		KGCFRN
O=C(CN1CCOCC1)Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl	ZINC000035242407	562044804	/nfs/dbraw/zinc/04/48/04/562044804.db2.gz	GFJXOQQBHCZDAU-UHFFFAOYSA-N	0	0	512.872	3.200	1	10		KGCFRN
O=C([C@@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccc(O)c(O)c1)N1CCC(CCF)CC1	ZINC000036093440	562047223	/nfs/dbraw/zinc/04/72/23/562047223.db2.gz	QHBLSLXEBBCVQB-FIPFOOKPSA-N	0	0	586.686	3.126	1	10		KGCFRN
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C(=O)CN=[N+]=[N-]	ZINC000036188263	562050972	/nfs/dbraw/zinc/05/09/72/562050972.db2.gz	NONFUUBQJDHZSF-AQCTUAEDSA-N	0	0	624.743	3.269	1	10		KGCFRN
CCO[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])C(=O)NCCc1ccccc1	ZINC000040479703	562077505	/nfs/dbraw/zinc/07/75/05/562077505.db2.gz	OYWVDXFKMZSDKT-ZJVZTKDFSA-N	0	0	506.456	3.010	1	10		KGCFRN
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)(NC(C)C)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000040662781	562078841	/nfs/dbraw/zinc/07/88/41/562078841.db2.gz	XSBXRBZSJOXDCO-MCORKLGXSA-N	0	0	532.560	3.257	1	10		KGCFRN
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(ccc4c2CN(c2ccc(OC)cc2)CO4)nc1-3	ZINC000040845946	562080292	/nfs/dbraw/zinc/08/02/92/562080292.db2.gz	MGXZCHNFTLNDPD-LJAQVGFWSA-N	0	0	511.534	3.445	1	10		KGCFRN
COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c(O)c1	ZINC000040874820	562081939	/nfs/dbraw/zinc/08/19/39/562081939.db2.gz	YPGBLCWPESMGKC-NRFANRHFSA-N	0	0	513.572	3.430	1	10		KGCFRN
COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c(O)c1	ZINC000040874822	562081924	/nfs/dbraw/zinc/08/19/24/562081924.db2.gz	YPGBLCWPESMGKC-OAQYLSRUSA-N	0	0	513.572	3.430	1	10		KGCFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000042764845	562087610	/nfs/dbraw/zinc/08/76/10/562087610.db2.gz	RNDXGSCEGMDMDE-ZCABNWQRSA-N	0	0	584.526	3.389	1	10		KGCFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000042764850	562087594	/nfs/dbraw/zinc/08/75/94/562087594.db2.gz	RNDXGSCEGMDMDE-JUPQSSLCSA-N	0	0	584.526	3.389	1	10		KGCFRN
COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000042764856	562087588	/nfs/dbraw/zinc/08/75/88/562087588.db2.gz	RNDXGSCEGMDMDE-KGLHDYPOSA-N	0	0	584.526	3.389	1	10		KGCFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000043427170	562648473	/nfs/dbraw/zinc/64/84/73/562648473.db2.gz	KLEVQJFRFCHKBN-YFWSNENSSA-N	0	0	550.509	3.192	1	10		KGCFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000043427174	562648484	/nfs/dbraw/zinc/64/84/84/562648484.db2.gz	KLEVQJFRFCHKBN-SYHANVFJSA-N	0	0	550.509	3.192	1	10		KGCFRN
COC(=O)[C@H](CC(C)C)N[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])Oc1ccccc1	ZINC000043427176	562648465	/nfs/dbraw/zinc/64/84/65/562648465.db2.gz	KLEVQJFRFCHKBN-KSPHHBDCSA-N	0	0	550.509	3.192	1	10		KGCFRN
CC[C@@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(N2CCOCC2)cc1	ZINC000044221023	562652613	/nfs/dbraw/zinc/65/26/13/562652613.db2.gz	QNZJPXKVHLBLBJ-MQTVTHGDSA-N	0	0	546.712	3.246	1	10		KGCFRN
CC[C@@]1(C(=O)NCCN2CCOCC2)OC(=O)c2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C1CCCC1	ZINC000044305509	562653446	/nfs/dbraw/zinc/65/34/46/562653446.db2.gz	QKENNQFJIXUBEP-JGCGQSQUSA-N	0	0	572.662	3.316	1	10		KGCFRN
O=C(CO[N+](=O)[O-])N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000044404512	562656450	/nfs/dbraw/zinc/65/64/50/562656450.db2.gz	ZJJXRAUZMDSZGM-NVQXNPDNSA-N	0	0	592.436	3.394	1	10		KGCFRN
COc1cccc(S(=O)(=O)N(Cc2cccs2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(O)c(O)c(O)c2)c1	ZINC000044417987	562657265	/nfs/dbraw/zinc/65/72/65/562657265.db2.gz	HMHGIATWADZPSG-RPLLCQBOSA-N	0	0	598.699	3.467	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)CO)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000044431506	562657874	/nfs/dbraw/zinc/65/78/74/562657874.db2.gz	WFAXJIUATISRBZ-JBDIULAASA-N	0	0	583.560	3.310	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)CO)Oc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000044431509	562657887	/nfs/dbraw/zinc/65/78/87/562657887.db2.gz	WFAXJIUATISRBZ-KTEGIUKHSA-N	0	0	583.560	3.310	1	10		KGCFRN
CC1(C)OC(=O)[C@@]2(C=C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	ZINC000049766424	562677046	/nfs/dbraw/zinc/67/70/46/562677046.db2.gz	QLKKUKSEMXUBCC-KWCSHBHDSA-N	0	0	538.505	3.067	1	10		KGCFRN
CCc1cc(O[C@@H]2O[C@H](COC)[C@@H](OC)[C@H](OC)[C@H]2OC)c2c(c1)C(=O)c1cc(C)cc(OC)c1C2=O	ZINC000049802546	562685752	/nfs/dbraw/zinc/68/57/52/562685752.db2.gz	YCTUZGOJUWWBCN-HZRCXWLISA-N	0	0	514.571	3.137	1	10		KGCFRN
COC(=O)c1c(C)c2c(cc1O)C(=O)c1ccc([C@]3(O)c4cccc(O)c4C(=O)c4c(C)c(C(=O)OC)c(O)cc43)c(O)c1C2=O	ZINC000049841049	562687987	/nfs/dbraw/zinc/68/79/87/562687987.db2.gz	JFUFATWECSQGDK-UUWRZZSWSA-N	0	0	624.554	3.303	1	10	in-vitro	KGCFRN
COC(=O)c1c(C)c2c(cc1O)C(=O)c1ccc([C@@]3(O)c4cccc(O)c4C(=O)c4c(C)c(C(=O)OC)c(O)cc43)c(O)c1C2=O	ZINC000049841050	562687968	/nfs/dbraw/zinc/68/79/68/562687968.db2.gz	JFUFATWECSQGDK-UMSFTDKQSA-N	0	0	624.554	3.303	1	10	in-vitro	KGCFRN
Cc1cc(N(C)C)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000049898266	562692392	/nfs/dbraw/zinc/69/23/92/562692392.db2.gz	MHHYVTRSEKCASG-ZYOXRPPDSA-N	0	0	674.864	3.291	1	10	in-vivo	KGCFRN
C[C@H](N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC(C)(C)C	ZINC000049898714	562692779	/nfs/dbraw/zinc/69/27/79/562692779.db2.gz	DENQHQHRVDVXEY-DACVWBNOSA-N	0	0	642.566	3.054	1	10		KGCFRN
C[C@H](N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC(C)(C)C	ZINC000049898715	562692776	/nfs/dbraw/zinc/69/27/76/562692776.db2.gz	DENQHQHRVDVXEY-SIAMUSQDSA-N	0	0	642.566	3.054	1	10		KGCFRN
C[C@H](N[P@@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1	ZINC000049898744	562692814	/nfs/dbraw/zinc/69/28/14/562692814.db2.gz	LCLLKIOROLBJAW-ZUPWPILRSA-N	0	0	676.583	3.455	1	10		KGCFRN
C[C@H](N[P@](=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c2nc[nH]c3=O)[C@H](O)[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1	ZINC000049898745	562692810	/nfs/dbraw/zinc/69/28/10/562692810.db2.gz	LCLLKIOROLBJAW-AXKDPXTISA-N	0	0	676.583	3.455	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(Oc3ccccc3)Oc3cccnc3)O2)c(=O)[nH]c1=O	ZINC000052565896	562695898	/nfs/dbraw/zinc/69/58/98/562695898.db2.gz	YXCFRFYVUAUFDS-KEMFYQJNSA-N	0	0	500.408	3.489	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(Oc3ccccc3)Oc3cccnc3)O2)c(=O)[nH]c1=O	ZINC000052565898	562695924	/nfs/dbraw/zinc/69/59/24/562695924.db2.gz	YXCFRFYVUAUFDS-ZOJKKSOFSA-N	0	0	500.408	3.489	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(Oc3ccccc3)Oc3ccncc3)O2)c(=O)[nH]c1=O	ZINC000052566055	562695913	/nfs/dbraw/zinc/69/59/13/562695913.db2.gz	LHFBOJXUXRPHTO-KEMFYQJNSA-N	0	0	500.408	3.489	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(Oc3ccccc3)Oc3ccncc3)O2)c(=O)[nH]c1=O	ZINC000052566058	562695901	/nfs/dbraw/zinc/69/59/01/562695901.db2.gz	LHFBOJXUXRPHTO-ZOJKKSOFSA-N	0	0	500.408	3.489	1	10		KGCFRN
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br	ZINC000063298066	562704440	/nfs/dbraw/zinc/70/44/40/562704440.db2.gz	YADXIKLQVVBNLC-UHFFFAOYSA-N	0	0	590.504	3.312	1	10		KGCFRN
CCOC(=O)[C@H](N[P@](=O)(OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1)C(C)C	ZINC000064245738	562704572	/nfs/dbraw/zinc/70/45/72/562704572.db2.gz	WXLZMSDZLCVCSU-QLVKSGBMSA-N	0	0	550.509	3.192	1	10		KGCFRN
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(C2=C(c3c[nH]c4ccccc43)C(=O)N(C)C2=O)c2ccccc21	ZINC000064491710	562705963	/nfs/dbraw/zinc/70/59/63/562705963.db2.gz	HWYFPUUEXXVUSQ-XMMPIXPASA-N	0	0	592.608	3.344	1	10		KGCFRN
CCOC(=O)[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1)C(C)C	ZINC000064498996	562705959	/nfs/dbraw/zinc/70/59/59/562705959.db2.gz	XCANFUHQBUUHCK-SBTAKNPXSA-N	0	0	575.523	3.049	1	10		KGCFRN
CCOC(=O)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1)C(C)C	ZINC000064510527	562706139	/nfs/dbraw/zinc/70/61/39/562706139.db2.gz	WXLZMSDZLCVCSU-ZSJXUOFFSA-N	0	0	550.509	3.192	1	10		KGCFRN
CCOC(=O)[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1)C(C)C	ZINC000064510529	562706187	/nfs/dbraw/zinc/70/61/87/562706187.db2.gz	WXLZMSDZLCVCSU-KKJFCUBXSA-N	0	0	550.509	3.192	1	10		KGCFRN
Cc1c(C(=O)NCCN2CCOCC2)cc(-c2ccc3ccccc3c2)n1-c1ccc(S(N)(=O)=O)cc1	ZINC000064512406	562706222	/nfs/dbraw/zinc/70/62/22/562706222.db2.gz	HRZCRLOCDHAARI-UHFFFAOYSA-N	0	0	518.639	3.315	1	10		KGCFRN
C/C(NNC(=S)N1CCc2cc(C(=O)N3CCOCC3)ccc21)=C1/C(=O)N(c2ccc(C)c(C)c2)N=C1C	ZINC000064548322	562707795	/nfs/dbraw/zinc/70/77/95/562707795.db2.gz	ZBCZFPJRXQRPGM-PLRJNAJWSA-N	0	0	532.670	3.214	1	10		KGCFRN
CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)CN(C)C12C(=O)c1ccccc1C2=O	ZINC000066077917	562710372	/nfs/dbraw/zinc/71/03/72/562710372.db2.gz	HSLQNRDPCZPZLB-YIPNQBBMSA-N	0	0	554.599	3.417	1	10		KGCFRN
CC(C)[C@@H](C(=O)[O-])N(C)c1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1	ZINC000066098262	562710905	/nfs/dbraw/zinc/71/09/05/562710905.db2.gz	PKZVUKVLIUQYQI-VLGQDORFSA-N	0	0	566.646	3.127	1	10		KGCFRN
CC(C)[C@H](C(=O)[O-])N(C)c1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1	ZINC000066098265	562710882	/nfs/dbraw/zinc/71/08/82/562710882.db2.gz	PKZVUKVLIUQYQI-DETVKUJNSA-N	0	0	566.646	3.127	1	10		KGCFRN
Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OC3CCCC3)CC2)cc1	ZINC000071341719	562720021	/nfs/dbraw/zinc/72/00/21/562720021.db2.gz	HEPYHEIKILTIAQ-UHFFFAOYSA-N	0	0	544.077	3.442	1	10		KGCFRN
COc1cc(C=C2SC(=S)NC2=O)cc(OC)c1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114770	562722805	/nfs/dbraw/zinc/72/28/05/562722805.db2.gz	RAKGPANWTGENRD-UQRIMIDWSA-N	0	0	534.566	3.029	1	10		KGCFRN
COc1cc(C=C2SC(=S)NC2=O)cc(OC)c1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114771	562722783	/nfs/dbraw/zinc/72/27/83/562722783.db2.gz	RAKGPANWTGENRD-QABFYKEUSA-N	0	0	534.566	3.029	1	10		KGCFRN
COc1ccc(C=C2SC(=S)NC2=O)cc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114783	562722792	/nfs/dbraw/zinc/72/27/92/562722792.db2.gz	FUPHHJPASWRWGU-MDNLHRODSA-N	0	0	504.540	3.021	1	10		KGCFRN
COc1ccc(C=C2SC(=S)NC2=O)cc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072114784	562722807	/nfs/dbraw/zinc/72/28/07/562722807.db2.gz	FUPHHJPASWRWGU-WDIHCZPDSA-N	0	0	504.540	3.021	1	10		KGCFRN
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)C[NH+](C)C)c4)c(=O)oc3c2C)OC1(C)C	ZINC000072125152	562725179	/nfs/dbraw/zinc/72/51/79/562725179.db2.gz	GQDPPTXTWFHGBE-KRILQTMBSA-N	0	0	740.807	3.147	1	10		KGCFRN
COc1cc(C=C2SC(=S)NC2=O)ccc1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072142664	562729614	/nfs/dbraw/zinc/72/96/14/562729614.db2.gz	VIMCOBIOZIRDER-MDNLHRODSA-N	0	0	504.540	3.021	1	10		KGCFRN
COc1cc(C=C2SC(=S)NC2=O)ccc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000072142665	562729623	/nfs/dbraw/zinc/72/96/23/562729623.db2.gz	VIMCOBIOZIRDER-WDIHCZPDSA-N	0	0	504.540	3.021	1	10		KGCFRN
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(Cc4ccc5c(c4)OCO5)c3=O)c(OC)c1C2=O	ZINC000073199256	562736000	/nfs/dbraw/zinc/73/60/00/562736000.db2.gz	LJKFRRXVVCOEQN-UHFFFAOYSA-N	0	0	588.544	3.084	1	10		KGCFRN
Cc1ccc(C(=O)Nc2c(NC(=O)CN(C)CC3OCCO3)ccc3c2C(=O)c2ccccc2C3=O)cc1	ZINC000073199487	562736034	/nfs/dbraw/zinc/73/60/34/562736034.db2.gz	CKXIWNUNWFAWTD-UHFFFAOYSA-N	0	0	513.550	3.266	1	10		KGCFRN
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(CC=C(C)C)c3=O)c(OC)c1C2=O	ZINC000082153215	562740159	/nfs/dbraw/zinc/74/01/59/562740159.db2.gz	WVUPRSXXHOWGPQ-UHFFFAOYSA-N	0	0	522.529	3.273	1	10		KGCFRN
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(Cc4ccccc4)c3=O)c(OC)c1C2=O	ZINC000082153218	562740173	/nfs/dbraw/zinc/74/01/73/562740173.db2.gz	SFROBPJJYPNKJO-UHFFFAOYSA-N	0	0	544.535	3.355	1	10		KGCFRN
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(Cc4ccccc4F)c3=O)c(OC)c1C2=O	ZINC000082154446	562740342	/nfs/dbraw/zinc/74/03/42/562740342.db2.gz	VEWWCXANISJPME-UHFFFAOYSA-N	0	0	562.525	3.494	1	10		KGCFRN
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(Cn3cc(F)c(=O)n(Cc4cccc(F)c4)c3=O)c(OC)c1C2=O	ZINC000082155209	562740497	/nfs/dbraw/zinc/74/04/97/562740497.db2.gz	ABJSVWOHTJIGLH-UHFFFAOYSA-N	0	0	562.525	3.494	1	10		KGCFRN
CCCCn1c(=O)c(F)cn(Cc2c(C)cc3c(c2OC)C(=O)c2c(OC)cc(OC)cc2C3=O)c1=O	ZINC000082156839	562740725	/nfs/dbraw/zinc/74/07/25/562740725.db2.gz	NOIBGJIVBJSQQA-UHFFFAOYSA-N	0	0	510.518	3.107	1	10		KGCFRN
COC(=O)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN[C@H](C(=O)OC)c3ccccc3)cccc1C2=O)c1ccccc1	ZINC000082181558	562741808	/nfs/dbraw/zinc/74/18/08/562741808.db2.gz	AGYLTYDUKPQYSG-ACHIHNKUSA-N	0	0	648.672	3.347	1	10		KGCFRN
CC(=O)Oc1ccccc1C(=O)OCCOC(=O)c1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O	ZINC000084652144	562746442	/nfs/dbraw/zinc/74/64/42/562746442.db2.gz	IUBIPZKQNPBUKT-UHFFFAOYSA-N	0	0	574.494	3.252	1	10		KGCFRN
COC(=O)c1ccc2c(c1)C(=O)c1c-2n(CCCNS(=O)(=O)c2ccccc2)c(=O)c2cc(OC)c(OC)cc12	ZINC000084690114	562749457	/nfs/dbraw/zinc/74/94/57/562749457.db2.gz	ZZDPQSGPQYEKBQ-UHFFFAOYSA-N	0	0	562.600	3.385	1	10		KGCFRN
Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cc(F)cc(F)c4)c(=O)c3OC3CCCC3)CC2)cc1	ZINC000084705008	562749879	/nfs/dbraw/zinc/74/98/79/562749879.db2.gz	UYBBZRCUQGOFCG-UHFFFAOYSA-N	0	0	545.612	3.066	1	10		KGCFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2ccc(N)cc2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O	ZINC000084713213	562750864	/nfs/dbraw/zinc/75/08/64/562750864.db2.gz	SXDHYNBQGIKNJB-KCIBBDPESA-N	0	0	622.730	3.062	1	10		KGCFRN
O=C(OC[C@H]1O[C@@H](Oc2ccc(O)cc2COC(=O)c2cccc(O)c2O)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000084725483	562751259	/nfs/dbraw/zinc/75/12/59/562751259.db2.gz	OBIYNFBGLPYNLC-AWVJDWFHSA-N	0	0	646.601	3.069	1	10		KGCFRN
CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc(N)cc4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1	ZINC000084729729	562751540	/nfs/dbraw/zinc/75/15/40/562751540.db2.gz	QDISYJTWDSSATI-UHFFFAOYSA-N	0	0	544.077	3.299	1	10		KGCFRN
C[NH2+][C@@H]1[C@H]2C=C[C@]3(C[C@](O)(C(=O)[O-])[C@H](Cc4ccccc4)[C@@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@]13OC(=O)/C=C/c1ccc(O)c(O)c1)OC2	ZINC000085489951	291785649	/nfs/dbraw/zinc/78/56/49/291785649.db2.gz	ISOBPRQYHIQRCT-LPODIMTDSA-N	0	0	699.709	3.051	1	10	biogenic,in-vitro	KGCFRN
CCc1cccc(C[C@H]2[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@]3(OC(=O)/C=C/c4ccc(O)c(O)c4)[C@@H](C[C@]2(O)C(=O)[O-])OCC[C@@H]3[NH2+]C)c1	ZINC000085489967	291783042	/nfs/dbraw/zinc/78/30/42/291783042.db2.gz	DIFXYZHYIZYANN-INGXUPIASA-N	0	0	703.741	3.447	1	10	biogenic,in-vitro	KGCFRN
COc1cc2c(cc1O)CCN[C@]21CS[C@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4	ZINC000085536982	562753150	/nfs/dbraw/zinc/75/31/50/562753150.db2.gz	PKVRCIRHQMSYJX-PYDRXBSSSA-N	0	0	761.850	3.413	1	10	in-man	KGCFRN
COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)[C@@H](O)N4)cc(OCCCO)c1O	ZINC000085567550	291788229	/nfs/dbraw/zinc/78/82/29/291788229.db2.gz	OUWPKPPWTDBGKW-MLBDXMHCSA-N	0	0	537.565	3.268	1	10	biogenic,in-vitro	KGCFRN
CC1C=C2C(=O)c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@@](O)(C[C@]5(c6ccnc(N)c6)CCC6(CCCC6)C5)[C@H]4O)c3C(=O)C2=C(O)C1	ZINC000085592419	565146920	/nfs/dbraw/zinc/14/69/20/565146920.db2.gz	FLNOLAYCXGZYAY-DMPKALNUSA-N	0	0	646.737	3.298	1	10	biogenic,in-vitro	KGCFRN
O=C1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)C2=C(O)CC(C[C@H]3CCCC[C@@H]3Cc3ccccc3)C=C12	ZINC000085592436	291796907	/nfs/dbraw/zinc/79/69/07/291796907.db2.gz	UQRIHFGLCHVYCO-SXQIIPGSSA-N	0	0	590.669	3.298	1	10	biogenic,in-vitro	KGCFRN
CNCNc1cc(CC/C(C)=C(\CO)C[C@@]23O[C@]2(C(=O)OC[C@H](O)CCc2ccccc2)C(=O)c2ccccc2C3=O)ccn1	ZINC000085592634	565148552	/nfs/dbraw/zinc/14/85/52/565148552.db2.gz	MSJKOFXUEOFQFV-VIKUBYOPSA-N	0	0	613.711	3.426	1	10	biogenic,in-vitro	KGCFRN
C/C(CC1(c2ccnc(N)c2)CCCCC1)=C(/CO)C[C@@]12O[C@]1(C(=O)OCCO)C(=O)c1ccccc1C2=O	ZINC000085592670	560065608	/nfs/dbraw/zinc/06/56/08/560065608.db2.gz	XBOUNZREPVWDTR-BFICSWAHSA-N	0	0	534.609	3.077	1	10	biogenic,in-vitro	KGCFRN
CC(=O)Oc1cc(CO)c2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O	ZINC000085593329	291777581	/nfs/dbraw/zinc/77/75/81/291777581.db2.gz	ZUAYBYITGUAONH-GUKBYFCWSA-N	0	0	734.758	3.119	1	10	biogenic,in-vitro	KGCFRN
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(CO)c3C=O)c(O)c1C2=O	ZINC000085593348	291778101	/nfs/dbraw/zinc/77/81/01/291778101.db2.gz	FRGXLWMAHGSJFK-GGAJCUSGSA-N	0	0	694.689	3.365	1	10	biogenic,in-vitro	KGCFRN
CC(=O)Oc1ccc2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C(N)N)c3)c(O)c1C2=O	ZINC000085593394	291778104	/nfs/dbraw/zinc/77/81/04/291778104.db2.gz	AYDWCFFKZOUOIF-JCEKVLKUSA-N	0	0	706.748	3.293	1	10	biogenic,in-vitro	KGCFRN
CC(=O)Oc1ccc2c(c1-c1ccc3ccccc3c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C)c(O)c1C2=O	ZINC000085593435	291778107	/nfs/dbraw/zinc/77/81/07/291778107.db2.gz	YSRHGJZCYVAZBZ-XHGLSGOWSA-N	0	0	584.577	3.428	1	10	biogenic,in-vitro	KGCFRN
CC(=O)Oc1ccc2c(c1C1=Cc3ccccc3CC1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(C)c(O)c1C2=O	ZINC000085593438	291778098	/nfs/dbraw/zinc/77/80/98/291778098.db2.gz	IERPQKAYIAPWQY-XHGLSGOWSA-N	0	0	586.593	3.094	1	10	biogenic,in-vitro	KGCFRN
C[C@@]1(CCc2ccc(N)cc2)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O	ZINC000085593548	560065146	/nfs/dbraw/zinc/06/51/46/560065146.db2.gz	LWMIWKRDSFZRDP-INOCPDNRSA-N	0	0	505.523	3.261	1	10	biogenic,in-vitro	KGCFRN
COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@@]2(c3ccnc(N)c3)CC[C@@H](O)C2)ccc1O	ZINC000085625768	291787352	/nfs/dbraw/zinc/78/73/52/291787352.db2.gz	UOSYFQPQOJHIPS-AAVFBULHSA-N	0	0	566.651	3.392	1	10	biogenic,in-vitro	KGCFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)c1ccccc1	ZINC000095540685	562755913	/nfs/dbraw/zinc/75/59/13/562755913.db2.gz	BGKDCLMBGNPIKR-JUDQYLRBSA-N	0	0	781.911	3.273	1	10		KGCFRN
CCC[C@@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)c1ccccc1	ZINC000095540686	562755917	/nfs/dbraw/zinc/75/59/17/562755917.db2.gz	BGKDCLMBGNPIKR-GYSSTAGKSA-N	0	0	781.911	3.273	1	10		KGCFRN
CCC[C@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)Cc1ccccc1	ZINC000095542346	562756668	/nfs/dbraw/zinc/75/66/68/562756668.db2.gz	MAYWFBQKNAZPEC-GGBNNUIMSA-N	0	0	795.938	3.202	1	10		KGCFRN
CCC[C@@H](NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCc3ccccc3C2)CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)C(=O)C(=O)Cc1ccccc1	ZINC000095542347	562756669	/nfs/dbraw/zinc/75/66/69/562756669.db2.gz	MAYWFBQKNAZPEC-BLQNQFLRSA-N	0	0	795.938	3.202	1	10		KGCFRN
Cc1cc(O)c2c(ccc3c2C(=O)c2c(O)ccc(O[C@H]4C[C@@H](O)[C@H](O[C@H]5C[C@@H](O[C@H]6CC[C@H](O)[C@H](C)O6)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)c2C3=O)c1	ZINC000095547773	562758871	/nfs/dbraw/zinc/75/88/71/562758871.db2.gz	RUJFLJSRGGUINW-AMZPDSDKSA-N	0	0	694.730	3.362	1	10		KGCFRN
O=C1N=C(NCCN2CCN(CCNC3=NC(=O)C(=Cc4ccc(O)cc4)S3)CC2)SC1=CC=Cc1ccccc1	ZINC000095558411	562762428	/nfs/dbraw/zinc/76/24/28/562762428.db2.gz	HZFGWFLDLOQFLN-REHMVOFOSA-N	0	0	588.759	3.386	1	10		KGCFRN
O=C1N=C(NCCCn2cc(CCNC3=NC(=O)C(=Cc4ccc(O)cc4)S3)nn2)SC1=Cc1ccc(O)cc1	ZINC000095558892	562762594	/nfs/dbraw/zinc/76/25/94/562762594.db2.gz	WWRBYRIYLJBKBL-VMTNTFKOSA-N	0	0	575.676	3.142	1	10		KGCFRN
O=C1N=C(NCCCn2cc(CNC3=NC(=O)C(=Cc4ccc(O)cc4)S3)nn2)SC1=Cc1ccc(O)cc1	ZINC000095561404	562763398	/nfs/dbraw/zinc/76/33/98/562763398.db2.gz	HSDLLCUOHZVWKP-HDSGJDLKSA-N	0	0	561.649	3.100	1	10		KGCFRN
Cn1c(Br)c(Br)cc1C(=O)NN1C(=O)CCS[C@H]1c1cc(O)ccc1O	ZINC000095562178	562763587	/nfs/dbraw/zinc/76/35/87/562763587.db2.gz	BFHHZWUSODNDOU-INIZCTEOSA-N	0	0	505.188	3.270	1	10		KGCFRN
Cn1c(Br)c(Br)cc1C(=O)NN1C(=O)CCS[C@@H]1c1cc(O)ccc1O	ZINC000095562179	562763605	/nfs/dbraw/zinc/76/36/05/562763605.db2.gz	BFHHZWUSODNDOU-MRXNPFEDSA-N	0	0	505.188	3.270	1	10		KGCFRN
O=C1N=C(NCCCN2CCN(CCCNC3=NC(=O)C(=Cc4ccc(O)cc4)S3)CC2)SC1=Cc1ccc(O)cc1	ZINC000095562468	562763703	/nfs/dbraw/zinc/76/37/03/562763703.db2.gz	SMXOCMOTLZAVPS-DQIQZUARSA-N	0	0	606.774	3.316	1	10		KGCFRN
COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2cc(Br)c(Br)n2C)c(O)c1	ZINC000095562596	562763755	/nfs/dbraw/zinc/76/37/55/562763755.db2.gz	PNLDHYQDKBAMSP-INIZCTEOSA-N	0	0	505.188	3.183	1	10		KGCFRN
COc1ccc([C@H]2SCC(=O)N2NC(=O)c2cc(Br)c(Br)n2C)c(O)c1	ZINC000095562597	562763759	/nfs/dbraw/zinc/76/37/59/562763759.db2.gz	PNLDHYQDKBAMSP-MRXNPFEDSA-N	0	0	505.188	3.183	1	10		KGCFRN
O=C1N=C(NCCCc2cn(CCNC3=NC(=O)C(=Cc4ccc(O)cc4)S3)nn2)SC1=Cc1ccc(O)cc1	ZINC000095562750	562763814	/nfs/dbraw/zinc/76/38/14/562763814.db2.gz	LBQYIWODGKQTBT-VMTNTFKOSA-N	0	0	575.676	3.142	1	10		KGCFRN
Cc1c([C@H](N)C(=O)OCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1	ZINC000095571857	562769259	/nfs/dbraw/zinc/76/92/59/562769259.db2.gz	BWRXKZJNVZSANU-QFIPXVFZSA-N	0	0	505.524	3.137	1	10		KGCFRN
Cc1c([C@@H](N)C(=O)OCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1	ZINC000095571858	562769252	/nfs/dbraw/zinc/76/92/52/562769252.db2.gz	BWRXKZJNVZSANU-JOCHJYFZSA-N	0	0	505.524	3.137	1	10		KGCFRN
Cc1c([C@H](N)C(=O)OCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1	ZINC000095579967	562771711	/nfs/dbraw/zinc/77/17/11/562771711.db2.gz	ZFZXPLMIWRTNJE-QFIPXVFZSA-N	0	0	505.524	3.137	1	10		KGCFRN
Cc1c([C@@H](N)C(=O)OCCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1	ZINC000095579968	562771738	/nfs/dbraw/zinc/77/17/38/562771738.db2.gz	ZFZXPLMIWRTNJE-JOCHJYFZSA-N	0	0	505.524	3.137	1	10		KGCFRN
COc1cc2c(c(OC)c1O)[C@H](c1ccc(O)c(O)c1)[C@@H](C(=O)NCCc1ccc(O)cc1)C(C(=O)NCCCCNC(C)=O)=C2	ZINC000095587200	562774270	/nfs/dbraw/zinc/77/42/70/562774270.db2.gz	GJSJUEUKMKVQLE-JDXGNMNLSA-N	0	0	633.698	3.063	1	10		KGCFRN
COc1cc(/C=C(/C(=O)NCCCCNC(C)=O)c2cc(O)c(O)cc2CCC(=O)NCCc2ccc(O)cc2)cc(OC)c1O	ZINC000095587864	562774446	/nfs/dbraw/zinc/77/44/46/562774446.db2.gz	HJDHQNBCJWHUOS-JVWAILMASA-N	0	0	635.714	3.391	1	10		KGCFRN
COc1cc(/C=C(/C(=O)NCCCCNC(C)=O)c2cc(O)c(O)cc2CCC(=O)NCCc2ccc(O)cc2)ccc1O	ZINC000095588402	562774636	/nfs/dbraw/zinc/77/46/36/562774636.db2.gz	WZTWRBBZCZLFSH-WPWMEQJKSA-N	0	0	605.688	3.382	1	10		KGCFRN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc(N(C)C)cc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1	ZINC000095597375	562777235	/nfs/dbraw/zinc/77/72/35/562777235.db2.gz	VEMALIBHQMNWOA-GCIMQLSOSA-N	0	0	678.856	3.307	1	10		KGCFRN
COc1cc2c(cc1O)CCNC21CSC2c3c(OC(C)=O)c(C)c4c(c3C(COC1=O)N1C(O)C3Cc5cc(C)c(OC)c(O)c5C(C21)N3C)OCO4	ZINC000095609814	562784004	/nfs/dbraw/zinc/78/40/04/562784004.db2.gz	PKVRCIRHQMSYJX-WAYINLGLSA-N	0	0	761.850	3.413	1	10		KGCFRN
Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C	ZINC000095860536	562789713	/nfs/dbraw/zinc/78/97/13/562789713.db2.gz	PQVSIMSGGSSCRI-RBZJZWSTSA-N	0	0	594.775	3.474	1	10		KGCFRN
[N-]=[N+]=NCCOCCNC(=O)CCCOc1ccc(C[S@](=O)c2nnc(-c3ccc(F)cc3)o2)nc1	ZINC000095872111	562789949	/nfs/dbraw/zinc/78/99/49/562789949.db2.gz	ODGOYXVFSJPHGD-PSXMRANNSA-N	0	0	517.543	3.181	1	10		KGCFRN
[N-]=[N+]=NCCOCCNC(=O)CCCOc1ccc(C[S@@](=O)c2nnc(-c3ccc(F)cc3)o2)nc1	ZINC000095872112	562789955	/nfs/dbraw/zinc/78/99/55/562789955.db2.gz	ODGOYXVFSJPHGD-BHVANESWSA-N	0	0	517.543	3.181	1	10		KGCFRN
CCCC(=O)O[C@H]1[C@@H](OC(=O)CCC)[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@@H](C)[C@@H]1O	ZINC000096900491	562796930	/nfs/dbraw/zinc/79/69/30/562796930.db2.gz	NBYCZLTYKPWKFP-APYAOLPISA-N	0	0	556.564	3.090	1	10		KGCFRN
CCC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	ZINC000096904298	562798260	/nfs/dbraw/zinc/79/82/60/562798260.db2.gz	XKSLGEKDOUFYHP-FKBYEOEOSA-N	0	0	503.640	3.301	1	10		KGCFRN
CCCN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccc(Cl)cc1	ZINC000096933135	562803555	/nfs/dbraw/zinc/80/35/55/562803555.db2.gz	VFRFMIHRMLFXSU-AIIGAZMVSA-N	0	0	502.827	3.499	1	10		KGCFRN
CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(c2cccc(C(C)=O)c2)C(=O)N1Cc1ccccc1O	ZINC000098085316	562805851	/nfs/dbraw/zinc/80/58/51/562805851.db2.gz	RSFMYESLHFNACR-HYOIWIKGSA-N	0	0	510.543	3.214	1	10		KGCFRN
CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1CC(=O)N(c2cccc(C(C)=O)c2)C(=O)N1Cc1ccccc1O	ZINC000098085317	562805857	/nfs/dbraw/zinc/80/58/57/562805857.db2.gz	RSFMYESLHFNACR-WJYDCKGNSA-N	0	0	510.543	3.214	1	10		KGCFRN
C/C=C(/C)C(=O)OC[C@H]1c2c3c(c(C)c(OC(C)=O)c2C=C2[C@H]4c5c(O)c(OC)c(C)c(O)c5C(=O)[C@@H](C(=O)N21)N4C)OCO3	ZINC000101448268	562810764	/nfs/dbraw/zinc/81/07/64/562810764.db2.gz	XSKPRXICRYXWDC-CNUABPJTSA-N	0	0	620.611	3.362	1	10		KGCFRN
CSc1ncc([C@@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1	ZINC000101588026	562811357	/nfs/dbraw/zinc/81/13/57/562811357.db2.gz	FKLIJGDIZXHRRI-VVOJOOEHSA-N	0	0	528.622	3.244	1	10		KGCFRN
CCOC(=O)[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1)C(C)C	ZINC000101612702	562811406	/nfs/dbraw/zinc/81/14/06/562811406.db2.gz	XCANFUHQBUUHCK-GLRKLGBISA-N	0	0	575.523	3.049	1	10		KGCFRN
CCOC(=O)[C@H](N[P@@](=O)(OC[C@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1)C(C)C	ZINC000101904881	562812364	/nfs/dbraw/zinc/81/23/64/562812364.db2.gz	WXLZMSDZLCVCSU-OTCJMXLESA-N	0	0	550.509	3.192	1	10		KGCFRN
COc1ccc(N2CCN(C(=O)c3ccc(CNc4c(=O)c(=O)c4N4CCC[C@@H](C)C4)cc3)CC2)cc1	ZINC000102938991	562813611	/nfs/dbraw/zinc/81/36/11/562813611.db2.gz	GBPUXRCQBOWPIP-HXUWFJFHSA-N	0	0	502.615	3.102	1	10		KGCFRN
COc1ccc(N2CCN(C(=O)c3ccc(CNc4c(=O)c(=O)c4N4CCC[C@H](C)C4)cc3)CC2)cc1	ZINC000102938993	562813644	/nfs/dbraw/zinc/81/36/44/562813644.db2.gz	GBPUXRCQBOWPIP-FQEVSTJZSA-N	0	0	502.615	3.102	1	10		KGCFRN
CCCN[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccc(Cl)cc1	ZINC000103150335	562814519	/nfs/dbraw/zinc/81/45/19/562814519.db2.gz	VFRFMIHRMLFXSU-GNLTZAEOSA-N	0	0	502.827	3.499	1	10		KGCFRN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3o/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	ZINC000103167332	562814637	/nfs/dbraw/zinc/81/46/37/562814637.db2.gz	XHPKJVRXGPLIDR-WHNPURCTSA-N	0	0	508.578	3.480	1	10		KGCFRN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3o/c(=C\c4ccc(N(C)C)cc4)c(=O)n32)cc1	ZINC000103167335	562814640	/nfs/dbraw/zinc/81/46/40/562814640.db2.gz	XHPKJVRXGPLIDR-HPFVHPJRSA-N	0	0	508.578	3.480	1	10		KGCFRN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)oc2=N1	ZINC000103168382	562814681	/nfs/dbraw/zinc/81/46/81/562814681.db2.gz	UBGQICXTWRPCEX-FCYPAOMHSA-N	0	0	523.549	3.380	1	10		KGCFRN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)oc2=N1	ZINC000103168385	562814665	/nfs/dbraw/zinc/81/46/65/562814665.db2.gz	UBGQICXTWRPCEX-KDSDTBODSA-N	0	0	523.549	3.380	1	10		KGCFRN
O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cc2cc(Br)ccc2oc1=O	ZINC000103187288	562815474	/nfs/dbraw/zinc/81/54/74/562815474.db2.gz	FPJZWEODZOWEHF-UHFFFAOYSA-N	0	0	521.352	3.323	1	10		KGCFRN
COc1ccc(N2CCN(C(=S)SC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	ZINC000103264805	562822014	/nfs/dbraw/zinc/82/20/14/562822014.db2.gz	BEKGTXSUBZXHMK-QHCPKHFHSA-N	0	0	505.616	3.293	1	10		KGCFRN
COc1ccc(N2CCN(C(=S)SC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	ZINC000103264807	562822021	/nfs/dbraw/zinc/82/20/21/562822021.db2.gz	BEKGTXSUBZXHMK-HSZRJFAPSA-N	0	0	505.616	3.293	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)N[C@@H](C)C(=O)OCC(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000103281462	562823563	/nfs/dbraw/zinc/82/35/63/562823563.db2.gz	YUEIVJNYWQLZFQ-WKWVNEEDSA-N	0	0	629.652	3.071	1	10		KGCFRN
CCOC(=O)C[C@@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC)N(Cc1ccccc1O)C(=O)NCc1ccccc1	ZINC000103289637	562824036	/nfs/dbraw/zinc/82/40/36/562824036.db2.gz	KWCQVGGQQGRCEO-MBDAMEABSA-N	0	0	528.602	3.317	1	10		KGCFRN
CCOC(=O)C[C@H]([C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC)N(Cc1ccccc1O)C(=O)NCc1ccccc1	ZINC000103289638	562824041	/nfs/dbraw/zinc/82/40/41/562824041.db2.gz	KWCQVGGQQGRCEO-DDLBMNSQSA-N	0	0	528.602	3.317	1	10		KGCFRN
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1	ZINC000113624015	562826654	/nfs/dbraw/zinc/82/66/54/562826654.db2.gz	MOOBGYSBQNTSFE-UHFFFAOYSA-N	0	0	506.005	3.002	1	10		KGCFRN
CC(C)[C@H](C(=O)[O-])N(C)c1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1	ZINC000116361301	562829393	/nfs/dbraw/zinc/82/93/93/562829393.db2.gz	PKZVUKVLIUQYQI-UFKXBGGNSA-N	0	0	566.646	3.127	1	10		KGCFRN
CC(C)[C@@H](C(=O)[O-])N(C)c1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1	ZINC000116361305	562829383	/nfs/dbraw/zinc/82/93/83/562829383.db2.gz	PKZVUKVLIUQYQI-VAQLEPBLSA-N	0	0	566.646	3.127	1	10		KGCFRN
NC(=O)[C@@H]1[C@H](Nc2c3[nH]c(-c4ccc(N5CCOCC5)cc4)nc3ncc2Br)[C@H]2C=C[C@@H]1C2	ZINC000143677914	562835239	/nfs/dbraw/zinc/83/52/39/562835239.db2.gz	QBHJZSYKILCFAT-LVFSCSRESA-N	0	0	509.408	3.312	1	10		KGCFRN
Cn1c(=O)cc(-c2ccncn2)nc1OC1CCN(c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1	ZINC000146497239	562838651	/nfs/dbraw/zinc/83/86/51/562838651.db2.gz	AEJIWLBJLPKMGM-UHFFFAOYSA-N	0	0	561.687	3.338	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc3ccccc3)N[C@@H](C)C(=O)OCc3ccccc3)O2)c(=O)[nH]c1=O	ZINC000150609659	562848273	/nfs/dbraw/zinc/84/82/73/562848273.db2.gz	YZOBWNZTLXVYCK-XEJWYGKLSA-N	0	0	669.632	3.379	1	10		KGCFRN
COc1cc2c(cc1O)CCN[C@@]21CS[C@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@@H]21)N3C)OCO4	ZINC000163518702	562849364	/nfs/dbraw/zinc/84/93/64/562849364.db2.gz	PKVRCIRHQMSYJX-KSCZWVHASA-N	0	0	761.850	3.413	1	10		KGCFRN
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000169313676	562855659	/nfs/dbraw/zinc/85/56/59/562855659.db2.gz	OLDCNNJFIHRCLX-JROIKEAHSA-N	0	0	773.657	3.098	1	10		KGCFRN
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)N[C@@H]3[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]3OC)cccc21	ZINC000169332574	562859202	/nfs/dbraw/zinc/85/92/02/562859202.db2.gz	BOAUKCYMXJAEHF-DABALVIDSA-N	0	0	738.772	3.408	1	10		KGCFRN
Nc1ccc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc1	ZINC000169346241	562861750	/nfs/dbraw/zinc/86/17/50/562861750.db2.gz	XWQIHBIREIKBDU-CYBMUJFWSA-N	0	0	524.096	3.225	1	10		KGCFRN
CC(C)Oc1ccc(N2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)cc1NC(=O)c1cnccn1	ZINC000169347439	562861980	/nfs/dbraw/zinc/86/19/80/562861980.db2.gz	HFJJRWQHKRAUHD-UHFFFAOYSA-N	0	0	509.632	3.242	1	10		KGCFRN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC(=O)c1ccccc1)C[C@@H]3O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169366872	562864534	/nfs/dbraw/zinc/86/45/34/562864534.db2.gz	YVBHFKLQBINJGT-KBWLKWNTSA-N	0	0	759.708	3.302	1	10		KGCFRN
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(NC(C)C)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O	ZINC000169369280	562864656	/nfs/dbraw/zinc/86/46/56/562864656.db2.gz	XSBXRBZSJOXDCO-XFRGSPCLSA-N	0	0	532.560	3.257	1	10		KGCFRN
Nc1ccc(CC(=O)Nc2nnc(CCSCCc3nnc(NC(=O)Cc4ccc(N)cc4)s3)s2)cc1	ZINC000169697981	562866782	/nfs/dbraw/zinc/86/67/82/562866782.db2.gz	XCGBILILIFERNJ-UHFFFAOYSA-N	0	0	554.727	3.435	1	10		KGCFRN
Nc1ccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4ccc(N)cc4)s3)s2)cc1	ZINC000169697982	562866772	/nfs/dbraw/zinc/86/67/72/562866772.db2.gz	DZMAHKIIHKVUHJ-UHFFFAOYSA-N	0	0	522.660	3.482	1	10		KGCFRN
CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(O)cc3)c2)CC1	ZINC000169703433	562868742	/nfs/dbraw/zinc/86/87/42/562868742.db2.gz	FOGSOIFBEOMPBL-UHFFFAOYSA-N	0	0	525.649	3.118	1	10		KGCFRN
Cn1nc(C(=O)[O-])c2c1-c1nc(Nc3cc(N4CC[NH+](C)CC4)ccc3OC(F)(F)F)ncc1CC2	ZINC000169709963	562870488	/nfs/dbraw/zinc/87/04/88/562870488.db2.gz	QROBXWMBDYEVNI-UHFFFAOYSA-N	0	0	503.485	3.068	1	10		KGCFRN
C[C@@H]1O[C@H](C[C@@H]2C=CCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1O	ZINC000195499691	562872012	/nfs/dbraw/zinc/87/20/12/562872012.db2.gz	ACGSOVGSCAVABR-KIRMWURQSA-N	0	0	531.483	3.045	1	10		KGCFRN
C[C@H]1OC(c2ccccc2O)=N[C@@H]1C[N+]([O-])(CCCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O	ZINC000238761304	717162620	/nfs/dbraw/zinc/16/26/20/717162620.db2.gz	MBEFAYAJKOIVJF-FZHOFSOYSA-N	0	0	622.675	3.093	1	10		KGCFRN
CCO[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])C(=O)NCCc1ccccc1	ZINC000253636713	562882333	/nfs/dbraw/zinc/88/23/33/562882333.db2.gz	OYWVDXFKMZSDKT-UZFYVRNPSA-N	0	0	506.456	3.422	1	10		KGCFRN
CCO[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)NCCc1ccccc1	ZINC000253636715	562882345	/nfs/dbraw/zinc/88/23/45/562882345.db2.gz	OYWVDXFKMZSDKT-WTTVIYGXSA-N	0	0	506.456	3.422	1	10		KGCFRN
Cc1ccc(S(=O)(=O)Oc2ccc(NCCN3CCOCC3)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000299824250	562883231	/nfs/dbraw/zinc/88/32/31/562883231.db2.gz	GVUNSGUOSCJZHF-UHFFFAOYSA-N	0	0	506.580	3.282	1	10		KGCFRN
COc1ccc(N(CC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CC(=O)N(C)C)cc1	ZINC000299862591	562893634	/nfs/dbraw/zinc/89/36/34/562893634.db2.gz	JVYKNXQMNSDWSC-ACHIHNKUSA-N	0	0	654.830	3.034	1	10		KGCFRN
COc1ccc(N(CC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CC(=O)N(C)C)cc1	ZINC000299862592	562893618	/nfs/dbraw/zinc/89/36/18/562893618.db2.gz	JVYKNXQMNSDWSC-AJQTZOPKSA-N	0	0	654.830	3.034	1	10		KGCFRN
O=C(CO[N-][N+](=O)N1CCCC1)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000377819669	562896092	/nfs/dbraw/zinc/89/60/92/562896092.db2.gz	PPZKUTFKADYMDV-YZNIXAGQSA-N	0	0	661.567	3.412	1	10		KGCFRN
O=NN(O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000377833321	562896237	/nfs/dbraw/zinc/89/62/37/562896237.db2.gz	FNPCJMYGGXHZNP-URXFXBBRSA-N	0	0	550.423	3.247	1	10		KGCFRN
C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(CO)(n3cnnc3)CC2)cc1F	ZINC000473154577	562902194	/nfs/dbraw/zinc/90/21/94/562902194.db2.gz	IRSBOTJRPTWNMS-NBGIEHNGSA-N	0	0	513.639	3.461	1	10		KGCFRN
COCO[N-][N+](=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	ZINC000514290504	562905839	/nfs/dbraw/zinc/90/58/39/562905839.db2.gz	VQEGEAGCRZXYON-OZXSUGGESA-N	0	0	594.476	3.393	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)C(=O)C(=O)[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000653793625	562912806	/nfs/dbraw/zinc/91/28/06/562912806.db2.gz	BVKRFIUAFVNRLV-NDBCSEEMSA-N	0	0	690.798	3.475	1	10		KGCFRN
NS(=O)(=O)c1ccc(-c2nc(SCCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2-c2ccccc2)cc1	ZINC000653795729	562913081	/nfs/dbraw/zinc/91/30/81/562913081.db2.gz	AOJLCKAGSOKLCP-NTUHNPAUSA-N	0	0	538.607	3.342	1	10		KGCFRN
NC(=NC(=O)NCc1cn(-c2ccc(N)cc2)nn1)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1	ZINC000653798244	562913218	/nfs/dbraw/zinc/91/32/18/562913218.db2.gz	OIWCEBOKBDGINZ-JGCGQSQUSA-N	0	0	688.793	3.292	1	10		KGCFRN
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](C)(Cn6cncn6)O5)cc4)CC3)cc2)c1=O	ZINC000653831363	562914561	/nfs/dbraw/zinc/91/45/61/562914561.db2.gz	DSNVAOFAUKUBTK-KNHXXRFOSA-N	0	0	574.686	3.134	1	10		KGCFRN
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](C)(Cn6cncn6)O5)cc4)CC3)cc2)c1=O	ZINC000653831364	562914592	/nfs/dbraw/zinc/91/45/92/562914592.db2.gz	DSNVAOFAUKUBTK-PMEHDDBTSA-N	0	0	574.686	3.134	1	10		KGCFRN
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](C)(Cn6cncn6)O5)cc4)CC3)cc2)c1=O	ZINC000653831365	562914587	/nfs/dbraw/zinc/91/45/87/562914587.db2.gz	DSNVAOFAUKUBTK-TVHSXNCYSA-N	0	0	574.686	3.134	1	10		KGCFRN
CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(Cn6cncn6)O5)cc4)CC3)cc2)c1=O	ZINC000653831366	562914573	/nfs/dbraw/zinc/91/45/73/562914573.db2.gz	DSNVAOFAUKUBTK-ZSNHWWIQSA-N	0	0	574.686	3.134	1	10		KGCFRN
CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c3[C@H]12	ZINC000653838687	562914832	/nfs/dbraw/zinc/91/48/32/562914832.db2.gz	AMMMOFPCTPFKRS-HHHXNRCGSA-N	0	0	571.615	3.321	1	10		KGCFRN
CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c3[C@@H]12	ZINC000653838691	562914819	/nfs/dbraw/zinc/91/48/19/562914819.db2.gz	AMMMOFPCTPFKRS-MHZLTWQESA-N	0	0	571.615	3.321	1	10		KGCFRN
CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCOC(=O)CCC(=O)OCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c3[C@H]12	ZINC000653838815	562914837	/nfs/dbraw/zinc/91/48/37/562914837.db2.gz	XIZWFRVTPYXDLY-MGBGTMOVSA-N	0	0	715.741	3.188	1	10		KGCFRN
CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCOC(=O)CCC(=O)OCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c3[C@@H]12	ZINC000653838816	562914820	/nfs/dbraw/zinc/91/48/20/562914820.db2.gz	XIZWFRVTPYXDLY-XIFFEERXSA-N	0	0	715.741	3.188	1	10		KGCFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(Cn3cc(/C=C4/C(=O)Nc5ccccc54)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653842752	562914935	/nfs/dbraw/zinc/91/49/35/562914935.db2.gz	GRGMIVZOZXOBLU-WWPLFLBGSA-N	0	0	671.663	3.029	1	10		KGCFRN
COc1ccc2c(c1)c(/C=C1/C(=O)Nc3ccc(F)cc31)cn2Cc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1	ZINC000653846187	562915187	/nfs/dbraw/zinc/91/51/87/562915187.db2.gz	BXMVTZIKFDBEHG-KSEKDWFKSA-N	0	0	719.679	3.177	1	10		KGCFRN
CC(=O)OC[C@H]1O[C@@H](n2cc(Cn3cc(/C=C4/C(=O)Nc5ccc(F)cc54)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000653846308	562915223	/nfs/dbraw/zinc/91/52/23/562915223.db2.gz	VOTJCVNHENRXHT-LCKRLSGVSA-N	0	0	689.653	3.169	1	10		KGCFRN
COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC(=O)c1cccnc1)-c1cc2c(cc1C3=O)OCO2	ZINC000653857551	562915800	/nfs/dbraw/zinc/91/58/00/562915800.db2.gz	VHDINJFKLCWLMC-UHFFFAOYSA-N	0	0	569.570	3.287	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](n3cc(COC(=O)[C@H](CC(C)C)n4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000653870709	562916371	/nfs/dbraw/zinc/91/63/71/562916371.db2.gz	ITEOLLRCFGSJKJ-YVHASNINSA-N	0	0	666.691	3.227	1	10		KGCFRN
Cc1cn([C@H]2C[C@H](n3cc(COC(=O)[C@H](Cc4ccccc4)n4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O	ZINC000653870776	562916454	/nfs/dbraw/zinc/91/64/54/562916454.db2.gz	YRLMFGUDTALJAH-SYQUUIDJSA-N	0	0	700.708	3.423	1	10		KGCFRN
COc1cc2c(cc1OC(=O)c1cccnc1)c1c(n(CCCN3CCOCC3)c2=O)-c2cc3c(cc2C1=O)OCO3	ZINC000653882239	562916791	/nfs/dbraw/zinc/91/67/91/562916791.db2.gz	BHRSXWWBUJDOLH-UHFFFAOYSA-N	0	0	569.570	3.287	1	10		KGCFRN
COc1ccc(C(=O)OCc2cn(C[C@H](O)Cn3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)nn2)cc1	ZINC000653891180	562917210	/nfs/dbraw/zinc/91/72/10/562917210.db2.gz	UWAMESHJNMLEBX-FQEVSTJZSA-N	0	0	536.544	3.231	1	10		KGCFRN
COc1ccc(C(=O)OCc2cn(C[C@@H](O)Cn3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)nn2)cc1	ZINC000653891181	562917235	/nfs/dbraw/zinc/91/72/35/562917235.db2.gz	UWAMESHJNMLEBX-HXUWFJFHSA-N	0	0	536.544	3.231	1	10		KGCFRN
NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000015937535	561753534	/nfs/dbraw/zinc/75/35/34/561753534.db2.gz	HRADMQMKGJQGRR-OAQYLSRUSA-N	0	0	522.993	3.245	3	10		KGCFRN
NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000015937537	561753525	/nfs/dbraw/zinc/75/35/25/561753525.db2.gz	HRADMQMKGJQGRR-NRFANRHFSA-N	0	0	522.993	3.245	3	10		KGCFRN
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)c1	ZINC000015937545	561753521	/nfs/dbraw/zinc/75/35/21/561753521.db2.gz	WZYRCZRIORHYMQ-QFIPXVFZSA-N	0	0	502.575	3.280	3	10		KGCFRN
Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)c1	ZINC000015937547	561753500	/nfs/dbraw/zinc/75/35/00/561753500.db2.gz	WZYRCZRIORHYMQ-JOCHJYFZSA-N	0	0	502.575	3.280	3	10		KGCFRN
NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000017577143	561756574	/nfs/dbraw/zinc/75/65/74/561756574.db2.gz	ZDVRYTDPVREXKO-HXUWFJFHSA-N	0	0	553.417	3.425	3	10		KGCFRN
NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000017577147	561756555	/nfs/dbraw/zinc/75/65/55/561756555.db2.gz	ZDVRYTDPVREXKO-FQEVSTJZSA-N	0	0	553.417	3.425	3	10		KGCFRN
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCN(c4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)c1	ZINC000038146237	562064947	/nfs/dbraw/zinc/06/49/47/562064947.db2.gz	JWYQSXGTGQLYKK-QHCPKHFHSA-N	0	0	551.575	3.424	3	10		KGCFRN
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCN(c4ccc(F)cc4)CC3)c([N+](=O)[O-])c2)c1	ZINC000038146238	562064942	/nfs/dbraw/zinc/06/49/42/562064942.db2.gz	JWYQSXGTGQLYKK-HSZRJFAPSA-N	0	0	551.575	3.424	3	10		KGCFRN
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)c1	ZINC000038146243	562065100	/nfs/dbraw/zinc/06/51/00/562065100.db2.gz	LORIRCNOFVIGQT-QHCPKHFHSA-N	0	0	533.585	3.285	3	10		KGCFRN
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)c1	ZINC000038146244	562065078	/nfs/dbraw/zinc/06/50/78/562065078.db2.gz	LORIRCNOFVIGQT-HSZRJFAPSA-N	0	0	533.585	3.285	3	10		KGCFRN
NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000038146251	562065088	/nfs/dbraw/zinc/06/50/88/562065088.db2.gz	CHBGQXFSNMMJGE-HXUWFJFHSA-N	0	0	553.417	3.425	3	10		KGCFRN
NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000038146252	562065070	/nfs/dbraw/zinc/06/50/70/562065070.db2.gz	CHBGQXFSNMMJGE-FQEVSTJZSA-N	0	0	553.417	3.425	3	10		KGCFRN
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000038146275	562065148	/nfs/dbraw/zinc/06/51/48/562065148.db2.gz	MYGBHTPJJOKLPX-OAQYLSRUSA-N	0	0	567.444	3.354	3	10		KGCFRN
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	ZINC000038146276	562065217	/nfs/dbraw/zinc/06/52/17/562065217.db2.gz	MYGBHTPJJOKLPX-NRFANRHFSA-N	0	0	567.444	3.354	3	10		KGCFRN
COc1ccc(N2CCN(c3cc(C(=O)Nc4cc(OC)c(OC)c(OC)c4)ncn3)CC2)cc1OC	ZINC000061898407	562702928	/nfs/dbraw/zinc/70/29/28/562702928.db2.gz	CUSZNQBLMRJPDQ-UHFFFAOYSA-N	0	0	509.563	3.099	3	10		KGCFRN