smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(-c2cccc(NS(=O)(=O)c3c(C)n[nH]c3C)c2)nn1	ZINC000005204297	204196568	/nfs/dbraw/zinc/19/65/68/204196568.db2.gz	PWQZMTVRXMIRPK-UHFFFAOYSA-N	0	2	373.438	2.683	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3cnc(Cl)c(C)c3)sc2C1	ZINC000117540237	250350792	/nfs/dbraw/zinc/35/07/92/250350792.db2.gz	VWCNNLUTKVJZSO-UHFFFAOYSA-N	0	2	372.903	2.679	10	0		FFAELN
C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000117589171	250352549	/nfs/dbraw/zinc/35/25/49/250352549.db2.gz	YDGFZMLSDARCNL-MEBBXXQBSA-N	0	2	355.419	2.508	10	0		FFAELN
Cc1ccc2c(n1)[nH]cc(C(=O)N(C)CCN(C)c1ccccc1)c2=O	ZINC000107775929	507866977	/nfs/dbraw/zinc/86/69/77/507866977.db2.gz	JUHWMGVSBBPZED-UHFFFAOYSA-N	0	2	350.422	2.852	10	0		FFAELN
CC(C)(C)OC(=O)N1CCC[C@@H]1CS(=O)(=O)c1nc2ccccc2[nH]1	ZINC000095085999	508173040	/nfs/dbraw/zinc/17/30/40/508173040.db2.gz	LRQPTVJJADCIHQ-GFCCVEGCSA-N	0	2	365.455	2.736	10	0		FFAELN
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1	ZINC000155226054	508952375	/nfs/dbraw/zinc/95/23/75/508952375.db2.gz	XYSHBLFMWCSPOM-MSOLQXFVSA-N	0	2	361.461	2.799	10	0		FFAELN
Cc1nc(C[C@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)C2)no1	ZINC000132541343	509042775	/nfs/dbraw/zinc/04/27/75/509042775.db2.gz	ZIUWWJRPSJNDDF-SNVBAGLBSA-N	0	2	353.781	2.971	10	0		FFAELN
COc1ccccc1C[C@H]1CCCN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000179462560	509455817	/nfs/dbraw/zinc/45/58/17/509455817.db2.gz	JZFNQUZOLVVGBD-CQSZACIVSA-N	0	2	366.421	2.530	10	0		FFAELN
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nn[nH]c2c1	ZINC000176733740	509664012	/nfs/dbraw/zinc/66/40/12/509664012.db2.gz	SCMDVUUJCDVCDA-SJCJKPOMSA-N	0	2	351.410	2.741	10	0		FFAELN
O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCC(c2cc[nH]n2)CC1	ZINC000194164643	510245125	/nfs/dbraw/zinc/24/51/25/510245125.db2.gz	UOJGKMZUWAMJHR-UHFFFAOYSA-N	0	2	371.828	2.974	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630643290	522981100	/nfs/dbraw/zinc/98/11/00/522981100.db2.gz	FUVWXMGARAFZPS-IAGOWNOFSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630643290	522981104	/nfs/dbraw/zinc/98/11/04/522981104.db2.gz	FUVWXMGARAFZPS-IAGOWNOFSA-N	0	2	372.396	2.891	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccccc2F)[N@@H+]1Cc1ccccc1	ZINC000630646551	522987020	/nfs/dbraw/zinc/98/70/20/522987020.db2.gz	XCXJXNKTVJVDBD-QZTJIDSGSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccccc2F)[N@H+]1Cc1ccccc1	ZINC000630646551	522987029	/nfs/dbraw/zinc/98/70/29/522987029.db2.gz	XCXJXNKTVJVDBD-QZTJIDSGSA-N	0	2	356.397	2.560	10	0		FFAELN
Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1O	ZINC000630650484	522993227	/nfs/dbraw/zinc/99/32/27/522993227.db2.gz	YRHXSVHZQPNFCV-DLBZAZTESA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1O	ZINC000630650484	522993237	/nfs/dbraw/zinc/99/32/37/522993237.db2.gz	YRHXSVHZQPNFCV-DLBZAZTESA-N	0	2	354.406	2.757	10	0		FFAELN
O=C(NC1CCN(c2ncccn2)CC1)c1ccc(Cl)c(Cl)c1O	ZINC000106458277	250271796	/nfs/dbraw/zinc/27/17/96/250271796.db2.gz	XRVIGIZWWWVERP-UHFFFAOYSA-N	0	2	367.236	2.888	10	0		FFAELN
Cc1cc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)on1	ZINC000106902254	250298223	/nfs/dbraw/zinc/29/82/23/250298223.db2.gz	VFCGQJDKNRVSIZ-UHFFFAOYSA-N	0	2	370.236	2.953	10	0		FFAELN
O=C(CNC(=O)c1c(O)cc(F)cc1F)Nc1cccc2cccnc21	ZINC000101672356	508253857	/nfs/dbraw/zinc/25/38/57/508253857.db2.gz	HKGAAYFCDDULCK-UHFFFAOYSA-N	0	2	357.316	2.587	10	0		FFAELN
O=C(N[C@@H]1CCOc2ccccc21)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000084382505	508276079	/nfs/dbraw/zinc/27/60/79/508276079.db2.gz	GZIOPBARSLIQPR-OAHLLOKOSA-N	0	2	353.353	2.971	10	0		FFAELN
Cc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000151527065	509036987	/nfs/dbraw/zinc/03/69/87/509036987.db2.gz	DRGUSVKSNOHHSU-GFCCVEGCSA-N	0	2	374.400	2.976	10	0		FFAELN
COc1ccc([C@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1	ZINC000179398683	509421333	/nfs/dbraw/zinc/42/13/33/509421333.db2.gz	GTPJYBRACHKJBM-MRXNPFEDSA-N	0	2	352.394	2.660	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC(Cc3cccc(F)c3)CC1)c2=O	ZINC000179437062	509441660	/nfs/dbraw/zinc/44/16/60/509441660.db2.gz	SUMFWJXCFSDYJL-UHFFFAOYSA-N	0	2	368.412	2.908	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@H](CSc3ccccc3)C1)c2=O	ZINC000179523814	509495825	/nfs/dbraw/zinc/49/58/25/509495825.db2.gz	PSYNOGAABHDNBA-ZDUSSCGKSA-N	0	2	368.462	2.928	10	0		FFAELN
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1	ZINC000248905241	509538049	/nfs/dbraw/zinc/53/80/49/509538049.db2.gz	UUVPKQXGNACHRH-YLJYHZDGSA-N	0	2	367.497	2.750	10	0		FFAELN
COC(=O)C[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1	ZINC000193917916	510126938	/nfs/dbraw/zinc/12/69/38/510126938.db2.gz	SUMXDFVQRJLBCX-LBPRGKRZSA-N	0	2	353.296	2.844	10	0		FFAELN
COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)o1	ZINC000190465874	510146973	/nfs/dbraw/zinc/14/69/73/510146973.db2.gz	SXWXLDMNRPMPPQ-CQSZACIVSA-N	0	2	363.483	2.785	10	0		FFAELN
COC(=O)c1coc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c1	ZINC000190466220	510147971	/nfs/dbraw/zinc/14/79/71/510147971.db2.gz	QWXDPXNHJJRRKD-AWEZNQCLSA-N	0	2	363.483	2.785	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@@H]1C[NH+]1CCOCC1	ZINC000174562583	510180409	/nfs/dbraw/zinc/18/04/09/510180409.db2.gz	KWIRQQXAGWQTJQ-LLVKDONJSA-N	0	2	359.253	2.636	10	0		FFAELN
CCn1cnnc1C1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1	ZINC000184391024	510300899	/nfs/dbraw/zinc/30/08/99/510300899.db2.gz	MNOOGKUDWNOMDG-UHFFFAOYSA-N	0	2	352.797	2.816	10	0		FFAELN
COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000246913399	510742011	/nfs/dbraw/zinc/74/20/11/510742011.db2.gz	SCYPAZUOGOJGFP-PXNSSMCTSA-N	0	2	371.525	2.602	10	0		FFAELN
CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C2	ZINC000247153300	510845788	/nfs/dbraw/zinc/84/57/88/510845788.db2.gz	YOTJMNNQWOYODW-CVEARBPZSA-N	0	2	361.534	2.732	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)[N@@H+]1Cc1ccccc1	ZINC000630644932	522984220	/nfs/dbraw/zinc/98/42/20/522984220.db2.gz	MWLKJWDZFBFOTM-ROUUACIJSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)[N@H+]1Cc1ccccc1	ZINC000630644932	522984222	/nfs/dbraw/zinc/98/42/22/522984222.db2.gz	MWLKJWDZFBFOTM-ROUUACIJSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)[N@@H+]1Cc1ccccc1	ZINC000630643945	522984518	/nfs/dbraw/zinc/98/45/18/522984518.db2.gz	IJMRDRQPUUPXFV-ROUUACIJSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)[N@H+]1Cc1ccccc1	ZINC000630643945	522984526	/nfs/dbraw/zinc/98/45/26/522984526.db2.gz	IJMRDRQPUUPXFV-ROUUACIJSA-N	0	2	366.417	2.678	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648217	522990166	/nfs/dbraw/zinc/99/01/66/522990166.db2.gz	FEESLXKAJPVOMN-CFVMTHIKSA-N	0	2	372.387	2.809	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648217	522990179	/nfs/dbraw/zinc/99/01/79/522990179.db2.gz	FEESLXKAJPVOMN-CFVMTHIKSA-N	0	2	372.387	2.809	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc3c2CCO3)[N@@H+]1Cc1ccccc1	ZINC000630652356	522996919	/nfs/dbraw/zinc/99/69/19/522996919.db2.gz	QLEOMOJASPQBHO-ZWKOTPCHSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc3c2CCO3)[N@H+]1Cc1ccccc1	ZINC000630652356	522996930	/nfs/dbraw/zinc/99/69/30/522996930.db2.gz	QLEOMOJASPQBHO-ZWKOTPCHSA-N	0	2	366.417	2.678	10	0		FFAELN
O=S(=O)(Nc1ncc(Br)s1)c1cccnc1Cl	ZINC000037436489	205025804	/nfs/dbraw/zinc/02/58/04/205025804.db2.gz	SWVIKRTVYCARIS-UHFFFAOYSA-N	0	2	354.638	2.755	10	0		FFAELN
O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCCC[C@@H]1c1cn[nH]c1	ZINC000127383303	508442654	/nfs/dbraw/zinc/44/26/54/508442654.db2.gz	YCMGXINTEPGOCY-OAHLLOKOSA-N	0	2	355.373	2.808	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000186823829	509906504	/nfs/dbraw/zinc/90/65/04/509906504.db2.gz	AXGFVBZTLCIYMC-UHFFFAOYSA-N	0	2	359.332	2.774	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(C)c(F)c3)sc2C1	ZINC000171146894	509968194	/nfs/dbraw/zinc/96/81/94/509968194.db2.gz	FABIRKOYJKCIDD-UHFFFAOYSA-N	0	2	355.460	2.769	10	0		FFAELN
COC(=O)c1oc([C@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C	ZINC000180614593	510014467	/nfs/dbraw/zinc/01/44/67/510014467.db2.gz	ADWNFMLLSXOCCW-INIZCTEOSA-N	0	2	374.485	2.729	10	0		FFAELN
COC(=O)C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1	ZINC000193917931	510127292	/nfs/dbraw/zinc/12/72/92/510127292.db2.gz	SUMXDFVQRJLBCX-GFCCVEGCSA-N	0	2	353.296	2.844	10	0		FFAELN
C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nc2c[nH]cnc-2n1	ZINC000187481314	510292925	/nfs/dbraw/zinc/29/29/25/510292925.db2.gz	DZRDQBCSBDWYEO-SNVBAGLBSA-N	0	2	355.379	2.543	10	0		FFAELN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)C2)n1	ZINC000194720558	510494399	/nfs/dbraw/zinc/49/43/99/510494399.db2.gz	SCYAVRJMPHELDR-LBPRGKRZSA-N	0	2	366.824	2.945	10	0		FFAELN
COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC	ZINC000246529602	510538881	/nfs/dbraw/zinc/53/88/81/510538881.db2.gz	JIKLWHSPPKLGMB-MAUKXSAKSA-N	0	2	373.497	2.591	10	0		FFAELN
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCOC)nc2)C1	ZINC000191343879	510614358	/nfs/dbraw/zinc/61/43/58/510614358.db2.gz	FMXWZJNBRJFQJH-GOSISDBHSA-N	0	2	357.502	2.760	10	0		FFAELN
CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1	ZINC000247635103	510867531	/nfs/dbraw/zinc/86/75/31/510867531.db2.gz	UCIWGEJDNOLCAZ-IHPCNDPISA-N	0	2	367.497	2.895	10	0		FFAELN
O=C(c1cc(Br)cc(Cl)c1O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000408410834	513062044	/nfs/dbraw/zinc/06/20/44/513062044.db2.gz	ZZHIXIZIRAICMR-KOLSJAJHSA-N	0	2	360.635	2.651	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)[N@@H+]1Cc1ccccc1	ZINC000630650657	522991476	/nfs/dbraw/zinc/99/14/76/522991476.db2.gz	QBOJVXLZIBSCRC-SPOLIRPYSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)[N@H+]1Cc1ccccc1	ZINC000630650657	522991482	/nfs/dbraw/zinc/99/14/82/522991482.db2.gz	QBOJVXLZIBSCRC-SPOLIRPYSA-N	0	2	356.466	2.657	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672663	523036996	/nfs/dbraw/zinc/03/69/96/523036996.db2.gz	NNSVLIFZFMFFSM-ZIAGYGMSSA-N	0	2	358.360	2.515	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672663	523036997	/nfs/dbraw/zinc/03/69/97/523036997.db2.gz	NNSVLIFZFMFFSM-ZIAGYGMSSA-N	0	2	358.360	2.515	10	0		FFAELN
Cc1nn(C)c(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1Br	ZINC000692435518	976475080	/nfs/dbraw/zinc/47/50/80/976475080.db2.gz	AKHCLFDWVHYFOA-UHFFFAOYSA-N	0	2	366.259	2.968	10	0		FFAELN
Cc1nn(C)c(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1Br	ZINC000692435518	976475085	/nfs/dbraw/zinc/47/50/85/976475085.db2.gz	AKHCLFDWVHYFOA-UHFFFAOYSA-N	0	2	366.259	2.968	10	0		FFAELN
C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000117589174	250352840	/nfs/dbraw/zinc/35/28/40/250352840.db2.gz	YDGFZMLSDARCNL-ZUZCIYMTSA-N	0	2	355.419	2.508	10	0		FFAELN
C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000117589169	250353331	/nfs/dbraw/zinc/35/33/31/250353331.db2.gz	YDGFZMLSDARCNL-BONVTDFDSA-N	0	2	355.419	2.508	10	0		FFAELN
COc1cccc(N2CC[C@H](CNC(=O)c3c(O)cc(F)cc3F)C2)c1	ZINC000102484538	508276511	/nfs/dbraw/zinc/27/65/11/508276511.db2.gz	PKHWFXPUCXJIPD-GFCCVEGCSA-N	0	2	362.376	2.935	10	0		FFAELN
Cc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000151526992	509036848	/nfs/dbraw/zinc/03/68/48/509036848.db2.gz	DRGUSVKSNOHHSU-LBPRGKRZSA-N	0	2	374.400	2.976	10	0		FFAELN
Cc1ccc(C[C@@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1	ZINC000132711189	509065842	/nfs/dbraw/zinc/06/58/42/509065842.db2.gz	GKSZDYGFOHOTCR-HNNXBMFYSA-N	0	2	350.422	2.830	10	0		FFAELN
C[C@@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)CC[C@@H]1c1ccccc1	ZINC000132768998	509072998	/nfs/dbraw/zinc/07/29/98/509072998.db2.gz	QCYGQKMEHSFWCU-HIFRSBDPSA-N	0	2	350.422	2.940	10	0		FFAELN
C[C@@H](C1CC1)N(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1	ZINC000248649042	509414945	/nfs/dbraw/zinc/41/49/45/509414945.db2.gz	KJDCFQAPUHPERF-HKUYNNGSSA-N	0	2	370.541	2.625	10	0		FFAELN
Cc1noc([C@@H]2COCCN2C(=O)c2ccc(Cl)c(Cl)c2O)n1	ZINC000186612813	509801971	/nfs/dbraw/zinc/80/19/71/509801971.db2.gz	CZPRXVIOINJOHY-JTQLQIEISA-N	0	2	358.181	2.604	10	0		FFAELN
C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180654267	510036803	/nfs/dbraw/zinc/03/68/03/510036803.db2.gz	GVUSBLPFJUQLFH-HNNXBMFYSA-N	0	2	369.469	2.681	10	0		FFAELN
CCc1nn(C)c(CC)c1CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2	ZINC000190663115	510269584	/nfs/dbraw/zinc/26/95/84/510269584.db2.gz	FJRFVFFAWGJDQE-ZDUSSCGKSA-N	0	2	357.454	2.736	10	0		FFAELN
CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)CC2	ZINC000178223921	510497401	/nfs/dbraw/zinc/49/74/01/510497401.db2.gz	OYBHXWBBVYGBIE-SNVBAGLBSA-N	0	2	352.797	2.644	10	0		FFAELN
COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000246913389	510740412	/nfs/dbraw/zinc/74/04/12/510740412.db2.gz	SCYPAZUOGOJGFP-FXAWDEMLSA-N	0	2	371.525	2.602	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1CC(=O)c1cccs1)c2=O	ZINC000182127668	510770233	/nfs/dbraw/zinc/77/02/33/510770233.db2.gz	JWYZPYCOMQPNNO-LLVKDONJSA-N	0	2	370.434	2.613	10	0		FFAELN
CC(C)Cc1[nH+]c2n(c1C(=O)[O-])CCN(C(=O)OCc1ccccc1)C2	ZINC000536952338	516990589	/nfs/dbraw/zinc/99/05/89/516990589.db2.gz	BUGLETRTEIWZER-UHFFFAOYSA-N	0	2	357.410	2.932	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630643292	522981116	/nfs/dbraw/zinc/98/11/16/522981116.db2.gz	FUVWXMGARAFZPS-SJORKVTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630643292	522981126	/nfs/dbraw/zinc/98/11/26/522981126.db2.gz	FUVWXMGARAFZPS-SJORKVTESA-N	0	2	372.396	2.891	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648221	522988052	/nfs/dbraw/zinc/98/80/52/522988052.db2.gz	FEESLXKAJPVOMN-QEJZJMRPSA-N	0	2	372.387	2.809	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648221	522988064	/nfs/dbraw/zinc/98/80/64/522988064.db2.gz	FEESLXKAJPVOMN-QEJZJMRPSA-N	0	2	372.387	2.809	10	0		FFAELN
CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C12CCOCC2	ZINC000192503683	251278660	/nfs/dbraw/zinc/27/86/60/251278660.db2.gz	IDMSYGLIYOCAFQ-UONOGXRCSA-N	0	2	357.809	2.889	10	0		FFAELN
O=S(=O)(Nc1cccc(-c2ncon2)c1)c1ccc(F)c(F)c1F	ZINC000158762018	508749546	/nfs/dbraw/zinc/74/95/46/508749546.db2.gz	MGTGBAZZJIMDRQ-UHFFFAOYSA-N	0	2	355.297	2.955	10	0		FFAELN
C[C@@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)CC[C@H]1c1ccccc1	ZINC000132769396	509072560	/nfs/dbraw/zinc/07/25/60/509072560.db2.gz	QCYGQKMEHSFWCU-UKRRQHHQSA-N	0	2	350.422	2.940	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@H](Oc3ccccc3Cl)C1)c2=O	ZINC000132846312	509082252	/nfs/dbraw/zinc/08/22/52/509082252.db2.gz	BUVBJVBOZYYJJJ-NSHDSACASA-N	0	2	372.812	2.621	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCO[C@H](c3ccc(Cl)cc3)C1)c2=O	ZINC000179442241	509445551	/nfs/dbraw/zinc/44/55/51/509445551.db2.gz	XTMIWZHKVWDHLJ-HNNXBMFYSA-N	0	2	372.812	2.541	10	0		FFAELN
CCc1nc(C2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)n[nH]1	ZINC000190660939	510267158	/nfs/dbraw/zinc/26/71/58/510267158.db2.gz	IZTFOPBHXDGQHL-GJZGRUSLSA-N	0	2	355.486	2.812	10	0		FFAELN
O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000408409146	513061995	/nfs/dbraw/zinc/06/19/95/513061995.db2.gz	UGLXEIUGSGCMBU-GLQYFDAESA-N	0	2	357.809	2.577	10	0		FFAELN
COc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644799	522983387	/nfs/dbraw/zinc/98/33/87/522983387.db2.gz	LZNRAAWRFHQBET-DLBZAZTESA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644799	522983394	/nfs/dbraw/zinc/98/33/94/522983394.db2.gz	LZNRAAWRFHQBET-DLBZAZTESA-N	0	2	354.406	2.752	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630675876	523038365	/nfs/dbraw/zinc/03/83/65/523038365.db2.gz	VUVDYZBCUSAKEV-LSDHHAIUSA-N	0	2	372.387	2.905	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630675876	523038370	/nfs/dbraw/zinc/03/83/70/523038370.db2.gz	VUVDYZBCUSAKEV-LSDHHAIUSA-N	0	2	372.387	2.905	10	0		FFAELN
Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1	ZINC000134297068	728729604	/nfs/dbraw/zinc/72/96/04/728729604.db2.gz	FTYVSRJXNKDXHI-QMTHXVAHSA-N	0	2	367.808	2.504	10	0		FFAELN
O=S(=O)(Nc1ncc(Br)s1)c1ccnc(Cl)c1	ZINC000038008759	205036772	/nfs/dbraw/zinc/03/67/72/205036772.db2.gz	YRUBYUFIYGUUHH-UHFFFAOYSA-N	0	2	354.638	2.755	10	0		FFAELN
C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000117589166	250352287	/nfs/dbraw/zinc/35/22/87/250352287.db2.gz	YDGFZMLSDARCNL-BMIGLBTASA-N	0	2	355.419	2.508	10	0		FFAELN
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1nccs1	ZINC000001482432	506264745	/nfs/dbraw/zinc/26/47/45/506264745.db2.gz	NACAADVHQHZGOW-ZDUSSCGKSA-N	0	2	363.464	2.552	10	0		FFAELN
C[C@H](C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)c1nc2ccccc2[nH]1	ZINC000047940242	507420330	/nfs/dbraw/zinc/42/03/30/507420330.db2.gz	ZKPHYTXQSLAUHP-QWHCGFSZSA-N	0	2	357.435	2.603	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1Cc1cccc(F)c1)c2=O	ZINC000179457277	509454349	/nfs/dbraw/zinc/45/43/49/509454349.db2.gz	YKNJHJKJRYLVJW-CQSZACIVSA-N	0	2	354.385	2.660	10	0		FFAELN
Cc1cccc(NC2CCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)CC2)c1	ZINC000179514481	509490150	/nfs/dbraw/zinc/49/01/50/509490150.db2.gz	KLCXFGKDILZIEO-UHFFFAOYSA-N	0	2	365.437	2.699	10	0		FFAELN
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCOc2ccccc21	ZINC000193975503	510157643	/nfs/dbraw/zinc/15/76/43/510157643.db2.gz	QWXZINDIXFGUQG-GFCCVEGCSA-N	0	2	370.434	2.650	10	0		FFAELN
CCn1c(=O)c2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2[nH]c1=S	ZINC000195014406	510632631	/nfs/dbraw/zinc/63/26/31/510632631.db2.gz	QXLAXIOQQODTCM-OAHLLOKOSA-N	0	2	367.430	2.569	10	0		FFAELN
Cc1ccc([C@@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)o1	ZINC000185074328	510668980	/nfs/dbraw/zinc/66/89/80/510668980.db2.gz	GFZYWLBWBUZIFE-CYBMUJFWSA-N	0	2	355.398	2.846	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)F	ZINC000630647709	522988963	/nfs/dbraw/zinc/98/89/63/522988963.db2.gz	CBHDKEICYZQXNE-AEGPPILISA-N	0	2	354.397	2.512	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)F	ZINC000630647709	522988969	/nfs/dbraw/zinc/98/89/69/522988969.db2.gz	CBHDKEICYZQXNE-AEGPPILISA-N	0	2	354.397	2.512	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000630647627	522990520	/nfs/dbraw/zinc/99/05/20/522990520.db2.gz	LQGASKMHCWDKTQ-IAGOWNOFSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000630647627	522990527	/nfs/dbraw/zinc/99/05/27/522990527.db2.gz	LQGASKMHCWDKTQ-IAGOWNOFSA-N	0	2	372.396	2.891	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC(N2CCCC2=O)CC1	ZINC000106918234	250300024	/nfs/dbraw/zinc/30/00/24/250300024.db2.gz	UMLPWWXEYHPMJS-UHFFFAOYSA-N	0	2	357.237	2.926	10	0		FFAELN
CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)c2nc3ccccc3[nH]2)C1	ZINC000095084860	508172589	/nfs/dbraw/zinc/17/25/89/508172589.db2.gz	IDMILIWBBVBLOQ-LBPRGKRZSA-N	0	2	365.455	2.736	10	0		FFAELN
COC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccccc1	ZINC000131393820	508925656	/nfs/dbraw/zinc/92/56/56/508925656.db2.gz	GPDXMEUGKFPLDF-CYBMUJFWSA-N	0	2	357.790	2.672	10	0		FFAELN
O=C(c1c(O)cnc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	ZINC000179474107	509464382	/nfs/dbraw/zinc/46/43/82/509464382.db2.gz	IQSVNBGTBCWPDT-ZDUSSCGKSA-N	0	2	363.421	2.956	10	0		FFAELN
C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(Cl)c(Cl)c1O)C1CC1	ZINC000179571243	509519369	/nfs/dbraw/zinc/51/93/69/509519369.db2.gz	OTCWLPYKCVRQOS-QMMMGPOBSA-N	0	2	366.266	2.737	10	0		FFAELN
CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(Cl)c(Cl)c1O	ZINC000179649289	509554223	/nfs/dbraw/zinc/55/42/23/509554223.db2.gz	YGIGIDLSWMPZQV-UHFFFAOYSA-N	0	2	354.255	2.642	10	0		FFAELN
Cc1noc([C@H]2COCCN2C(=O)c2ccc(Cl)c(Cl)c2O)n1	ZINC000186612832	509801886	/nfs/dbraw/zinc/80/18/86/509801886.db2.gz	CZPRXVIOINJOHY-SNVBAGLBSA-N	0	2	358.181	2.604	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(OC)c(C)c3)sc2C1	ZINC000171146940	509969449	/nfs/dbraw/zinc/96/94/49/509969449.db2.gz	OYRKGCAITAVOMO-UHFFFAOYSA-N	0	2	367.496	2.639	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCSC[C@H]1c1ccccc1)c2=O	ZINC000182016625	510712077	/nfs/dbraw/zinc/71/20/77/510712077.db2.gz	RDSTWVIJGIRMPF-HNNXBMFYSA-N	0	2	354.435	2.604	10	0		FFAELN
CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1	ZINC000247635105	510867460	/nfs/dbraw/zinc/86/74/60/510867460.db2.gz	UCIWGEJDNOLCAZ-SXLOBPIMSA-N	0	2	367.497	2.895	10	0		FFAELN
CC1(C)CCC[C@@H](C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)C1	ZINC000408194707	513018877	/nfs/dbraw/zinc/01/88/77/513018877.db2.gz	IOXZEZGPCVYUPV-LLVKDONJSA-N	0	2	371.528	2.616	10	0		FFAELN
CCOC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCC1	ZINC000630647580	522987874	/nfs/dbraw/zinc/98/78/74/522987874.db2.gz	BMVHJANZYGTQTR-ZWKOTPCHSA-N	0	2	374.481	2.570	10	0		FFAELN
CCOC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCC1	ZINC000630647580	522987880	/nfs/dbraw/zinc/98/78/80/522987880.db2.gz	BMVHJANZYGTQTR-ZWKOTPCHSA-N	0	2	374.481	2.570	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc3c2CCO3)[N@@H+]1Cc1ccccc1	ZINC000630652354	522994485	/nfs/dbraw/zinc/99/44/85/522994485.db2.gz	QLEOMOJASPQBHO-QZTJIDSGSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc3c2CCO3)[N@H+]1Cc1ccccc1	ZINC000630652354	522994496	/nfs/dbraw/zinc/99/44/96/522994496.db2.gz	QLEOMOJASPQBHO-QZTJIDSGSA-N	0	2	366.417	2.678	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630658750	523006679	/nfs/dbraw/zinc/00/66/79/523006679.db2.gz	OSGZGFASXCSWNJ-HUUCEWRRSA-N	0	2	354.397	2.608	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630658750	523006685	/nfs/dbraw/zinc/00/66/85/523006685.db2.gz	OSGZGFASXCSWNJ-HUUCEWRRSA-N	0	2	354.397	2.608	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2Cc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630657657	523009010	/nfs/dbraw/zinc/00/90/10/523009010.db2.gz	PQYMMGILWBNIIZ-IHPCNDPISA-N	0	2	364.445	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2Cc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630657657	523009015	/nfs/dbraw/zinc/00/90/15/523009015.db2.gz	PQYMMGILWBNIIZ-IHPCNDPISA-N	0	2	364.445	2.560	10	0		FFAELN
C[C@@H](c1ccccc1)[N@H+](CCS(=O)(=O)CC(=O)[O-])Cc1ccccc1	ZINC000262294317	729663193	/nfs/dbraw/zinc/66/31/93/729663193.db2.gz	IGHNRTCOWOOFSY-INIZCTEOSA-N	0	2	361.463	2.749	10	0		FFAELN
C[C@@H](c1ccccc1)[N@@H+](CCS(=O)(=O)CC(=O)[O-])Cc1ccccc1	ZINC000262294317	729663194	/nfs/dbraw/zinc/66/31/94/729663194.db2.gz	IGHNRTCOWOOFSY-INIZCTEOSA-N	0	2	361.463	2.749	10	0		FFAELN
CC(=O)c1ccc(S(=O)(=O)Nc2ncc(Br)s2)cc1	ZINC000037652528	205029089	/nfs/dbraw/zinc/02/90/89/205029089.db2.gz	VDENJPSSCKSJSB-UHFFFAOYSA-N	0	2	361.242	2.909	10	0		FFAELN
O=C(Nc1ccc(-n2cncn2)nc1)c1ccc(Cl)c(Cl)c1O	ZINC000106904414	507827185	/nfs/dbraw/zinc/82/71/85/507827185.db2.gz	ZSECPGUACVZUHZ-UHFFFAOYSA-N	0	2	350.165	2.927	10	0		FFAELN
C[C@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)CC[C@H]1c1ccccc1	ZINC000132769597	509072968	/nfs/dbraw/zinc/07/29/68/509072968.db2.gz	QCYGQKMEHSFWCU-DZGCQCFKSA-N	0	2	350.422	2.940	10	0		FFAELN
CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCCn4ncnc43)=N2)cc1	ZINC000176323128	509445146	/nfs/dbraw/zinc/44/51/46/509445146.db2.gz	PBAGMGLZFKEHKO-OAHLLOKOSA-N	0	2	366.425	2.558	10	0		FFAELN
Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H]3c3cnn(C)c3)c2cc1C	ZINC000245843867	510165706	/nfs/dbraw/zinc/16/57/06/510165706.db2.gz	HWILLNZNAGOVQG-MJGOQNOKSA-N	0	2	353.470	2.585	10	0		FFAELN
O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1C(F)(F)F	ZINC000262910285	510470837	/nfs/dbraw/zinc/47/08/37/510470837.db2.gz	FOHHHRIHCIYELL-HTQZYQBOSA-N	0	2	374.344	2.546	10	0		FFAELN
O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2cccc3c2N=S=N3)C[C@H]1C(F)(F)F	ZINC000262910285	510470846	/nfs/dbraw/zinc/47/08/46/510470846.db2.gz	FOHHHRIHCIYELL-HTQZYQBOSA-N	0	2	374.344	2.546	10	0		FFAELN
CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000246928988	510751637	/nfs/dbraw/zinc/75/16/37/510751637.db2.gz	SXUYGLLMVCMRLQ-JXFKEZNVSA-N	0	2	370.497	2.532	10	0		FFAELN
CCn1cc([C@@H]2CN(C(=O)c3c[nH]c4c(C)cccc4c3=O)CCO2)cn1	ZINC000191786787	510830224	/nfs/dbraw/zinc/83/02/24/510830224.db2.gz	LLAPFQFAIYOKSG-KRWDZBQOSA-N	0	2	366.421	2.679	10	0		FFAELN
Cc1nc(=Nc2cc(S(=O)(=O)c3ccccc3)cc(Cl)n2)s[nH]1	ZINC000584628378	518416675	/nfs/dbraw/zinc/41/66/75/518416675.db2.gz	MAJWCJAUBIWSCF-UHFFFAOYSA-N	0	2	366.855	2.893	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2cc(F)ccc2F)[N@@H+]1Cc1ccccc1	ZINC000630644489	522984882	/nfs/dbraw/zinc/98/48/82/522984882.db2.gz	BLWYCICRTGAVQX-ROUUACIJSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2cc(F)ccc2F)[N@H+]1Cc1ccccc1	ZINC000630644489	522984891	/nfs/dbraw/zinc/98/48/91/522984891.db2.gz	BLWYCICRTGAVQX-ROUUACIJSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630653358	522998081	/nfs/dbraw/zinc/99/80/81/522998081.db2.gz	KFIDKUAEBDGCPP-UFYCRDLUSA-N	0	2	364.445	2.908	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630653358	522998092	/nfs/dbraw/zinc/99/80/92/522998092.db2.gz	KFIDKUAEBDGCPP-UFYCRDLUSA-N	0	2	364.445	2.908	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654365	523003436	/nfs/dbraw/zinc/00/34/36/523003436.db2.gz	BEWGBXRPWPAMQT-QZTJIDSGSA-N	0	2	356.422	2.746	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654365	523003444	/nfs/dbraw/zinc/00/34/44/523003444.db2.gz	BEWGBXRPWPAMQT-QZTJIDSGSA-N	0	2	356.422	2.746	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672625	523033424	/nfs/dbraw/zinc/03/34/24/523033424.db2.gz	NHUQWTCFJLTIIG-IAGOWNOFSA-N	0	2	358.463	2.824	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672625	523033432	/nfs/dbraw/zinc/03/34/32/523033432.db2.gz	NHUQWTCFJLTIIG-IAGOWNOFSA-N	0	2	358.463	2.824	10	0		FFAELN
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(O)cc(F)cc1F	ZINC000109702246	728528627	/nfs/dbraw/zinc/52/86/27/728528627.db2.gz	OOVXIVYAMUCVLM-SNVBAGLBSA-N	0	2	356.369	2.752	10	0		FFAELN
COc1ccc(C(O)=CC(=O)c2ccc(OC)c(OC)c2O)cc1OC	ZINC000137208571	508744138	/nfs/dbraw/zinc/74/41/38/508744138.db2.gz	XWKCJXCTNMEWGO-UHFFFAOYSA-N	0	2	360.362	2.882	10	0		FFAELN
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1	ZINC000247874031	509182598	/nfs/dbraw/zinc/18/25/98/509182598.db2.gz	YEQUUIHBEGZHOT-RTBURBONSA-N	0	2	373.497	2.669	10	0		FFAELN
Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)n[nH]1	ZINC000189712792	509716258	/nfs/dbraw/zinc/71/62/58/509716258.db2.gz	HTOBCGXSXDWYKG-UHFFFAOYSA-N	0	2	355.225	2.693	10	0		FFAELN
Cc1ccc(S(=O)(=O)Nc2cccc(-c3ncon3)c2)c(Cl)n1	ZINC000193322984	509866629	/nfs/dbraw/zinc/86/66/29/509866629.db2.gz	KJYYTEGUILENTC-UHFFFAOYSA-N	0	2	350.787	2.894	10	0		FFAELN
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ncc(F)cc3F)C[C@@H]21	ZINC000190661649	510268735	/nfs/dbraw/zinc/26/87/35/510268735.db2.gz	XVKIFGODZCXOIM-VHRBIJSZSA-N	0	2	367.396	2.735	10	0		FFAELN
O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCCC[C@H]1c1nc[nH]n1	ZINC000194440154	510366856	/nfs/dbraw/zinc/36/68/56/510366856.db2.gz	NIQHSGFPBFKYPH-ZDUSSCGKSA-N	0	2	372.816	2.717	10	0		FFAELN
Cc1noc([C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3O)CCN2C)n1	ZINC000284612061	511793581	/nfs/dbraw/zinc/79/35/81/511793581.db2.gz	KKARESVXSLXNNC-LLVKDONJSA-N	0	2	371.224	2.519	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@@H+]1Cc1ccccc1	ZINC000630644438	522983356	/nfs/dbraw/zinc/98/33/56/522983356.db2.gz	KDFFIKFTLWEVHH-QZTJIDSGSA-N	0	2	364.405	2.619	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@H+]1Cc1ccccc1	ZINC000630644438	522983364	/nfs/dbraw/zinc/98/33/64/522983364.db2.gz	KDFFIKFTLWEVHH-QZTJIDSGSA-N	0	2	364.405	2.619	10	0		FFAELN
CC[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630644884	522984630	/nfs/dbraw/zinc/98/46/30/522984630.db2.gz	CYEDBMUJXYKDTC-JYJNAYRXSA-N	0	2	373.478	2.828	10	0		FFAELN
CC[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630644884	522984640	/nfs/dbraw/zinc/98/46/40/522984640.db2.gz	CYEDBMUJXYKDTC-JYJNAYRXSA-N	0	2	373.478	2.828	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649333	522993198	/nfs/dbraw/zinc/99/31/98/522993198.db2.gz	IRVKTRIZZWUPEX-ZWKOTPCHSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649333	522993208	/nfs/dbraw/zinc/99/32/08/522993208.db2.gz	IRVKTRIZZWUPEX-ZWKOTPCHSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1csc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630650672	522993747	/nfs/dbraw/zinc/99/37/47/522993747.db2.gz	QDRWPHIRASKWEY-IRXDYDNUSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1csc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630650672	522993755	/nfs/dbraw/zinc/99/37/55/522993755.db2.gz	QDRWPHIRASKWEY-IRXDYDNUSA-N	0	2	358.463	2.791	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCCc3occc32)[N@@H+]1Cc1ccccc1	ZINC000630660531	523015335	/nfs/dbraw/zinc/01/53/35/523015335.db2.gz	XWBGAFUISGNHNZ-KSZLIROESA-N	0	2	368.433	2.891	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCCc3occc32)[N@H+]1Cc1ccccc1	ZINC000630660531	523015345	/nfs/dbraw/zinc/01/53/45/523015345.db2.gz	XWBGAFUISGNHNZ-KSZLIROESA-N	0	2	368.433	2.891	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCc3ccsc3C2)[N@@H+]1Cc1ccccc1	ZINC000630662724	523018699	/nfs/dbraw/zinc/01/86/99/523018699.db2.gz	FVECRPBYHHWKPT-DLBZAZTESA-N	0	2	370.474	2.751	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCc3ccsc3C2)[N@H+]1Cc1ccccc1	ZINC000630662724	523018711	/nfs/dbraw/zinc/01/87/11/523018711.db2.gz	FVECRPBYHHWKPT-DLBZAZTESA-N	0	2	370.474	2.751	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672661	523036435	/nfs/dbraw/zinc/03/64/35/523036435.db2.gz	NNSVLIFZFMFFSM-KGLIPLIRSA-N	0	2	358.360	2.515	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672661	523036438	/nfs/dbraw/zinc/03/64/38/523036438.db2.gz	NNSVLIFZFMFFSM-KGLIPLIRSA-N	0	2	358.360	2.515	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630674481	523040064	/nfs/dbraw/zinc/04/00/64/523040064.db2.gz	SZFODXKNIDHHHH-GJZGRUSLSA-N	0	2	354.397	2.606	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630674481	523040078	/nfs/dbraw/zinc/04/00/78/523040078.db2.gz	SZFODXKNIDHHHH-GJZGRUSLSA-N	0	2	354.397	2.606	10	0		FFAELN
O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1	ZINC000106457852	250271395	/nfs/dbraw/zinc/27/13/95/250271395.db2.gz	DFAZYKQGTTXNFP-UHFFFAOYSA-N	0	2	369.204	2.890	10	0		FFAELN
CCOc1ccc(Nc2[nH+]cnc(N3CCC(C(=O)[O-])CC3)c2N)cc1	ZINC000040782743	132949239	/nfs/dbraw/zinc/94/92/39/132949239.db2.gz	NITGOUUXGODKOR-UHFFFAOYSA-N	0	2	357.414	2.502	10	0		FFAELN
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nccs1	ZINC000003788947	506350011	/nfs/dbraw/zinc/35/00/11/506350011.db2.gz	NACAADVHQHZGOW-CYBMUJFWSA-N	0	2	363.464	2.552	10	0		FFAELN
COC(=O)c1cccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)c1C	ZINC000108759543	507916364	/nfs/dbraw/zinc/91/63/64/507916364.db2.gz	HFISWPDLIGMQDZ-LBPRGKRZSA-N	0	2	363.439	2.750	10	0		FFAELN
CN(C(=O)c1cc(F)cc(Cl)c1O)[C@H]1CCCN(c2cccnn2)C1	ZINC000152485786	508455986	/nfs/dbraw/zinc/45/59/86/508455986.db2.gz	CCLIUDLYLCXBLA-LBPRGKRZSA-N	0	2	364.808	2.716	10	0		FFAELN
Cc1ccc([C@@H]2CN(C(=O)c3c[nH]c4nc(C)ccc4c3=O)CCO2)o1	ZINC000154276425	508750251	/nfs/dbraw/zinc/75/02/51/508750251.db2.gz	GSVWEICXFUGXIS-INIZCTEOSA-N	0	2	353.378	2.759	10	0		FFAELN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(F)c(F)c(O)c3F)C2)n1	ZINC000182705719	509382082	/nfs/dbraw/zinc/38/20/82/509382082.db2.gz	LZZRPMPBSGTXAF-NSHDSACASA-N	0	2	368.359	2.570	10	0		FFAELN
CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1	ZINC000182899248	509483117	/nfs/dbraw/zinc/48/31/17/509483117.db2.gz	LIPSOWIJDKWMLF-NRFANRHFSA-N	0	2	373.541	2.890	10	0		FFAELN
C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(Cl)c(Cl)c1O)C1CC1	ZINC000179571255	509519437	/nfs/dbraw/zinc/51/94/37/509519437.db2.gz	OTCWLPYKCVRQOS-MRVPVSSYSA-N	0	2	366.266	2.737	10	0		FFAELN
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1	ZINC000190477306	510154729	/nfs/dbraw/zinc/15/47/29/510154729.db2.gz	TVQGVUCUCQIEFS-SFHVURJKSA-N	0	2	362.481	2.821	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCC[C@H]1C[NH+]1CCOCC1	ZINC000174562595	510181455	/nfs/dbraw/zinc/18/14/55/510181455.db2.gz	KWIRQQXAGWQTJQ-NSHDSACASA-N	0	2	359.253	2.636	10	0		FFAELN
C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cc[nH+]c(N2CCCCCC2)c1	ZINC000184441324	510326717	/nfs/dbraw/zinc/32/67/17/510326717.db2.gz	XOMOEXYFEAJBPF-GFCCVEGCSA-N	0	2	365.421	2.832	10	0		FFAELN
O=C(c1cc(Cl)cc(Br)c1O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000408410532	513062125	/nfs/dbraw/zinc/06/21/25/513062125.db2.gz	TVDSEHRAFVWHIC-KOLSJAJHSA-N	0	2	360.635	2.651	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644836	522983826	/nfs/dbraw/zinc/98/38/26/522983826.db2.gz	CQJFTJARUOJRLU-ZLIFDBKOSA-N	0	2	371.437	2.586	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644836	522983832	/nfs/dbraw/zinc/98/38/32/522983832.db2.gz	CQJFTJARUOJRLU-ZLIFDBKOSA-N	0	2	371.437	2.586	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630657659	523006753	/nfs/dbraw/zinc/00/67/53/523006753.db2.gz	PQYMMGILWBNIIZ-SXLOBPIMSA-N	0	2	364.445	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2Cc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630657659	523006761	/nfs/dbraw/zinc/00/67/61/523006761.db2.gz	PQYMMGILWBNIIZ-SXLOBPIMSA-N	0	2	364.445	2.560	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630663631	523023207	/nfs/dbraw/zinc/02/32/07/523023207.db2.gz	BLVNLPLWSYLNAO-OALUTQOASA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630663631	523023215	/nfs/dbraw/zinc/02/32/15/523023215.db2.gz	BLVNLPLWSYLNAO-OALUTQOASA-N	0	2	368.433	2.776	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630668195	523028319	/nfs/dbraw/zinc/02/83/19/523028319.db2.gz	GOZLAWHNABUTGE-QZTJIDSGSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630668195	523028329	/nfs/dbraw/zinc/02/83/29/523028329.db2.gz	GOZLAWHNABUTGE-QZTJIDSGSA-N	0	2	356.422	2.664	10	0		FFAELN
Cn1cc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c(Br)n1	ZINC000712431759	977582860	/nfs/dbraw/zinc/58/28/60/977582860.db2.gz	QJMBHOURRUWTKY-UHFFFAOYSA-N	0	2	352.232	2.660	10	0		FFAELN
Cn1cc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c(Br)n1	ZINC000712431759	977582864	/nfs/dbraw/zinc/58/28/64/977582864.db2.gz	QJMBHOURRUWTKY-UHFFFAOYSA-N	0	2	352.232	2.660	10	0		FFAELN
O=S(=O)(Nc1nnc(C2CC2)o1)c1sccc1Br	ZINC000042524800	208294733	/nfs/dbraw/zinc/29/47/33/208294733.db2.gz	UEMUNXIDDKZXAT-UHFFFAOYSA-N	0	2	350.219	2.572	10	0		FFAELN
Cc1ccsc1-c1nc(=NC(=O)C[C@H](C)N2CCCCC2=O)s[nH]1	ZINC000328727857	258119090	/nfs/dbraw/zinc/11/90/90/258119090.db2.gz	DLAWXUPLDXJRNG-NSHDSACASA-N	0	2	364.496	2.727	10	0		FFAELN
COC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccccc1	ZINC000131394022	508925599	/nfs/dbraw/zinc/92/55/99/508925599.db2.gz	GPDXMEUGKFPLDF-ZDUSSCGKSA-N	0	2	357.790	2.672	10	0		FFAELN
COCCc1noc(CN(C)C(=O)c2ccc(Cl)c(Cl)c2O)n1	ZINC000163489346	509381665	/nfs/dbraw/zinc/38/16/65/509381665.db2.gz	CVOYTLHGABCAMX-UHFFFAOYSA-N	0	2	360.197	2.543	10	0		FFAELN
Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)o1	ZINC000173190040	509445197	/nfs/dbraw/zinc/44/51/97/509445197.db2.gz	IRXSIFQQHGBYTF-ZDUSSCGKSA-N	0	2	368.393	2.601	10	0		FFAELN
O=C(Nc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1O	ZINC000179482738	509469040	/nfs/dbraw/zinc/46/90/40/509469040.db2.gz	GCYUJHWDMPQNGY-UHFFFAOYSA-N	0	2	350.165	2.927	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000186983826	509988623	/nfs/dbraw/zinc/98/86/23/509988623.db2.gz	KUWSZGQFCIUUEU-MEBBXXQBSA-N	0	2	355.287	2.897	10	0		FFAELN
O=C([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000183934308	510046443	/nfs/dbraw/zinc/04/64/43/510046443.db2.gz	NYKPEYCSZZLGSH-INIZCTEOSA-N	0	2	370.453	2.919	10	0		FFAELN
O=C([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000183934308	510046450	/nfs/dbraw/zinc/04/64/50/510046450.db2.gz	NYKPEYCSZZLGSH-INIZCTEOSA-N	0	2	370.453	2.919	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC(Cn2cncn2)CC1	ZINC000190712210	510300577	/nfs/dbraw/zinc/30/05/77/510300577.db2.gz	FQKBTTNSKOZGBW-UHFFFAOYSA-N	0	2	355.225	2.843	10	0		FFAELN
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000185264102	510778396	/nfs/dbraw/zinc/77/83/96/510778396.db2.gz	PCIIVYHAHXHNMS-ZHAHWJHGSA-N	0	2	357.328	2.756	10	0		FFAELN
CCn1cc([C@H]2CN(C(=O)c3c[nH]c4c(C)cccc4c3=O)CCO2)cn1	ZINC000191786804	510829943	/nfs/dbraw/zinc/82/99/43/510829943.db2.gz	LLAPFQFAIYOKSG-QGZVFWFLSA-N	0	2	366.421	2.679	10	0		FFAELN
C[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC[C@@H]1O	ZINC000408142093	513009067	/nfs/dbraw/zinc/00/90/67/513009067.db2.gz	YZNPSKWGMOVKMR-SKDRFNHKSA-N	0	2	352.847	2.515	10	0		FFAELN
O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000408409147	513061427	/nfs/dbraw/zinc/06/14/27/513061427.db2.gz	UGLXEIUGSGCMBU-KCPJHIHWSA-N	0	2	357.809	2.577	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccccc2F)[N@@H+]1Cc1ccccc1	ZINC000630646550	522986671	/nfs/dbraw/zinc/98/66/71/522986671.db2.gz	XCXJXNKTVJVDBD-MSOLQXFVSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccccc2F)[N@H+]1Cc1ccccc1	ZINC000630646550	522986677	/nfs/dbraw/zinc/98/66/77/522986677.db2.gz	XCXJXNKTVJVDBD-MSOLQXFVSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630653360	522999369	/nfs/dbraw/zinc/99/93/69/522999369.db2.gz	KFIDKUAEBDGCPP-ZCNNSNEGSA-N	0	2	364.445	2.908	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630653360	522999377	/nfs/dbraw/zinc/99/93/77/522999377.db2.gz	KFIDKUAEBDGCPP-ZCNNSNEGSA-N	0	2	364.445	2.908	10	0		FFAELN
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659805	523012871	/nfs/dbraw/zinc/01/28/71/523012871.db2.gz	UNQKIGRPFPJBGJ-MSOLQXFVSA-N	0	2	356.397	2.906	10	0		FFAELN
CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659805	523012877	/nfs/dbraw/zinc/01/28/77/523012877.db2.gz	UNQKIGRPFPJBGJ-MSOLQXFVSA-N	0	2	356.397	2.906	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCc3occc32)[N@@H+]1Cc1ccccc1	ZINC000630660530	523016191	/nfs/dbraw/zinc/01/61/91/523016191.db2.gz	XWBGAFUISGNHNZ-BZSNNMDCSA-N	0	2	368.433	2.891	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCc3occc32)[N@H+]1Cc1ccccc1	ZINC000630660530	523016198	/nfs/dbraw/zinc/01/61/98/523016198.db2.gz	XWBGAFUISGNHNZ-BZSNNMDCSA-N	0	2	368.433	2.891	10	0		FFAELN
COc1ccc(N)cc1NS(=O)(=O)c1ccccc1Br	ZINC000034957436	208116188	/nfs/dbraw/zinc/11/61/88/208116188.db2.gz	WPDQZHTYGKOUFG-UHFFFAOYSA-N	0	2	357.229	2.841	10	0		FFAELN
Cc1cc(N2CC[C@H](Nc3nc(-c4cccc(Cl)c4)no3)C2=O)n(C)n1	ZINC000301484327	258051864	/nfs/dbraw/zinc/05/18/64/258051864.db2.gz	YIMYYQLUDCIIIQ-ZDUSSCGKSA-N	0	2	372.816	2.649	10	0		FFAELN
CC(C)CC(=O)N[C@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)C	ZINC000113428581	508267328	/nfs/dbraw/zinc/26/73/28/508267328.db2.gz	LGGJQZADEHTKQV-HNNXBMFYSA-N	0	2	361.421	2.736	10	0		FFAELN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(F)c(F)c(O)c3F)C2)n1	ZINC000182705697	509382697	/nfs/dbraw/zinc/38/26/97/509382697.db2.gz	LZZRPMPBSGTXAF-LLVKDONJSA-N	0	2	368.359	2.570	10	0		FFAELN
CC[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000248640398	509408238	/nfs/dbraw/zinc/40/82/38/509408238.db2.gz	CAESTMNTWADKCP-PMACEKPBSA-N	0	2	358.530	2.626	10	0		FFAELN
O[C@H](C[NH+]1CCC[C@@H](C(F)(F)F)C1)C[N@@H+]1CCC[C@H](C(F)(F)F)C1	ZINC000248751139	509469638	/nfs/dbraw/zinc/46/96/38/509469638.db2.gz	UHYOWMLUCCGHCM-CLLJXQQHSA-N	0	2	362.358	2.896	10	0		FFAELN
C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1nnc(COc2ccccc2)[nH]1	ZINC000186629406	509813668	/nfs/dbraw/zinc/81/36/68/509813668.db2.gz	MZWWZNVWCNHFSU-ORAYPTAESA-N	0	2	364.405	2.565	10	0		FFAELN
C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000245593707	510025796	/nfs/dbraw/zinc/02/57/96/510025796.db2.gz	HRHNBBBRVDBHSX-SNUQEOBHSA-N	0	2	366.421	2.665	10	0		FFAELN
C[N@H+]1CC[C@H](NC(=O)NCCc2cn3ccccc3[nH+]2)[C@H]1c1ccccc1	ZINC000245622751	510045548	/nfs/dbraw/zinc/04/55/48/510045548.db2.gz	FPVCCHKDKONEGP-AZUAARDMSA-N	0	2	363.465	2.621	10	0		FFAELN
O=C(c1cc(Br)cc(Cl)c1O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000408410832	513061615	/nfs/dbraw/zinc/06/16/15/513061615.db2.gz	ZZHIXIZIRAICMR-HNBZJPLGSA-N	0	2	360.635	2.651	10	0		FFAELN
CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000584103425	519592523	/nfs/dbraw/zinc/59/25/23/519592523.db2.gz	CFKYHEBZUSDFRL-LBPRGKRZSA-N	0	2	374.832	2.741	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649441	522991932	/nfs/dbraw/zinc/99/19/32/522991932.db2.gz	TUQYRXYNCJHLSK-QZTJIDSGSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649441	522991945	/nfs/dbraw/zinc/99/19/45/522991945.db2.gz	TUQYRXYNCJHLSK-QZTJIDSGSA-N	0	2	372.396	2.891	10	0		FFAELN
Cc1cscc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654490	523002611	/nfs/dbraw/zinc/00/26/11/523002611.db2.gz	WDAPVQMNCFUWFY-IAGOWNOFSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1cscc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654490	523002623	/nfs/dbraw/zinc/00/26/23/523002623.db2.gz	WDAPVQMNCFUWFY-IAGOWNOFSA-N	0	2	358.463	2.791	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCC(C2CC2)C2CC2)[N@@H+]1Cc1ccccc1	ZINC000630661334	523015620	/nfs/dbraw/zinc/01/56/20/523015620.db2.gz	QQEFNMDQZADLFR-RTBURBONSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCC(C2CC2)C2CC2)[N@H+]1Cc1ccccc1	ZINC000630661334	523015627	/nfs/dbraw/zinc/01/56/27/523015627.db2.gz	QQEFNMDQZADLFR-RTBURBONSA-N	0	2	356.466	2.657	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672623	523034072	/nfs/dbraw/zinc/03/40/72/523034072.db2.gz	NHUQWTCFJLTIIG-DLBZAZTESA-N	0	2	358.463	2.824	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672623	523034081	/nfs/dbraw/zinc/03/40/81/523034081.db2.gz	NHUQWTCFJLTIIG-DLBZAZTESA-N	0	2	358.463	2.824	10	0		FFAELN
COc1nsc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1Br	ZINC000690108590	954668561	/nfs/dbraw/zinc/66/85/61/954668561.db2.gz	KQSUVHXRDRUSQK-UHFFFAOYSA-N	0	2	363.277	2.991	10	0		FFAELN
CC(C)c1nc(C2([NH2+]CC(=O)[N-]OCc3ccccc3)CCCC2)no1	ZINC000093177246	250021092	/nfs/dbraw/zinc/02/10/92/250021092.db2.gz	IDGSGXJHYGXVBH-UHFFFAOYSA-N	0	2	358.442	2.800	10	0		FFAELN
CC(C)c1nc(C2(NCC(=O)NOCc3ccccc3)CCCC2)no1	ZINC000093177246	250021094	/nfs/dbraw/zinc/02/10/94/250021094.db2.gz	IDGSGXJHYGXVBH-UHFFFAOYSA-N	0	2	358.442	2.800	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@H](Cn2cncn2)C1	ZINC000131983241	251035641	/nfs/dbraw/zinc/03/56/41/251035641.db2.gz	AAQAIHOUCJSLPH-JTQLQIEISA-N	0	2	355.225	2.843	10	0		FFAELN
COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)cc1	ZINC000119272573	508762250	/nfs/dbraw/zinc/76/22/50/508762250.db2.gz	JEFDMMKIWFBFTA-TZMCWYRMSA-N	0	2	366.421	2.701	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(F)cc3C)sc2C1	ZINC000120812034	509069183	/nfs/dbraw/zinc/06/91/83/509069183.db2.gz	SSOSBDLGASNZEF-UHFFFAOYSA-N	0	2	355.460	2.769	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)c2=O	ZINC000132846477	509081861	/nfs/dbraw/zinc/08/18/61/509081861.db2.gz	BUVBJVBOZYYJJJ-LLVKDONJSA-N	0	2	372.812	2.621	10	0		FFAELN
C[N@@H+]1CC[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccccc1	ZINC000248044221	509222757	/nfs/dbraw/zinc/22/27/57/509222757.db2.gz	MQWSMKHPBXGOAA-RBUKOAKNSA-N	0	2	353.470	2.675	10	0		FFAELN
C[C@H](CCNC(=O)c1cc(F)c(F)c(O)c1F)NC(=O)OC(C)(C)C	ZINC000185731717	509328526	/nfs/dbraw/zinc/32/85/26/509328526.db2.gz	FPXHSTSQPBLORY-MRVPVSSYSA-N	0	2	362.348	2.843	10	0		FFAELN
C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1nnc(COc2ccccc2)[nH]1	ZINC000186629353	509811735	/nfs/dbraw/zinc/81/17/35/509811735.db2.gz	MZWWZNVWCNHFSU-YJYMSZOUSA-N	0	2	364.405	2.565	10	0		FFAELN
CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(Cl)c2O)C1	ZINC000190003674	509878977	/nfs/dbraw/zinc/87/89/77/509878977.db2.gz	MARXTUPAWAUUJN-LDYMZIIASA-N	0	2	372.208	2.993	10	0		FFAELN
Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H]3c3cnn(C)c3)c2cc1C	ZINC000245843864	510165580	/nfs/dbraw/zinc/16/55/80/510165580.db2.gz	HWILLNZNAGOVQG-HKUYNNGSSA-N	0	2	353.470	2.585	10	0		FFAELN
CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccccc2F)[C@@H]1c1cnn(C)c1	ZINC000328651946	511907770	/nfs/dbraw/zinc/90/77/70/511907770.db2.gz	WEYWRIVAODNEDI-ZLGUVYLKSA-N	0	2	374.504	2.998	10	0		FFAELN
Cc1ccncc1S(=O)(=O)NC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	ZINC000408504513	513083384	/nfs/dbraw/zinc/08/33/84/513083384.db2.gz	VEUYCYSSJGWHIP-WDEREUQCSA-N	0	2	350.362	2.564	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(F)ccc2F)[N@@H+]1Cc1ccccc1	ZINC000630644486	522983447	/nfs/dbraw/zinc/98/34/47/522983447.db2.gz	BLWYCICRTGAVQX-MSOLQXFVSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(F)ccc2F)[N@H+]1Cc1ccccc1	ZINC000630644486	522983458	/nfs/dbraw/zinc/98/34/58/522983458.db2.gz	BLWYCICRTGAVQX-MSOLQXFVSA-N	0	2	374.387	2.699	10	0		FFAELN
COc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646714	522985972	/nfs/dbraw/zinc/98/59/72/522985972.db2.gz	YTUVFHDPVJHHHJ-QZTJIDSGSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646714	522985984	/nfs/dbraw/zinc/98/59/84/522985984.db2.gz	YTUVFHDPVJHHHJ-QZTJIDSGSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000630647628	522988875	/nfs/dbraw/zinc/98/88/75/522988875.db2.gz	LQGASKMHCWDKTQ-IRXDYDNUSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000630647628	522988882	/nfs/dbraw/zinc/98/88/82/522988882.db2.gz	LQGASKMHCWDKTQ-IRXDYDNUSA-N	0	2	372.396	2.891	10	0		FFAELN
Cc1csc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630650673	522991438	/nfs/dbraw/zinc/99/14/38/522991438.db2.gz	QDRWPHIRASKWEY-SJORKVTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1csc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630650673	522991450	/nfs/dbraw/zinc/99/14/50/522991450.db2.gz	QDRWPHIRASKWEY-SJORKVTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649330	522993689	/nfs/dbraw/zinc/99/36/89/522993689.db2.gz	IRVKTRIZZWUPEX-QZTJIDSGSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649330	522993698	/nfs/dbraw/zinc/99/36/98/522993698.db2.gz	IRVKTRIZZWUPEX-QZTJIDSGSA-N	0	2	354.406	2.757	10	0		FFAELN
CCOC(=O)Cc1csc(NS(=O)(=O)/C=C\c2ccccc2)n1	ZINC000214991808	729544933	/nfs/dbraw/zinc/54/49/33/729544933.db2.gz	HMGOOODTJVJVDK-HJWRWDBZSA-N	0	2	352.437	2.661	10	0		FFAELN
COc1ccc(Cc2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)cc1	ZINC000004602967	207033021	/nfs/dbraw/zinc/03/30/21/207033021.db2.gz	ZPANUEXREQGVDH-CYBMUJFWSA-N	0	2	358.781	2.790	10	0		FFAELN
CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C12CCOCC2	ZINC000192503714	251279356	/nfs/dbraw/zinc/27/93/56/251279356.db2.gz	IDMSYGLIYOCAFQ-ZIAGYGMSSA-N	0	2	357.809	2.889	10	0		FFAELN
C[C@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1	ZINC000329100266	258129258	/nfs/dbraw/zinc/12/92/58/258129258.db2.gz	MOIZJTKEKDLISL-INIZCTEOSA-N	0	2	368.481	2.582	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCCN(C(=O)C2CC2)CC1	ZINC000158471485	508709253	/nfs/dbraw/zinc/70/92/53/508709253.db2.gz	GDMQPDLKZYAKRR-UHFFFAOYSA-N	0	2	357.237	2.784	10	0		FFAELN
O=c1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)[nH]c2ccsc21	ZINC000121488276	509176445	/nfs/dbraw/zinc/17/64/45/509176445.db2.gz	QZYMMWZYKXVVPN-HZMBPMFUSA-N	0	2	363.389	2.571	10	0		FFAELN
NC(=O)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccc(F)cc1	ZINC000185691451	509305996	/nfs/dbraw/zinc/30/59/96/509305996.db2.gz	OMYVYFLJUCCQEV-LBPRGKRZSA-N	0	2	357.168	2.795	10	0		FFAELN
CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nn[nH]c2c1	ZINC000176733772	509664153	/nfs/dbraw/zinc/66/41/53/509664153.db2.gz	SCMDVUUJCDVCDA-YVEFUNNKSA-N	0	2	351.410	2.741	10	0		FFAELN
C[N@H+]1CC[C@@H](NC(=O)NCCc2cn3ccccc3[nH+]2)[C@H]1c1ccccc1	ZINC000245622760	510044938	/nfs/dbraw/zinc/04/49/38/510044938.db2.gz	FPVCCHKDKONEGP-UYAOXDASSA-N	0	2	363.465	2.621	10	0		FFAELN
COc1cc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1	ZINC000246964861	510773444	/nfs/dbraw/zinc/77/34/44/510773444.db2.gz	VDIHZCQYKFMGIA-YWZLYKJASA-N	0	2	373.497	2.591	10	0		FFAELN
CSC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCC1	ZINC000600984077	520574420	/nfs/dbraw/zinc/57/44/20/520574420.db2.gz	NCOVYKFMRFWRRF-HZPDHXFCSA-N	0	2	362.495	2.506	10	0		FFAELN
CSC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCC1	ZINC000600984077	520574427	/nfs/dbraw/zinc/57/44/27/520574427.db2.gz	NCOVYKFMRFWRRF-HZPDHXFCSA-N	0	2	362.495	2.506	10	0		FFAELN
CCOc1cccc(Cn2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)c1	ZINC000073660776	521379794	/nfs/dbraw/zinc/37/97/94/521379794.db2.gz	CBXWKGIITVVOCD-UHFFFAOYSA-N	0	2	370.430	2.919	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649448	522991589	/nfs/dbraw/zinc/99/15/89/522991589.db2.gz	TUQYRXYNCJHLSK-ZWKOTPCHSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649448	522991594	/nfs/dbraw/zinc/99/15/94/522991594.db2.gz	TUQYRXYNCJHLSK-ZWKOTPCHSA-N	0	2	372.396	2.891	10	0		FFAELN
CCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(CC)CC3)cc1	ZINC000121490527	728628630	/nfs/dbraw/zinc/62/86/30/728628630.db2.gz	XXQPMVYRNPLCLC-UHFFFAOYSA-N	0	2	367.496	2.721	10	0		FFAELN
COc1cccc(-c2nc(=NC(=O)C=Cc3ncccc3C)s[nH]2)c1	ZINC000588452805	845963761	/nfs/dbraw/zinc/96/37/61/845963761.db2.gz	BWSNSMBJVMCQDX-HJWRWDBZSA-N	0	2	352.419	2.991	10	0		FFAELN
O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@H]2CC[C@@H](C1)O2	ZINC000329446412	258138631	/nfs/dbraw/zinc/13/86/31/258138631.db2.gz	NXAOGXMWMFGEJZ-AOOOYVTPSA-N	0	2	350.831	2.676	10	0		FFAELN
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3cc(C)on3)cc21	ZINC000021151604	507245105	/nfs/dbraw/zinc/24/51/05/507245105.db2.gz	QKMWUKPROGMXEQ-JTQLQIEISA-N	0	2	367.452	2.631	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC(Nc3ccc(F)cc3)CC1)c2=O	ZINC000132652234	509057478	/nfs/dbraw/zinc/05/74/78/509057478.db2.gz	ZQUKGNZENHWDCM-UHFFFAOYSA-N	0	2	369.400	2.530	10	0		FFAELN
C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000248637953	509406780	/nfs/dbraw/zinc/40/67/80/509406780.db2.gz	AQHDSZIAUFSMPJ-QCFAMHMHSA-N	0	2	372.557	2.919	10	0		FFAELN
Cc1c(Cl)cccc1NCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O	ZINC000257351086	509981345	/nfs/dbraw/zinc/98/13/45/509981345.db2.gz	CARJZDILFPZNHV-UHFFFAOYSA-N	0	2	362.773	2.824	10	0		FFAELN
COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1	ZINC000245955722	510226782	/nfs/dbraw/zinc/22/67/82/510226782.db2.gz	QMIUHNUHFOJRKE-GDBMZVCRSA-N	0	2	372.469	2.700	10	0		FFAELN
CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)CC2	ZINC000194833169	510549812	/nfs/dbraw/zinc/54/98/12/510549812.db2.gz	HEKWIWCFYYJBTH-JTQLQIEISA-N	0	2	352.797	2.644	10	0		FFAELN
CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000246574052	510562769	/nfs/dbraw/zinc/56/27/69/510562769.db2.gz	LNLZWSFDWCPNEB-LPHOPBHVSA-N	0	2	357.498	2.973	10	0		FFAELN
CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000246929012	510752314	/nfs/dbraw/zinc/75/23/14/510752314.db2.gz	SXUYGLLMVCMRLQ-OXJNMPFZSA-N	0	2	370.497	2.532	10	0		FFAELN
C[C@H](NC(=O)Nc1ccc(Br)cc1)c1[nH+]ccn1CC(=O)[O-]	ZINC000584616857	518415902	/nfs/dbraw/zinc/41/59/02/518415902.db2.gz	ACZBQUUXTHUCDS-VIFPVBQESA-N	0	2	367.203	2.613	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@@H+]1Cc1ccccc1	ZINC000630644439	522983687	/nfs/dbraw/zinc/98/36/87/522983687.db2.gz	KDFFIKFTLWEVHH-ROUUACIJSA-N	0	2	364.405	2.619	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@H+]1Cc1ccccc1	ZINC000630644439	522983694	/nfs/dbraw/zinc/98/36/94/522983694.db2.gz	KDFFIKFTLWEVHH-ROUUACIJSA-N	0	2	364.405	2.619	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2F)[N@@H+]1Cc1ccccc1	ZINC000630646831	522987113	/nfs/dbraw/zinc/98/71/13/522987113.db2.gz	FPTGYKLVUOVLBI-ROUUACIJSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2F)[N@H+]1Cc1ccccc1	ZINC000630646831	522987122	/nfs/dbraw/zinc/98/71/22/522987122.db2.gz	FPTGYKLVUOVLBI-ROUUACIJSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC23CC3)[N@@H+]1Cc1ccccc1	ZINC000630650732	522993170	/nfs/dbraw/zinc/99/31/70/522993170.db2.gz	PSECWTYGRMDBNT-KURKYZTESA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC23CC3)[N@H+]1Cc1ccccc1	ZINC000630650732	522993175	/nfs/dbraw/zinc/99/31/75/522993175.db2.gz	PSECWTYGRMDBNT-KURKYZTESA-N	0	2	356.466	2.801	10	0		FFAELN
Cc1cscc1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654487	523001013	/nfs/dbraw/zinc/00/10/13/523001013.db2.gz	WDAPVQMNCFUWFY-DLBZAZTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1cscc1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654487	523001022	/nfs/dbraw/zinc/00/10/22/523001022.db2.gz	WDAPVQMNCFUWFY-DLBZAZTESA-N	0	2	358.463	2.791	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCCOC2CCCCC2)[N@@H+]1Cc1ccccc1	ZINC000630655632	523003248	/nfs/dbraw/zinc/00/32/48/523003248.db2.gz	JJFGCQPKDVMATL-RBUKOAKNSA-N	0	2	374.481	2.570	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCCOC2CCCCC2)[N@H+]1Cc1ccccc1	ZINC000630655632	523003252	/nfs/dbraw/zinc/00/32/52/523003252.db2.gz	JJFGCQPKDVMATL-RBUKOAKNSA-N	0	2	374.481	2.570	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630657481	523008688	/nfs/dbraw/zinc/00/86/88/523008688.db2.gz	MNLZUPPTEXFBQF-PVAVHDDUSA-N	0	2	356.422	2.917	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630657481	523008691	/nfs/dbraw/zinc/00/86/91/523008691.db2.gz	MNLZUPPTEXFBQF-PVAVHDDUSA-N	0	2	356.422	2.917	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630667186	523025943	/nfs/dbraw/zinc/02/59/43/523025943.db2.gz	AETINPSKQAIWHF-DLBZAZTESA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630667186	523025955	/nfs/dbraw/zinc/02/59/55/523025955.db2.gz	AETINPSKQAIWHF-DLBZAZTESA-N	0	2	356.422	2.664	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(Cl)o2)[N@@H+]1Cc1ccccc1	ZINC000630672667	523035194	/nfs/dbraw/zinc/03/51/94/523035194.db2.gz	NOTCZXNPGIMEME-LSDHHAIUSA-N	0	2	362.813	2.667	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(Cl)o2)[N@H+]1Cc1ccccc1	ZINC000630672667	523035201	/nfs/dbraw/zinc/03/52/01/523035201.db2.gz	NOTCZXNPGIMEME-LSDHHAIUSA-N	0	2	362.813	2.667	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630674485	523039275	/nfs/dbraw/zinc/03/92/75/523039275.db2.gz	SZFODXKNIDHHHH-LSDHHAIUSA-N	0	2	354.397	2.606	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630674485	523039287	/nfs/dbraw/zinc/03/92/87/523039287.db2.gz	SZFODXKNIDHHHH-LSDHHAIUSA-N	0	2	354.397	2.606	10	0		FFAELN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cc(F)c(O)c(F)c1	ZINC000186839641	251272622	/nfs/dbraw/zinc/27/26/22/251272622.db2.gz	GKQDJMXZZVLASX-NSHDSACASA-N	0	2	356.369	2.800	10	0		FFAELN
CCO[C@H]1C[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C12CCOCC2	ZINC000192503734	251280019	/nfs/dbraw/zinc/28/00/19/251280019.db2.gz	IDMSYGLIYOCAFQ-KGLIPLIRSA-N	0	2	357.809	2.889	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2Cl)C[C@@H]1C(=O)[O-]	ZINC000008698768	207242166	/nfs/dbraw/zinc/24/21/66/207242166.db2.gz	ALFRVYGMLNWQCX-CQSZACIVSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2Cl)C[C@@H]1C(=O)[O-]	ZINC000008698768	207242170	/nfs/dbraw/zinc/24/21/70/207242170.db2.gz	ALFRVYGMLNWQCX-CQSZACIVSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)N1C(=O)N[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3O)CC[C@@H]21	ZINC000286246089	257027707	/nfs/dbraw/zinc/02/77/07/257027707.db2.gz	KVPLPWLRMZIBQI-NEPJUHHUSA-N	0	2	372.252	2.716	10	0		FFAELN
COc1ccc(-n2c(O)c(C(=O)c3ccc(C)cc3)c(=O)[nH]c2=O)cc1	ZINC000100404933	132232881	/nfs/dbraw/zinc/23/28/81/132232881.db2.gz	BMMKJJKUQPCUPM-FOCLMDBBSA-N	0	2	352.346	2.556	10	0		FFAELN
O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000158915447	508768473	/nfs/dbraw/zinc/76/84/73/508768473.db2.gz	MSVWCISLALZJJZ-IRXDYDNUSA-N	0	2	366.465	2.737	10	0		FFAELN
CN(c1cccnn1)C1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1	ZINC000133228808	509135709	/nfs/dbraw/zinc/13/57/09/509135709.db2.gz	ITRVMOQKVJONHK-UHFFFAOYSA-N	0	2	364.808	2.716	10	0		FFAELN
Cc1cnn([C@@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)c1	ZINC000176290871	509424978	/nfs/dbraw/zinc/42/49/78/509424978.db2.gz	SKQNFYDUYAVIFL-MRXNPFEDSA-N	0	2	369.400	2.699	10	0		FFAELN
C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000179491655	509477115	/nfs/dbraw/zinc/47/71/15/509477115.db2.gz	HRHNBBBRVDBHSX-VBHSOAQHSA-N	0	2	366.421	2.665	10	0		FFAELN
CC(=O)c1cc(Cl)sc1S(=O)(=O)Nc1ccc(CCO)cc1	ZINC000165304993	509567320	/nfs/dbraw/zinc/56/73/20/509567320.db2.gz	BOUYFKJWOIULBP-UHFFFAOYSA-N	0	2	359.856	2.940	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000186983762	509988038	/nfs/dbraw/zinc/98/80/38/509988038.db2.gz	KUWSZGQFCIUUEU-BONVTDFDSA-N	0	2	355.287	2.897	10	0		FFAELN
C[C@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)c1nc(-c2ccccc2)no1	ZINC000184765148	510506672	/nfs/dbraw/zinc/50/66/72/510506672.db2.gz	CTKSYLCSLLCXFD-NXEZZACHSA-N	0	2	363.361	2.710	10	0		FFAELN
O=C1O[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CN1c1ccccc1	ZINC000246857597	510712977	/nfs/dbraw/zinc/71/29/77/510712977.db2.gz	PLNBYLXMHRNZQT-DBVUQKKJSA-N	0	2	355.482	2.961	10	0		FFAELN
Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630645538	522985431	/nfs/dbraw/zinc/98/54/31/522985431.db2.gz	PURMAQQAARPRHF-DLBZAZTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630645538	522985438	/nfs/dbraw/zinc/98/54/38/522985438.db2.gz	PURMAQQAARPRHF-DLBZAZTESA-N	0	2	358.463	2.791	10	0		FFAELN
CCOC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCC1	ZINC000630647577	522990379	/nfs/dbraw/zinc/99/03/79/522990379.db2.gz	BMVHJANZYGTQTR-MSOLQXFVSA-N	0	2	374.481	2.570	10	0		FFAELN
CCOC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCC1	ZINC000630647577	522990391	/nfs/dbraw/zinc/99/03/91/522990391.db2.gz	BMVHJANZYGTQTR-MSOLQXFVSA-N	0	2	374.481	2.570	10	0		FFAELN
Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1O	ZINC000630650487	522991758	/nfs/dbraw/zinc/99/17/58/522991758.db2.gz	YRHXSVHZQPNFCV-SJORKVTESA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1O	ZINC000630650487	522991765	/nfs/dbraw/zinc/99/17/65/522991765.db2.gz	YRHXSVHZQPNFCV-SJORKVTESA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630650455	522992335	/nfs/dbraw/zinc/99/23/35/522992335.db2.gz	YBHMDMCEXPYNEM-HZPDHXFCSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630650455	522992338	/nfs/dbraw/zinc/99/23/38/522992338.db2.gz	YBHMDMCEXPYNEM-HZPDHXFCSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630655178	523001816	/nfs/dbraw/zinc/00/18/16/523001816.db2.gz	NPFFJNSACBITDJ-ROUUACIJSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630655178	523001825	/nfs/dbraw/zinc/00/18/25/523001825.db2.gz	NPFFJNSACBITDJ-ROUUACIJSA-N	0	2	356.422	2.664	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCc3occc32)[N@@H+]1Cc1ccccc1	ZINC000630660533	523015662	/nfs/dbraw/zinc/01/56/62/523015662.db2.gz	XWBGAFUISGNHNZ-SQNIBIBYSA-N	0	2	368.433	2.891	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCc3occc32)[N@H+]1Cc1ccccc1	ZINC000630660533	523015671	/nfs/dbraw/zinc/01/56/71/523015671.db2.gz	XWBGAFUISGNHNZ-SQNIBIBYSA-N	0	2	368.433	2.891	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630667187	523025076	/nfs/dbraw/zinc/02/50/76/523025076.db2.gz	AETINPSKQAIWHF-IAGOWNOFSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630667187	523025079	/nfs/dbraw/zinc/02/50/79/523025079.db2.gz	AETINPSKQAIWHF-IAGOWNOFSA-N	0	2	356.422	2.664	10	0		FFAELN
CC1(C)CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671655	523033716	/nfs/dbraw/zinc/03/37/16/523033716.db2.gz	ZVFAHSONMNDCOJ-IRXDYDNUSA-N	0	2	374.481	2.520	10	0		FFAELN
CC1(C)CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671655	523033731	/nfs/dbraw/zinc/03/37/31/523033731.db2.gz	ZVFAHSONMNDCOJ-IRXDYDNUSA-N	0	2	374.481	2.520	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC(F)(F)C2)[N@@H+]1Cc1ccccc1	ZINC000630671495	523034637	/nfs/dbraw/zinc/03/46/37/523034637.db2.gz	LMPDCZCHFJTMOJ-PMPSAXMXSA-N	0	2	366.408	2.798	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCC(F)(F)C2)[N@H+]1Cc1ccccc1	ZINC000630671495	523034645	/nfs/dbraw/zinc/03/46/45/523034645.db2.gz	LMPDCZCHFJTMOJ-PMPSAXMXSA-N	0	2	366.408	2.798	10	0		FFAELN
CCc1nnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)s1	ZINC000223671988	729546924	/nfs/dbraw/zinc/54/69/24/729546924.db2.gz	ODCWIQHFLNYADZ-UHFFFAOYSA-N	0	2	366.468	2.521	10	0		FFAELN
CCC[N@H+](CC(=O)[O-])Cc1nnc(-c2ccc(Br)cc2)o1	ZINC000038022136	211356480	/nfs/dbraw/zinc/35/64/80/211356480.db2.gz	CRUKJFUEDRXJFP-UHFFFAOYSA-N	0	2	354.204	2.796	10	0		FFAELN
CCC[N@@H+](CC(=O)[O-])Cc1nnc(-c2ccc(Br)cc2)o1	ZINC000038022136	211356484	/nfs/dbraw/zinc/35/64/84/211356484.db2.gz	CRUKJFUEDRXJFP-UHFFFAOYSA-N	0	2	354.204	2.796	10	0		FFAELN
C[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccc2ccccc2c1	ZINC000048178798	507472784	/nfs/dbraw/zinc/47/27/84/507472784.db2.gz	PASSOVPVPGWPCN-NSHDSACASA-N	0	2	360.373	2.668	10	0		FFAELN
C[C@H](NC(=O)[C@H](C)N(C)Cc1nc(=O)c2sccc2[nH]1)c1ccccc1	ZINC000131506759	508942142	/nfs/dbraw/zinc/94/21/42/508942142.db2.gz	GHGISRQEKGMMRG-STQMWFEESA-N	0	2	370.478	2.682	10	0		FFAELN
Cc1ccccc1[C@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@@H](C)CO1	ZINC000132771714	509072918	/nfs/dbraw/zinc/07/29/18/509072918.db2.gz	QIKXLGANFFWPQB-SUMWQHHRSA-N	0	2	366.421	2.585	10	0		FFAELN
Cc1ccccc1[C@@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@H](C)CO1	ZINC000132771084	509073018	/nfs/dbraw/zinc/07/30/18/509073018.db2.gz	QIKXLGANFFWPQB-DYVFJYSZSA-N	0	2	366.421	2.585	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC(N2CCCNC2=O)CC1	ZINC000120881376	509082519	/nfs/dbraw/zinc/08/25/19/509082519.db2.gz	CXUCXBIBISILOY-UHFFFAOYSA-N	0	2	372.252	2.719	10	0		FFAELN
CCCC[C@@H](C(=O)OC)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000248658511	509423430	/nfs/dbraw/zinc/42/34/30/509423430.db2.gz	UBTALRBPACKGGI-HOTGVXAUSA-N	0	2	353.532	2.937	10	0		FFAELN
CCn1cc([C@@H]2CN(C(=O)c3cc(F)c(O)c(Cl)c3)CCO2)cn1	ZINC000192665431	509589423	/nfs/dbraw/zinc/58/94/23/509589423.db2.gz	LIQJYGWGJAOLKI-AWEZNQCLSA-N	0	2	353.781	2.615	10	0		FFAELN
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc2nn[nH]c2c1)C(C)C	ZINC000176712037	509653983	/nfs/dbraw/zinc/65/39/83/509653983.db2.gz	KDDVJQRYSGBKAF-KRWDZBQOSA-N	0	2	351.410	2.659	10	0		FFAELN
O=c1nc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)[nH]c2ccsc21	ZINC000171640336	510269520	/nfs/dbraw/zinc/26/95/20/510269520.db2.gz	KIKJJLMWLHZZOD-CYBMUJFWSA-N	0	2	370.482	2.640	10	0		FFAELN
C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](C)c1nc(-c2ccccc2)no1	ZINC000184765126	510506707	/nfs/dbraw/zinc/50/67/07/510506707.db2.gz	CTKSYLCSLLCXFD-VHSXEESVSA-N	0	2	363.361	2.710	10	0		FFAELN
CCc1nnc([C@H]2CN(C(=O)c3c(O)cc(Cl)cc3Cl)CCO2)[nH]1	ZINC000175258097	510556543	/nfs/dbraw/zinc/55/65/43/510556543.db2.gz	WXWVYSNWQQDHNE-LLVKDONJSA-N	0	2	371.224	2.593	10	0		FFAELN
CCc1nc([C@H]2CN(C(=O)c3c(O)cc(Cl)cc3Cl)CCO2)n[nH]1	ZINC000175258097	510556548	/nfs/dbraw/zinc/55/65/48/510556548.db2.gz	WXWVYSNWQQDHNE-LLVKDONJSA-N	0	2	371.224	2.593	10	0		FFAELN
COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000246945698	510761353	/nfs/dbraw/zinc/76/13/53/510761353.db2.gz	UKBIGEMOLMVDAH-GHTZIAJQSA-N	0	2	371.525	2.602	10	0		FFAELN
Oc1c(F)ccc(I)c1I	ZINC000307660425	511767506	/nfs/dbraw/zinc/76/75/06/511767506.db2.gz	UKFDLPBTWKFJIX-UHFFFAOYSA-N	0	2	363.895	2.741	10	0		FFAELN
CSC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCC1	ZINC000600984075	520572643	/nfs/dbraw/zinc/57/26/43/520572643.db2.gz	NCOVYKFMRFWRRF-CVEARBPZSA-N	0	2	362.495	2.506	10	0		FFAELN
CSC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCC1	ZINC000600984075	520572649	/nfs/dbraw/zinc/57/26/49/520572649.db2.gz	NCOVYKFMRFWRRF-CVEARBPZSA-N	0	2	362.495	2.506	10	0		FFAELN
C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCS1	ZINC000630644954	522983208	/nfs/dbraw/zinc/98/32/08/522983208.db2.gz	DGUZPDGSZTXAKN-JTDSTZFVSA-N	0	2	362.495	2.506	10	0		FFAELN
C[C@]1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCS1	ZINC000630644954	522983217	/nfs/dbraw/zinc/98/32/17/522983217.db2.gz	DGUZPDGSZTXAKN-JTDSTZFVSA-N	0	2	362.495	2.506	10	0		FFAELN
C[C@]1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCS1	ZINC000630644950	522983871	/nfs/dbraw/zinc/98/38/71/522983871.db2.gz	DGUZPDGSZTXAKN-FRQCXROJSA-N	0	2	362.495	2.506	10	0		FFAELN
C[C@]1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCS1	ZINC000630644950	522983879	/nfs/dbraw/zinc/98/38/79/522983879.db2.gz	DGUZPDGSZTXAKN-FRQCXROJSA-N	0	2	362.495	2.506	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630650453	522992813	/nfs/dbraw/zinc/99/28/13/522992813.db2.gz	YBHMDMCEXPYNEM-CVEARBPZSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630650453	522992821	/nfs/dbraw/zinc/99/28/21/522992821.db2.gz	YBHMDMCEXPYNEM-CVEARBPZSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630650456	522992948	/nfs/dbraw/zinc/99/29/48/522992948.db2.gz	YBHMDMCEXPYNEM-JKSUJKDBSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630650456	522992958	/nfs/dbraw/zinc/99/29/58/522992958.db2.gz	YBHMDMCEXPYNEM-JKSUJKDBSA-N	0	2	358.463	2.791	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2Cc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630657654	523007055	/nfs/dbraw/zinc/00/70/55/523007055.db2.gz	PQYMMGILWBNIIZ-HOJAQTOUSA-N	0	2	364.445	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2Cc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630657654	523007064	/nfs/dbraw/zinc/00/70/64/523007064.db2.gz	PQYMMGILWBNIIZ-HOJAQTOUSA-N	0	2	364.445	2.560	10	0		FFAELN
O=S(=O)(Nc1cccc(-c2ncon2)c1)c1cc(F)c(F)cc1F	ZINC000105591827	250217907	/nfs/dbraw/zinc/21/79/07/250217907.db2.gz	ZDLOAKXPEYFMHQ-UHFFFAOYSA-N	0	2	355.297	2.955	10	0		FFAELN
O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000329162094	258131088	/nfs/dbraw/zinc/13/10/88/258131088.db2.gz	FWZMVEIAGSEGIX-WCQYABFASA-N	0	2	373.438	2.717	10	0		FFAELN
C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccc2c(c1)OCCO2	ZINC000072857218	507864922	/nfs/dbraw/zinc/86/49/22/507864922.db2.gz	CWIXDSBNTHSXHZ-ZDUSSCGKSA-N	0	2	365.389	2.840	10	0		FFAELN
CC(C)(C)c1noc(CCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)n1	ZINC000109624647	507972484	/nfs/dbraw/zinc/97/24/84/507972484.db2.gz	HNUFAKBQXGGBSR-UHFFFAOYSA-N	0	2	358.377	2.863	10	0		FFAELN
COc1ccc([C@H]2C[C@H](C)N(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)cc1	ZINC000119272446	508761881	/nfs/dbraw/zinc/76/18/81/508761881.db2.gz	JEFDMMKIWFBFTA-JSGCOSHPSA-N	0	2	366.421	2.701	10	0		FFAELN
CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1	ZINC000187347499	510210891	/nfs/dbraw/zinc/21/08/91/510210891.db2.gz	NEMDOUSXQXPZHP-SNVBAGLBSA-N	0	2	352.797	2.816	10	0		FFAELN
C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nc2c[nH]cnc-2n1	ZINC000187481296	510292558	/nfs/dbraw/zinc/29/25/58/510292558.db2.gz	DZRDQBCSBDWYEO-JTQLQIEISA-N	0	2	355.379	2.543	10	0		FFAELN
C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000246141997	510317881	/nfs/dbraw/zinc/31/78/81/510317881.db2.gz	NXIMVZXPUBTMLU-HKUYNNGSSA-N	0	2	352.482	2.863	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)o1	ZINC000185074345	510668809	/nfs/dbraw/zinc/66/88/09/510668809.db2.gz	GFZYWLBWBUZIFE-ZDUSSCGKSA-N	0	2	355.398	2.846	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630645155	522982907	/nfs/dbraw/zinc/98/29/07/522982907.db2.gz	NQFAKSUMYCDPNH-MOPGFXCFSA-N	0	2	366.417	2.946	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630645155	522982917	/nfs/dbraw/zinc/98/29/17/522982917.db2.gz	NQFAKSUMYCDPNH-MOPGFXCFSA-N	0	2	366.417	2.946	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC2(C3CC3)CCC2)[N@@H+]1Cc1ccccc1	ZINC000630648079	522990285	/nfs/dbraw/zinc/99/02/85/522990285.db2.gz	NPYFVXYBODIHLD-ROUUACIJSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC2(C3CC3)CCC2)[N@H+]1Cc1ccccc1	ZINC000630648079	522990301	/nfs/dbraw/zinc/99/03/01/522990301.db2.gz	NPYFVXYBODIHLD-ROUUACIJSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC(C2CC2)C2CC2)[N@@H+]1Cc1ccccc1	ZINC000630661332	523015817	/nfs/dbraw/zinc/01/58/17/523015817.db2.gz	QQEFNMDQZADLFR-OALUTQOASA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCC(C2CC2)C2CC2)[N@H+]1Cc1ccccc1	ZINC000630661332	523015823	/nfs/dbraw/zinc/01/58/23/523015823.db2.gz	QQEFNMDQZADLFR-OALUTQOASA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CC23CCCCC3)[N@@H+]1Cc1ccccc1	ZINC000630662557	523018571	/nfs/dbraw/zinc/01/85/71/523018571.db2.gz	FSBMBKMWNQKTKR-BZSNNMDCSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CC23CCCCC3)[N@H+]1Cc1ccccc1	ZINC000630662557	523018581	/nfs/dbraw/zinc/01/85/81/523018581.db2.gz	FSBMBKMWNQKTKR-BZSNNMDCSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000286519330	257041015	/nfs/dbraw/zinc/04/10/15/257041015.db2.gz	XOSNITCGNIHGPF-WQAKAFBOSA-N	0	2	360.237	2.701	10	0		FFAELN
O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000329162091	258131356	/nfs/dbraw/zinc/13/13/56/258131356.db2.gz	FWZMVEIAGSEGIX-AAEUAGOBSA-N	0	2	373.438	2.717	10	0		FFAELN
Nc1cc(S(=O)(=O)Nc2ccc(Br)cn2)c(F)cc1F	ZINC000034938961	506373586	/nfs/dbraw/zinc/37/35/86/506373586.db2.gz	FGRVLAJHNXKBNH-UHFFFAOYSA-N	0	2	364.171	2.505	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N[C@H](c1nccs1)c1ccccc1)c2=O	ZINC000119220958	508750230	/nfs/dbraw/zinc/75/02/30/508750230.db2.gz	HPOJAUCKYSHLSX-AWEZNQCLSA-N	0	2	365.418	2.650	10	0		FFAELN
COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1	ZINC000154540256	508805338	/nfs/dbraw/zinc/80/53/38/508805338.db2.gz	QMIUHNUHFOJRKE-GOEBONIOSA-N	0	2	372.469	2.700	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCOCC2(CCOCC2)C1	ZINC000182637672	509345201	/nfs/dbraw/zinc/34/52/01/509345201.db2.gz	LFAVWCPXUAUHCH-UHFFFAOYSA-N	0	2	360.237	2.968	10	0		FFAELN
C[C@@](NC(=O)c1ccc(Cl)c(Cl)c1O)(C(N)=O)c1ccccc1	ZINC000179496201	509478413	/nfs/dbraw/zinc/47/84/13/509478413.db2.gz	YSBHIYPBQNVCPO-INIZCTEOSA-N	0	2	353.205	2.830	10	0		FFAELN
CCOCC[N@@H+]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1C	ZINC000175241368	510547200	/nfs/dbraw/zinc/54/72/00/510547200.db2.gz	DJHLDBGBXBYIME-LLVKDONJSA-N	0	2	361.269	2.882	10	0		FFAELN
CCOCC[N@H+]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1C	ZINC000175241368	510547208	/nfs/dbraw/zinc/54/72/08/510547208.db2.gz	DJHLDBGBXBYIME-LLVKDONJSA-N	0	2	361.269	2.882	10	0		FFAELN
Cc1nc(C=Cc2[nH+]ccn2-c2ccccc2)[nH]c(=O)c1CCC(=O)[O-]	ZINC000443442913	513970318	/nfs/dbraw/zinc/97/03/18/513970318.db2.gz	MPAVSSKMVKKRNE-HJWRWDBZSA-N	0	2	350.378	2.864	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)COC3)[N@@H+]1Cc1ccccc1	ZINC000630646912	522987900	/nfs/dbraw/zinc/98/79/00/522987900.db2.gz	CYYKKCCANPSTOS-RTBURBONSA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)COC3)[N@H+]1Cc1ccccc1	ZINC000630646912	522987904	/nfs/dbraw/zinc/98/79/04/522987904.db2.gz	CYYKKCCANPSTOS-RTBURBONSA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC2(F)F)[N@@H+]1Cc1ccccc1	ZINC000630653189	522999467	/nfs/dbraw/zinc/99/94/67/522999467.db2.gz	UJUIGMSPPRJGFA-JYJNAYRXSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC2(F)F)[N@H+]1Cc1ccccc1	ZINC000630653189	522999475	/nfs/dbraw/zinc/99/94/75/522999475.db2.gz	UJUIGMSPPRJGFA-JYJNAYRXSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCc3ccc(F)cc32)[N@@H+]1Cc1ccccc1	ZINC000630665611	523022953	/nfs/dbraw/zinc/02/29/53/523022953.db2.gz	APJUGIDQOKFAQI-QZTJIDSGSA-N	0	2	368.408	2.833	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCc3ccc(F)cc32)[N@H+]1Cc1ccccc1	ZINC000630665611	523022958	/nfs/dbraw/zinc/02/29/58/523022958.db2.gz	APJUGIDQOKFAQI-QZTJIDSGSA-N	0	2	368.408	2.833	10	0		FFAELN
Cc1cc2cc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)ccc2[nH]1	ZINC000001502424	210356337	/nfs/dbraw/zinc/35/63/37/210356337.db2.gz	DYJCPNLAYYKVCC-UHFFFAOYSA-N	0	2	364.448	2.681	10	0		FFAELN
COc1cccc(N2CC[C@@H](CNC(=O)c3c(O)cc(F)cc3F)C2)c1	ZINC000102484543	508276674	/nfs/dbraw/zinc/27/66/74/508276674.db2.gz	PKHWFXPUCXJIPD-LBPRGKRZSA-N	0	2	362.376	2.935	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@](C)(c3ccccc3)C1)c2=O	ZINC000119251114	508757394	/nfs/dbraw/zinc/75/73/94/508757394.db2.gz	XOGWRKGFUJDMPY-FQEVSTJZSA-N	0	2	350.422	2.868	10	0		FFAELN
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2OC)C1	ZINC000155226293	508952454	/nfs/dbraw/zinc/95/24/54/508952454.db2.gz	DRQQARMBRXTPLC-MOPGFXCFSA-N	0	2	373.497	2.669	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3cc(F)cc(F)c3)sc2C1	ZINC000121491386	509176722	/nfs/dbraw/zinc/17/67/22/509176722.db2.gz	HBSLZSIBFZMJKI-UHFFFAOYSA-N	0	2	359.423	2.600	10	0		FFAELN
CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1	ZINC000245415477	509917444	/nfs/dbraw/zinc/91/74/44/509917444.db2.gz	DHWIVLIUOBRQNY-GHTZIAJQSA-N	0	2	372.557	2.678	10	0		FFAELN
COc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644801	522983069	/nfs/dbraw/zinc/98/30/69/522983069.db2.gz	LZNRAAWRFHQBET-IRXDYDNUSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644801	522983074	/nfs/dbraw/zinc/98/30/74/522983074.db2.gz	LZNRAAWRFHQBET-IRXDYDNUSA-N	0	2	354.406	2.752	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@@H+]1Cc1ccccc1	ZINC000630644440	522983655	/nfs/dbraw/zinc/98/36/55/522983655.db2.gz	KDFFIKFTLWEVHH-ZWKOTPCHSA-N	0	2	364.405	2.619	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@H+]1Cc1ccccc1	ZINC000630644440	522983662	/nfs/dbraw/zinc/98/36/62/522983662.db2.gz	KDFFIKFTLWEVHH-ZWKOTPCHSA-N	0	2	364.405	2.619	10	0		FFAELN
COc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646713	522986261	/nfs/dbraw/zinc/98/62/61/522986261.db2.gz	YTUVFHDPVJHHHJ-MSOLQXFVSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646713	522986267	/nfs/dbraw/zinc/98/62/67/522986267.db2.gz	YTUVFHDPVJHHHJ-MSOLQXFVSA-N	0	2	354.406	2.752	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)F	ZINC000630647719	522990324	/nfs/dbraw/zinc/99/03/24/522990324.db2.gz	CBHDKEICYZQXNE-NWANDNLSSA-N	0	2	354.397	2.512	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)F	ZINC000630647719	522990336	/nfs/dbraw/zinc/99/03/36/522990336.db2.gz	CBHDKEICYZQXNE-NWANDNLSSA-N	0	2	354.397	2.512	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)[N@@H+]1Cc1ccccc1	ZINC000630650655	522991365	/nfs/dbraw/zinc/99/13/65/522991365.db2.gz	QBOJVXLZIBSCRC-QTMHVTGLSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)[N@H+]1Cc1ccccc1	ZINC000630650655	522991374	/nfs/dbraw/zinc/99/13/74/522991374.db2.gz	QBOJVXLZIBSCRC-QTMHVTGLSA-N	0	2	356.466	2.657	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630657480	523009497	/nfs/dbraw/zinc/00/94/97/523009497.db2.gz	MNLZUPPTEXFBQF-OIISXLGYSA-N	0	2	356.422	2.917	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630657480	523009509	/nfs/dbraw/zinc/00/95/09/523009509.db2.gz	MNLZUPPTEXFBQF-OIISXLGYSA-N	0	2	356.422	2.917	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630663424	523019774	/nfs/dbraw/zinc/01/97/74/523019774.db2.gz	AVFLAZWWYBPCKQ-FGTMMUONSA-N	0	2	374.481	2.520	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630663424	523019780	/nfs/dbraw/zinc/01/97/80/523019780.db2.gz	AVFLAZWWYBPCKQ-FGTMMUONSA-N	0	2	374.481	2.520	10	0		FFAELN
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671657	523034533	/nfs/dbraw/zinc/03/45/33/523034533.db2.gz	ZVFAHSONMNDCOJ-SJORKVTESA-N	0	2	374.481	2.520	10	0		FFAELN
CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671657	523034541	/nfs/dbraw/zinc/03/45/41/523034541.db2.gz	ZVFAHSONMNDCOJ-SJORKVTESA-N	0	2	374.481	2.520	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)o2)[N@@H+]1Cc1ccccc1	ZINC000630672666	523036010	/nfs/dbraw/zinc/03/60/10/523036010.db2.gz	NOTCZXNPGIMEME-HUUCEWRRSA-N	0	2	362.813	2.667	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(Cl)o2)[N@H+]1Cc1ccccc1	ZINC000630672666	523036017	/nfs/dbraw/zinc/03/60/17/523036017.db2.gz	NOTCZXNPGIMEME-HUUCEWRRSA-N	0	2	362.813	2.667	10	0		FFAELN
COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1O	ZINC000000899675	210288797	/nfs/dbraw/zinc/28/87/97/210288797.db2.gz	BTMNGQCCCWTUQH-UHFFFAOYSA-N	0	2	360.318	2.603	10	0	endogenous,in-man	FFAELN
Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1	ZINC000328672060	258117536	/nfs/dbraw/zinc/11/75/36/258117536.db2.gz	HVFDUZFIXIYDKQ-KDOFPFPSSA-N	0	2	353.470	2.614	10	0		FFAELN
Nc1noc(CCNc2nc(C3CC3)nc3sc4c(c32)CCCC4)n1	ZINC000329612619	258142932	/nfs/dbraw/zinc/14/29/32/258142932.db2.gz	DPOJKSSXZNCQBO-UHFFFAOYSA-N	0	2	356.455	2.898	10	0		FFAELN
Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c2c([nH+]1)CCCC2	ZINC000332993233	258244732	/nfs/dbraw/zinc/24/47/32/258244732.db2.gz	BPEWLXSSSMVVOA-OXJNMPFZSA-N	0	2	368.529	2.917	10	0		FFAELN
CCCn1cc(C[N@@H+]2CCCN(Cc3ccc(C(=O)OC)cc3)CC2)cn1	ZINC000106158600	508396488	/nfs/dbraw/zinc/39/64/88/508396488.db2.gz	ZLKZGPMZNVGXGS-UHFFFAOYSA-N	0	2	370.497	2.788	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCO[C@@H](c3ccc(Cl)cc3)C1)c2=O	ZINC000179442251	509445060	/nfs/dbraw/zinc/44/50/60/509445060.db2.gz	XTMIWZHKVWDHLJ-OAHLLOKOSA-N	0	2	372.812	2.541	10	0		FFAELN
COc1ccccc1C[C@@H]1CCCN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000179462567	509456016	/nfs/dbraw/zinc/45/60/16/509456016.db2.gz	JZFNQUZOLVVGBD-AWEZNQCLSA-N	0	2	366.421	2.530	10	0		FFAELN
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[N@H+](CC)C1	ZINC000174236998	510018023	/nfs/dbraw/zinc/01/80/23/510018023.db2.gz	XYSXIKICSDFGTC-LJQANCHMSA-N	0	2	373.545	2.814	10	0		FFAELN
CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)CC2	ZINC000194514000	510403601	/nfs/dbraw/zinc/40/36/01/510403601.db2.gz	LWINURWYIHIDPY-JTQLQIEISA-N	0	2	352.797	2.644	10	0		FFAELN
Cc1nc(C[C@H]2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)C2)no1	ZINC000194588133	510435143	/nfs/dbraw/zinc/43/51/43/510435143.db2.gz	YONKRHURBVONFU-SNVBAGLBSA-N	0	2	353.781	2.971	10	0		FFAELN
CCSC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC1	ZINC000600982456	520573101	/nfs/dbraw/zinc/57/31/01/520573101.db2.gz	AJJHIQRAIVPRJT-JKSUJKDBSA-N	0	2	362.495	2.506	10	0		FFAELN
CCSC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC1	ZINC000600982456	520573106	/nfs/dbraw/zinc/57/31/06/520573106.db2.gz	AJJHIQRAIVPRJT-JKSUJKDBSA-N	0	2	362.495	2.506	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630645158	522985108	/nfs/dbraw/zinc/98/51/08/522985108.db2.gz	NQFAKSUMYCDPNH-RTBURBONSA-N	0	2	366.417	2.946	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630645158	522985114	/nfs/dbraw/zinc/98/51/14/522985114.db2.gz	NQFAKSUMYCDPNH-RTBURBONSA-N	0	2	366.417	2.946	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630646316	522985498	/nfs/dbraw/zinc/98/54/98/522985498.db2.gz	VFMYCONDTWHXIN-BHYGNILZSA-N	0	2	356.422	2.883	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630646316	522985503	/nfs/dbraw/zinc/98/55/03/522985503.db2.gz	VFMYCONDTWHXIN-BHYGNILZSA-N	0	2	356.422	2.883	10	0		FFAELN
COCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630646543	522986071	/nfs/dbraw/zinc/98/60/71/522986071.db2.gz	XBPSAILIAHMVNJ-OALUTQOASA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630646543	522986075	/nfs/dbraw/zinc/98/60/75/522986075.db2.gz	XBPSAILIAHMVNJ-OALUTQOASA-N	0	2	368.433	2.889	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(C3CC3)CCC2)[N@@H+]1Cc1ccccc1	ZINC000630648078	522988543	/nfs/dbraw/zinc/98/85/43/522988543.db2.gz	NPYFVXYBODIHLD-QZTJIDSGSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2(C3CC3)CCC2)[N@H+]1Cc1ccccc1	ZINC000630648078	522988551	/nfs/dbraw/zinc/98/85/51/522988551.db2.gz	NPYFVXYBODIHLD-QZTJIDSGSA-N	0	2	356.466	2.801	10	0		FFAELN
Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1O	ZINC000630650485	522992892	/nfs/dbraw/zinc/99/28/92/522992892.db2.gz	YRHXSVHZQPNFCV-IAGOWNOFSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1O	ZINC000630650485	522992899	/nfs/dbraw/zinc/99/28/99/522992899.db2.gz	YRHXSVHZQPNFCV-IAGOWNOFSA-N	0	2	354.406	2.757	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630653357	522999688	/nfs/dbraw/zinc/99/96/88/522999688.db2.gz	KFIDKUAEBDGCPP-AQNXPRMDSA-N	0	2	364.445	2.908	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630653357	522999697	/nfs/dbraw/zinc/99/96/97/522999697.db2.gz	KFIDKUAEBDGCPP-AQNXPRMDSA-N	0	2	364.445	2.908	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630667189	523024731	/nfs/dbraw/zinc/02/47/31/523024731.db2.gz	AETINPSKQAIWHF-IRXDYDNUSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630667189	523024739	/nfs/dbraw/zinc/02/47/39/523024739.db2.gz	AETINPSKQAIWHF-IRXDYDNUSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1csc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3C)n1	ZINC000223690906	729547178	/nfs/dbraw/zinc/54/71/78/729547178.db2.gz	LKOAOMBTADLKPR-UHFFFAOYSA-N	0	2	365.480	2.896	10	0		FFAELN
Cc1ccnc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)n1	ZINC000588450572	845963392	/nfs/dbraw/zinc/96/33/92/845963392.db2.gz	FJXIYIIYUOGCGS-CLFYSBASSA-N	0	2	354.229	2.960	10	0		FFAELN
O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000329162092	258131119	/nfs/dbraw/zinc/13/11/19/258131119.db2.gz	FWZMVEIAGSEGIX-DGCLKSJQSA-N	0	2	373.438	2.717	10	0		FFAELN
COc1ncc(Br)cc1NS(=O)(=O)c1ccc(O)c(C)c1	ZINC000224370852	509356822	/nfs/dbraw/zinc/35/68/22/509356822.db2.gz	IWABHORHUIHAQS-UHFFFAOYSA-N	0	2	373.228	2.668	10	0		FFAELN
Cc1ccc(CC(=O)N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)cc1	ZINC000101679337	508254064	/nfs/dbraw/zinc/25/40/64/508254064.db2.gz	ARIGRIABOVEKAP-UHFFFAOYSA-N	0	2	374.387	2.506	10	0		FFAELN
CCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H](C)CS(=O)(=O)CC	ZINC000113437309	508268238	/nfs/dbraw/zinc/26/82/38/508268238.db2.gz	PHIQFCARGBDLJS-VIFPVBQESA-N	0	2	368.282	2.984	10	0		FFAELN
CNC(=O)c1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2O)c1	ZINC000106457276	508400917	/nfs/dbraw/zinc/40/09/17/508400917.db2.gz	INOZRXJCBRVTRZ-UHFFFAOYSA-N	0	2	353.205	2.989	10	0		FFAELN
Cc1cc(C)cc([C@H]2CCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)c1	ZINC000133773502	508447547	/nfs/dbraw/zinc/44/75/47/508447547.db2.gz	PXHRHEYDCRRQRI-AWEZNQCLSA-N	0	2	350.422	2.920	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N[C@@H](c1nccs1)c1ccccc1)c2=O	ZINC000119221066	508751624	/nfs/dbraw/zinc/75/16/24/508751624.db2.gz	HPOJAUCKYSHLSX-CQSZACIVSA-N	0	2	365.418	2.650	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2C1	ZINC000121488896	509176573	/nfs/dbraw/zinc/17/65/73/509176573.db2.gz	OHQLVCDLPWZWDQ-UHFFFAOYSA-N	0	2	357.888	2.975	10	0		FFAELN
CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1	ZINC000247635101	510867501	/nfs/dbraw/zinc/86/75/01/510867501.db2.gz	UCIWGEJDNOLCAZ-DFQSSKMNSA-N	0	2	367.497	2.895	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccccc2F)[N@@H+]1Cc1ccccc1	ZINC000630646552	522985559	/nfs/dbraw/zinc/98/55/59/522985559.db2.gz	XCXJXNKTVJVDBD-ROUUACIJSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccccc2F)[N@H+]1Cc1ccccc1	ZINC000630646552	522985567	/nfs/dbraw/zinc/98/55/67/522985567.db2.gz	XCXJXNKTVJVDBD-ROUUACIJSA-N	0	2	356.397	2.560	10	0		FFAELN
COc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646718	522986493	/nfs/dbraw/zinc/98/64/93/522986493.db2.gz	YTUVFHDPVJHHHJ-ZWKOTPCHSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646718	522986500	/nfs/dbraw/zinc/98/65/00/522986500.db2.gz	YTUVFHDPVJHHHJ-ZWKOTPCHSA-N	0	2	354.406	2.752	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[N@@H+]1Cc1ccccc1	ZINC000630648231	522990453	/nfs/dbraw/zinc/99/04/53/522990453.db2.gz	DDBXTQCNOJQYCW-FQBWVUSXSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[N@H+]1Cc1ccccc1	ZINC000630648231	522990459	/nfs/dbraw/zinc/99/04/59/522990459.db2.gz	DDBXTQCNOJQYCW-FQBWVUSXSA-N	0	2	356.466	2.657	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630649951	522992017	/nfs/dbraw/zinc/99/20/17/522992017.db2.gz	MQJHDAAQGFSVSD-MSOLQXFVSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630649951	522992022	/nfs/dbraw/zinc/99/20/22/522992022.db2.gz	MQJHDAAQGFSVSD-MSOLQXFVSA-N	0	2	354.406	2.757	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCOC2CCCCC2)[N@@H+]1Cc1ccccc1	ZINC000630655630	523002505	/nfs/dbraw/zinc/00/25/05/523002505.db2.gz	JJFGCQPKDVMATL-MOPGFXCFSA-N	0	2	374.481	2.570	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCCOC2CCCCC2)[N@H+]1Cc1ccccc1	ZINC000630655630	523002514	/nfs/dbraw/zinc/00/25/14/523002514.db2.gz	JJFGCQPKDVMATL-MOPGFXCFSA-N	0	2	374.481	2.570	10	0		FFAELN
Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1	ZINC000134297134	728729560	/nfs/dbraw/zinc/72/95/60/728729560.db2.gz	FTYVSRJXNKDXHI-HZMBPMFUSA-N	0	2	367.808	2.504	10	0		FFAELN
C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)CC1	ZINC000152278950	508414544	/nfs/dbraw/zinc/41/45/44/508414544.db2.gz	MBYMLGMMDSYYKD-FQEVSTJZSA-N	0	2	354.498	2.944	10	0		FFAELN
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000119271206	508761912	/nfs/dbraw/zinc/76/19/12/508761912.db2.gz	FPIZQZZDKYXTCG-YPMHNXCESA-N	0	2	354.385	2.831	10	0		FFAELN
O=C(c1cc(F)cc(Cl)c1O)N1CCC(Nc2cccnn2)CC1	ZINC000133226333	509134364	/nfs/dbraw/zinc/13/43/64/509134364.db2.gz	LCJGHFXTUGLHBI-UHFFFAOYSA-N	0	2	350.781	2.691	10	0		FFAELN
COC(=O)c1oc([C@@H](C)[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C	ZINC000180614580	510015047	/nfs/dbraw/zinc/01/50/47/510015047.db2.gz	ADWNFMLLSXOCCW-MRXNPFEDSA-N	0	2	374.485	2.729	10	0		FFAELN
Cc1cnn(CCNC(=O)c2cc(Br)cc(Cl)c2O)c1	ZINC000174340305	510066859	/nfs/dbraw/zinc/06/68/59/510066859.db2.gz	XBONHGXDIDIPLK-UHFFFAOYSA-N	0	2	358.623	2.743	10	0		FFAELN
Cn1cc([C@@H]2CCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cn1	ZINC000194032646	510183810	/nfs/dbraw/zinc/18/38/10/510183810.db2.gz	BIDCQUDMKZIUKE-HNNXBMFYSA-N	0	2	371.828	2.942	10	0		FFAELN
Cc1ncc(C[NH+]2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)s1	ZINC000174773674	510304192	/nfs/dbraw/zinc/30/41/92/510304192.db2.gz	TXVAZMSZBWGZGL-UHFFFAOYSA-N	0	2	374.491	2.839	10	0		FFAELN
O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1O	ZINC000175706772	510745437	/nfs/dbraw/zinc/74/54/37/510745437.db2.gz	HOMDODFDEWJDDN-LLVKDONJSA-N	0	2	372.229	2.957	10	0		FFAELN
O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCc2ccccc2C1	ZINC000246986006	510783640	/nfs/dbraw/zinc/78/36/40/510783640.db2.gz	WDMIVZHWSAAUGP-PZJWPPBQSA-N	0	2	353.510	2.520	10	0		FFAELN
C[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC[C@H]1O	ZINC000408142087	513008949	/nfs/dbraw/zinc/00/89/49/513008949.db2.gz	YZNPSKWGMOVKMR-BXKDBHETSA-N	0	2	352.847	2.515	10	0		FFAELN
COCc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630646544	522986889	/nfs/dbraw/zinc/98/68/89/522986889.db2.gz	XBPSAILIAHMVNJ-RBUKOAKNSA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1ccccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630646544	522986897	/nfs/dbraw/zinc/98/68/97/522986897.db2.gz	XBPSAILIAHMVNJ-RBUKOAKNSA-N	0	2	368.433	2.889	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCC2(C3CC3)CCC2)[N@@H+]1Cc1ccccc1	ZINC000630648080	522989032	/nfs/dbraw/zinc/98/90/32/522989032.db2.gz	NPYFVXYBODIHLD-ZWKOTPCHSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCC2(C3CC3)CCC2)[N@H+]1Cc1ccccc1	ZINC000630648080	522989038	/nfs/dbraw/zinc/98/90/38/522989038.db2.gz	NPYFVXYBODIHLD-ZWKOTPCHSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)COC3)[N@@H+]1Cc1ccccc1	ZINC000630646910	522990102	/nfs/dbraw/zinc/99/01/02/522990102.db2.gz	CYYKKCCANPSTOS-OALUTQOASA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)COC3)[N@H+]1Cc1ccccc1	ZINC000630646910	522990116	/nfs/dbraw/zinc/99/01/16/522990116.db2.gz	CYYKKCCANPSTOS-OALUTQOASA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC2(F)F)[N@@H+]1Cc1ccccc1	ZINC000630653196	523000107	/nfs/dbraw/zinc/00/01/07/523000107.db2.gz	UJUIGMSPPRJGFA-XHSDSOJGSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC2(F)F)[N@H+]1Cc1ccccc1	ZINC000630653196	523000111	/nfs/dbraw/zinc/00/01/11/523000111.db2.gz	UJUIGMSPPRJGFA-XHSDSOJGSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCOC2CCCCC2)[N@@H+]1Cc1ccccc1	ZINC000630655631	523002064	/nfs/dbraw/zinc/00/20/64/523002064.db2.gz	JJFGCQPKDVMATL-OALUTQOASA-N	0	2	374.481	2.570	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCOC2CCCCC2)[N@H+]1Cc1ccccc1	ZINC000630655631	523002074	/nfs/dbraw/zinc/00/20/74/523002074.db2.gz	JJFGCQPKDVMATL-OALUTQOASA-N	0	2	374.481	2.570	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630658752	523009186	/nfs/dbraw/zinc/00/91/86/523009186.db2.gz	OSGZGFASXCSWNJ-LSDHHAIUSA-N	0	2	354.397	2.608	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630658752	523009192	/nfs/dbraw/zinc/00/91/92/523009192.db2.gz	OSGZGFASXCSWNJ-LSDHHAIUSA-N	0	2	354.397	2.608	10	0		FFAELN
CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671653	523034118	/nfs/dbraw/zinc/03/41/18/523034118.db2.gz	ZVFAHSONMNDCOJ-IAGOWNOFSA-N	0	2	374.481	2.520	10	0		FFAELN
CC1(C)CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671653	523034123	/nfs/dbraw/zinc/03/41/23/523034123.db2.gz	ZVFAHSONMNDCOJ-IAGOWNOFSA-N	0	2	374.481	2.520	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630675873	523039966	/nfs/dbraw/zinc/03/99/66/523039966.db2.gz	VUVDYZBCUSAKEV-CABCVRRESA-N	0	2	372.387	2.905	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630675873	523039980	/nfs/dbraw/zinc/03/99/80/523039980.db2.gz	VUVDYZBCUSAKEV-CABCVRRESA-N	0	2	372.387	2.905	10	0		FFAELN
Cc1nc([C@H]2CCCCN2C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1	ZINC000328672059	258117670	/nfs/dbraw/zinc/11/76/70/258117670.db2.gz	HVFDUZFIXIYDKQ-KBXCAEBGSA-N	0	2	353.470	2.614	10	0		FFAELN
Cc1nc([C@H]2CCCCN2C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1	ZINC000328672062	258117688	/nfs/dbraw/zinc/11/76/88/258117688.db2.gz	HVFDUZFIXIYDKQ-RDTXWAMCSA-N	0	2	353.470	2.614	10	0		FFAELN
C[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccc2ccccc2c1	ZINC000048178800	507472073	/nfs/dbraw/zinc/47/20/73/507472073.db2.gz	PASSOVPVPGWPCN-LLVKDONJSA-N	0	2	360.373	2.668	10	0		FFAELN
Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)s1	ZINC000108381989	507891750	/nfs/dbraw/zinc/89/17/50/507891750.db2.gz	KHQDDBRJLWOEGR-UHFFFAOYSA-N	0	2	361.448	2.916	10	0		FFAELN
Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1	ZINC000101850406	508258689	/nfs/dbraw/zinc/25/86/89/508258689.db2.gz	QVVGANZGQAUADT-UHFFFAOYSA-N	0	2	359.411	2.755	10	0		FFAELN
NC(=O)COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cc1	ZINC000106457037	508400930	/nfs/dbraw/zinc/40/09/30/508400930.db2.gz	QBYYOPIUVHDFJO-UHFFFAOYSA-N	0	2	355.177	2.815	10	0		FFAELN
Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(F)cc(Cl)c3O)CCO2)n1	ZINC000151114893	508960387	/nfs/dbraw/zinc/96/03/87/508960387.db2.gz	XXELAGKQWOLZNP-ZDUSSCGKSA-N	0	2	367.808	2.539	10	0		FFAELN
Cc1ccc(C[C@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1	ZINC000132711404	509065525	/nfs/dbraw/zinc/06/55/25/509065525.db2.gz	GKSZDYGFOHOTCR-OAHLLOKOSA-N	0	2	350.422	2.830	10	0		FFAELN
Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)C2)n1	ZINC000152088772	509143558	/nfs/dbraw/zinc/14/35/58/509143558.db2.gz	UBTRXURACALLKD-LBPRGKRZSA-N	0	2	366.824	2.945	10	0		FFAELN
CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(OC)cc2)C1	ZINC000247874029	509183668	/nfs/dbraw/zinc/18/36/68/509183668.db2.gz	YEQUUIHBEGZHOT-RBUKOAKNSA-N	0	2	373.497	2.669	10	0		FFAELN
C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1	ZINC000248641069	509409431	/nfs/dbraw/zinc/40/94/31/509409431.db2.gz	CHSNNUUQDVQTKA-CTNGQTDRSA-N	0	2	364.493	2.641	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)c2=O	ZINC000185960813	509450236	/nfs/dbraw/zinc/45/02/36/509450236.db2.gz	AEXUWTZVLWLMRV-HNNXBMFYSA-N	0	2	372.812	2.541	10	0		FFAELN
CCO[C@@H]1C[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C12CCOCC2	ZINC000186467877	509723201	/nfs/dbraw/zinc/72/32/01/509723201.db2.gz	JNDHIMHFIANMNF-VXGBXAGGSA-N	0	2	359.344	2.514	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000186854395	509913669	/nfs/dbraw/zinc/91/36/69/509913669.db2.gz	KWAAKCDTIWXZKJ-CQSZACIVSA-N	0	2	362.380	2.966	10	0		FFAELN
COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)o1	ZINC000190465856	510147314	/nfs/dbraw/zinc/14/73/14/510147314.db2.gz	SXWXLDMNRPMPPQ-AWEZNQCLSA-N	0	2	363.483	2.785	10	0		FFAELN
O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccc1F	ZINC000171612490	510251606	/nfs/dbraw/zinc/25/16/06/510251606.db2.gz	WBBGFEKDRRTETH-UHFFFAOYSA-N	0	2	371.195	2.998	10	0		FFAELN
O=c1nc(CN2CCCC[C@H]2c2nnc3n2CCCC3)[nH]c2ccsc21	ZINC000171640341	510269587	/nfs/dbraw/zinc/26/95/87/510269587.db2.gz	KIKJJLMWLHZZOD-ZDUSSCGKSA-N	0	2	370.482	2.640	10	0		FFAELN
O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cc(F)c(O)c(Cl)c1	ZINC000194385483	510338767	/nfs/dbraw/zinc/33/87/67/510338767.db2.gz	CKVFLKCHIMZKEI-CYBMUJFWSA-N	0	2	369.801	2.833	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1)c2=O	ZINC000182137070	510775050	/nfs/dbraw/zinc/77/50/50/510775050.db2.gz	YGPGTFDDJLMWAC-CQSZACIVSA-N	0	2	364.405	2.552	10	0		FFAELN
Cc1cc(Br)oc1C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000408073009	512994053	/nfs/dbraw/zinc/99/40/53/512994053.db2.gz	PHMCVSTXCMUNDW-MRVPVSSYSA-N	0	2	355.192	2.542	10	0		FFAELN
C[C@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC[C@@H]1O	ZINC000408142089	513008850	/nfs/dbraw/zinc/00/88/50/513008850.db2.gz	YZNPSKWGMOVKMR-CABZTGNLSA-N	0	2	352.847	2.515	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648216	522990070	/nfs/dbraw/zinc/99/00/70/522990070.db2.gz	FEESLXKAJPVOMN-AEGPPILISA-N	0	2	372.387	2.809	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648216	522990080	/nfs/dbraw/zinc/99/00/80/522990080.db2.gz	FEESLXKAJPVOMN-AEGPPILISA-N	0	2	372.387	2.809	10	0		FFAELN
CC1(C)CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671650	523033319	/nfs/dbraw/zinc/03/33/19/523033319.db2.gz	ZVFAHSONMNDCOJ-DLBZAZTESA-N	0	2	374.481	2.520	10	0		FFAELN
CC1(C)CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC(C)(C)O1	ZINC000630671650	523033322	/nfs/dbraw/zinc/03/33/22/523033322.db2.gz	ZVFAHSONMNDCOJ-DLBZAZTESA-N	0	2	374.481	2.520	10	0		FFAELN
CCN(C(C)=O)c1nc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)cs1	ZINC000692506869	976516449	/nfs/dbraw/zinc/51/64/49/976516449.db2.gz	GKTPULMENHYIBL-UHFFFAOYSA-N	0	2	361.467	2.993	10	0		FFAELN
CCN(C(C)=O)c1nc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)cs1	ZINC000692506869	976516462	/nfs/dbraw/zinc/51/64/62/976516462.db2.gz	GKTPULMENHYIBL-UHFFFAOYSA-N	0	2	361.467	2.993	10	0		FFAELN
CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)N3CCCC3)c(=O)[nH]2)cc1	ZINC000034763589	506369477	/nfs/dbraw/zinc/36/94/77/506369477.db2.gz	IRHBRFKXNGNWCE-CQSZACIVSA-N	0	2	370.453	2.977	10	0		FFAELN
C[N@H+](Cc1cc(C2CC2)n[nH]1)[C@@H](C(=O)[O-])c1ccc(-c2cc[nH]n2)cc1	ZINC000095502424	508191369	/nfs/dbraw/zinc/19/13/69/508191369.db2.gz	UGRVIBCRRPSYAS-GOSISDBHSA-N	0	2	351.410	2.935	10	0		FFAELN
C[N@@H+](Cc1cc(C2CC2)n[nH]1)[C@@H](C(=O)[O-])c1ccc(-c2cc[nH]n2)cc1	ZINC000095502424	508191371	/nfs/dbraw/zinc/19/13/71/508191371.db2.gz	UGRVIBCRRPSYAS-GOSISDBHSA-N	0	2	351.410	2.935	10	0		FFAELN
CC(C)CC(=O)N[C@@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)C	ZINC000113428583	508267374	/nfs/dbraw/zinc/26/73/74/508267374.db2.gz	LGGJQZADEHTKQV-OAHLLOKOSA-N	0	2	361.421	2.736	10	0		FFAELN
O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCCC[C@H]1c1cn[nH]c1	ZINC000127383528	508442538	/nfs/dbraw/zinc/44/25/38/508442538.db2.gz	YCMGXINTEPGOCY-HNNXBMFYSA-N	0	2	355.373	2.808	10	0		FFAELN
COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Cl)c(Cl)c1O	ZINC000134395571	508527976	/nfs/dbraw/zinc/52/79/76/508527976.db2.gz	ZMGGFKVLYZKQDL-JTQLQIEISA-N	0	2	371.224	2.702	10	0		FFAELN
O=c1nc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)[nH]c2ccsc21	ZINC000121488809	509176435	/nfs/dbraw/zinc/17/64/35/509176435.db2.gz	QZYMMWZYKXVVPN-QMTHXVAHSA-N	0	2	363.389	2.571	10	0		FFAELN
CCN(C(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000182889542	509478437	/nfs/dbraw/zinc/47/84/37/509478437.db2.gz	IEURDGLORZFRLA-FPOVZHCZSA-N	0	2	372.557	2.530	10	0		FFAELN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000182901597	509486204	/nfs/dbraw/zinc/48/62/04/509486204.db2.gz	RZDRHLIRYFVCBC-VIFPVBQESA-N	0	2	374.359	2.939	10	0		FFAELN
CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1	ZINC000190481982	510155599	/nfs/dbraw/zinc/15/55/99/510155599.db2.gz	DJMDMRXCWLRZEL-MRXNPFEDSA-N	0	2	361.921	2.985	10	0		FFAELN
Cc1cc(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000178805738	510782683	/nfs/dbraw/zinc/78/26/83/510782683.db2.gz	NOYCASFAMPFPCO-IINYFYTJSA-N	0	2	364.405	2.701	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644828	522983183	/nfs/dbraw/zinc/98/31/83/522983183.db2.gz	CQJFTJARUOJRLU-AFAVFJNCSA-N	0	2	371.437	2.586	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644828	522983188	/nfs/dbraw/zinc/98/31/88/522983188.db2.gz	CQJFTJARUOJRLU-AFAVFJNCSA-N	0	2	371.437	2.586	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)COC3)[N@@H+]1Cc1ccccc1	ZINC000630646911	522987754	/nfs/dbraw/zinc/98/77/54/522987754.db2.gz	CYYKKCCANPSTOS-RBUKOAKNSA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)COC3)[N@H+]1Cc1ccccc1	ZINC000630646911	522987759	/nfs/dbraw/zinc/98/77/59/522987759.db2.gz	CYYKKCCANPSTOS-RBUKOAKNSA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)COC3)[N@@H+]1Cc1ccccc1	ZINC000630646909	522988414	/nfs/dbraw/zinc/98/84/14/522988414.db2.gz	CYYKKCCANPSTOS-MOPGFXCFSA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)COC3)[N@H+]1Cc1ccccc1	ZINC000630646909	522988418	/nfs/dbraw/zinc/98/84/18/522988418.db2.gz	CYYKKCCANPSTOS-MOPGFXCFSA-N	0	2	366.417	2.773	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCCOC2CCCCC2)[N@@H+]1Cc1ccccc1	ZINC000630655633	523001560	/nfs/dbraw/zinc/00/15/60/523001560.db2.gz	JJFGCQPKDVMATL-RTBURBONSA-N	0	2	374.481	2.570	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCCOC2CCCCC2)[N@H+]1Cc1ccccc1	ZINC000630655633	523001569	/nfs/dbraw/zinc/00/15/69/523001569.db2.gz	JJFGCQPKDVMATL-RTBURBONSA-N	0	2	374.481	2.570	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672626	523032523	/nfs/dbraw/zinc/03/25/23/523032523.db2.gz	NHUQWTCFJLTIIG-IRXDYDNUSA-N	0	2	358.463	2.824	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672626	523032530	/nfs/dbraw/zinc/03/25/30/523032530.db2.gz	NHUQWTCFJLTIIG-IRXDYDNUSA-N	0	2	358.463	2.824	10	0		FFAELN
Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3nc4cccnc4s3)CCC[NH+]2C)cn1	ZINC000333011022	258244776	/nfs/dbraw/zinc/24/47/76/258244776.db2.gz	FVQCEYNRIULNAP-KBXCAEBGSA-N	0	2	370.526	2.940	10	0		FFAELN
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2nc3ccccc3[nH]2)CC1	ZINC000095083622	508172640	/nfs/dbraw/zinc/17/26/40/508172640.db2.gz	JOYHEFLLYXGJIG-UHFFFAOYSA-N	0	2	365.455	2.736	10	0		FFAELN
Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(F)c(F)c(O)c3F)C2)no1	ZINC000185848768	509385165	/nfs/dbraw/zinc/38/51/65/509385165.db2.gz	VNTBABDVZMZYMS-VIFPVBQESA-N	0	2	355.316	2.596	10	0		FFAELN
CCc1csc([C@H]2CCCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)n1	ZINC000179497554	509478888	/nfs/dbraw/zinc/47/88/88/509478888.db2.gz	LNMFUFVPTFSYCU-NSHDSACASA-N	0	2	371.466	2.713	10	0		FFAELN
Cc1noc([C@@]23C[N@@H+](Cc4cccnc4)C[C@@H]2CC[NH+](CC(C)C)C3)n1	ZINC000257184605	509948681	/nfs/dbraw/zinc/94/86/81/509948681.db2.gz	ISPADBNWOVMHLS-ICSRJNTNSA-N	0	2	355.486	2.505	10	0		FFAELN
Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630645539	522986437	/nfs/dbraw/zinc/98/64/37/522986437.db2.gz	PURMAQQAARPRHF-IAGOWNOFSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630645539	522986442	/nfs/dbraw/zinc/98/64/42/522986442.db2.gz	PURMAQQAARPRHF-IAGOWNOFSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630647399	522989317	/nfs/dbraw/zinc/98/93/17/522989317.db2.gz	KKHZGWQCOTXDBC-NUEKZKHPSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630647399	522989325	/nfs/dbraw/zinc/98/93/25/522989325.db2.gz	KKHZGWQCOTXDBC-NUEKZKHPSA-N	0	2	373.478	2.747	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649444	522991244	/nfs/dbraw/zinc/99/12/44/522991244.db2.gz	TUQYRXYNCJHLSK-ROUUACIJSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649444	522991252	/nfs/dbraw/zinc/99/12/52/522991252.db2.gz	TUQYRXYNCJHLSK-ROUUACIJSA-N	0	2	372.396	2.891	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cccc3c2CCO3)[N@@H+]1Cc1ccccc1	ZINC000630652355	522994624	/nfs/dbraw/zinc/99/46/24/522994624.db2.gz	QLEOMOJASPQBHO-ROUUACIJSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cccc3c2CCO3)[N@H+]1Cc1ccccc1	ZINC000630652355	522994635	/nfs/dbraw/zinc/99/46/35/522994635.db2.gz	QLEOMOJASPQBHO-ROUUACIJSA-N	0	2	366.417	2.678	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660833	523015789	/nfs/dbraw/zinc/01/57/89/523015789.db2.gz	ZDSAFTNZXPBTPS-ZWKOTPCHSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660833	523015795	/nfs/dbraw/zinc/01/57/95/523015795.db2.gz	ZDSAFTNZXPBTPS-ZWKOTPCHSA-N	0	2	368.433	2.776	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630675875	523038745	/nfs/dbraw/zinc/03/87/45/523038745.db2.gz	VUVDYZBCUSAKEV-HUUCEWRRSA-N	0	2	372.387	2.905	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630675875	523038754	/nfs/dbraw/zinc/03/87/54/523038754.db2.gz	VUVDYZBCUSAKEV-HUUCEWRRSA-N	0	2	372.387	2.905	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000286519325	257040821	/nfs/dbraw/zinc/04/08/21/257040821.db2.gz	XOSNITCGNIHGPF-OASPWFOLSA-N	0	2	360.237	2.701	10	0		FFAELN
COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Cl)c(Cl)c1O	ZINC000134395594	508527697	/nfs/dbraw/zinc/52/76/97/508527697.db2.gz	ZMGGFKVLYZKQDL-SNVBAGLBSA-N	0	2	371.224	2.702	10	0		FFAELN
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1	ZINC000248646036	509413223	/nfs/dbraw/zinc/41/32/23/509413223.db2.gz	GXWLHIFBWYTLSU-HZPDHXFCSA-N	0	2	364.559	2.653	10	0		FFAELN
CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H]3CCCn4ncnc43)=N2)c1	ZINC000176322658	509444494	/nfs/dbraw/zinc/44/44/94/509444494.db2.gz	AIYIVTPNLAQMEA-HNNXBMFYSA-N	0	2	366.425	2.558	10	0		FFAELN
Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1	ZINC000174873750	510358359	/nfs/dbraw/zinc/35/83/59/510358359.db2.gz	GDCNNJLNRDHDQJ-FQEVSTJZSA-N	0	2	372.557	2.652	10	0		FFAELN
CC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630644881	522984086	/nfs/dbraw/zinc/98/40/86/522984086.db2.gz	CYEDBMUJXYKDTC-HRCADAONSA-N	0	2	373.478	2.828	10	0		FFAELN
CC[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630644881	522984095	/nfs/dbraw/zinc/98/40/95/522984095.db2.gz	CYEDBMUJXYKDTC-HRCADAONSA-N	0	2	373.478	2.828	10	0		FFAELN
COc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646716	522987047	/nfs/dbraw/zinc/98/70/47/522987047.db2.gz	YTUVFHDPVJHHHJ-ROUUACIJSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646716	522987052	/nfs/dbraw/zinc/98/70/52/522987052.db2.gz	YTUVFHDPVJHHHJ-ROUUACIJSA-N	0	2	354.406	2.752	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660448	523010540	/nfs/dbraw/zinc/01/05/40/523010540.db2.gz	VLUKFSYVDBIREU-CVEARBPZSA-N	0	2	373.478	2.528	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660448	523010552	/nfs/dbraw/zinc/01/05/52/523010552.db2.gz	VLUKFSYVDBIREU-CVEARBPZSA-N	0	2	373.478	2.528	10	0		FFAELN
CN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659811	523012902	/nfs/dbraw/zinc/01/29/02/523012902.db2.gz	UNQKIGRPFPJBGJ-ROUUACIJSA-N	0	2	356.397	2.906	10	0		FFAELN
CN(C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659811	523012912	/nfs/dbraw/zinc/01/29/12/523012912.db2.gz	UNQKIGRPFPJBGJ-ROUUACIJSA-N	0	2	356.397	2.906	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660831	523016331	/nfs/dbraw/zinc/01/63/31/523016331.db2.gz	ZDSAFTNZXPBTPS-QZTJIDSGSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660831	523016339	/nfs/dbraw/zinc/01/63/39/523016339.db2.gz	ZDSAFTNZXPBTPS-QZTJIDSGSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c(OC)c(OC)c1OC	ZINC000002561260	560187920	/nfs/dbraw/zinc/18/79/20/560187920.db2.gz	ZYVBPTWKKGRSOZ-UHFFFAOYSA-N	0	2	374.345	2.906	10	0	biogenic,in-vitro	FFAELN
COc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)c(OC)c(OC)c1OC	ZINC000002561260	560187921	/nfs/dbraw/zinc/18/79/21/560187921.db2.gz	ZYVBPTWKKGRSOZ-UHFFFAOYSA-N	0	2	374.345	2.906	10	0	biogenic,in-vitro	FFAELN
COc1ccc(N2CC(=O)C(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)=N2)cc1	ZINC000181083170	251237574	/nfs/dbraw/zinc/23/75/74/251237574.db2.gz	LDGCPIGVANMLNI-MRXNPFEDSA-N	0	2	367.409	2.677	10	0		FFAELN
CCOC(=O)c1ccccc1Nc1nnc(Cc2ccc(C)cc2)c(=O)[nH]1	ZINC000005154444	506426268	/nfs/dbraw/zinc/42/62/68/506426268.db2.gz	NXRKMRFJMNBPJZ-UHFFFAOYSA-N	0	2	364.405	2.984	10	0		FFAELN
CCc1csc([C@@H]2CCCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)n1	ZINC000179497493	509478665	/nfs/dbraw/zinc/47/86/65/509478665.db2.gz	LNMFUFVPTFSYCU-LLVKDONJSA-N	0	2	371.466	2.713	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C)sc2C1	ZINC000171146869	509968457	/nfs/dbraw/zinc/96/84/57/509968457.db2.gz	LRNZANVBJLRKPF-UHFFFAOYSA-N	0	2	355.460	2.769	10	0		FFAELN
COc1ccc(N2CC(=O)C(C(=O)N[C@H]3CCOc4ccccc43)=N2)cc1	ZINC000180600881	510008050	/nfs/dbraw/zinc/00/80/50/510008050.db2.gz	SPVUERSIQRCWNG-INIZCTEOSA-N	0	2	365.389	2.840	10	0		FFAELN
CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1	ZINC000246574061	510563320	/nfs/dbraw/zinc/56/33/20/510563320.db2.gz	LNLZWSFDWCPNEB-QFBILLFUSA-N	0	2	357.498	2.973	10	0		FFAELN
O=C(N=c1nc2n([nH]1)CCCC2)N[C@@H]1CC2(CCCC2)Oc2ccccc21	ZINC000333620574	511303245	/nfs/dbraw/zinc/30/32/45/511303245.db2.gz	GGEGWLUDIQFECZ-OAHLLOKOSA-N	0	2	367.453	3.573	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630645145	522983723	/nfs/dbraw/zinc/98/37/23/522983723.db2.gz	NINQAHDZRFKPAN-ROUUACIJSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)[N@H+]1Cc1ccccc1	ZINC000630645145	522983729	/nfs/dbraw/zinc/98/37/29/522983729.db2.gz	NINQAHDZRFKPAN-ROUUACIJSA-N	0	2	356.397	2.560	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630646320	522987204	/nfs/dbraw/zinc/98/72/04/522987204.db2.gz	VFMYCONDTWHXIN-USXIJHARSA-N	0	2	356.422	2.883	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630646320	522987207	/nfs/dbraw/zinc/98/72/07/522987207.db2.gz	VFMYCONDTWHXIN-USXIJHARSA-N	0	2	356.422	2.883	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CC23CCCCC3)[N@@H+]1Cc1ccccc1	ZINC000630662560	523019228	/nfs/dbraw/zinc/01/92/28/523019228.db2.gz	FSBMBKMWNQKTKR-SQNIBIBYSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CC23CCCCC3)[N@H+]1Cc1ccccc1	ZINC000630662560	523019235	/nfs/dbraw/zinc/01/92/35/523019235.db2.gz	FSBMBKMWNQKTKR-SQNIBIBYSA-N	0	2	356.466	2.943	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630663632	523021511	/nfs/dbraw/zinc/02/15/11/523021511.db2.gz	BLVNLPLWSYLNAO-RBUKOAKNSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630663632	523021518	/nfs/dbraw/zinc/02/15/18/523021518.db2.gz	BLVNLPLWSYLNAO-RBUKOAKNSA-N	0	2	368.433	2.776	10	0		FFAELN
Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cn1)OCCN2C	ZINC000015677355	571346250	/nfs/dbraw/zinc/34/62/50/571346250.db2.gz	UUNIGEYCPAXIJV-UHFFFAOYSA-N	0	2	353.831	2.673	10	0		FFAELN
O=C(CC1CCCC1)NC1CCN(C(=O)c2c(O)cc(F)cc2F)CC1	ZINC000109020750	507932683	/nfs/dbraw/zinc/93/26/83/507932683.db2.gz	WNCUYTMODYQFRS-UHFFFAOYSA-N	0	2	366.408	2.972	10	0		FFAELN
O=C(Cn1ccc(=O)c2ccccc21)Nc1nc(-c2ccccc2F)n[nH]1	ZINC000109624469	507972679	/nfs/dbraw/zinc/97/26/79/507972679.db2.gz	MPKYLOKGMRDSAS-UHFFFAOYSA-N	0	2	363.352	2.564	10	0		FFAELN
CC(C)(C)OC(=O)N1CCC[C@H]1CS(=O)(=O)c1nc2ccccc2[nH]1	ZINC000095086000	508173042	/nfs/dbraw/zinc/17/30/42/508173042.db2.gz	LRQPTVJJADCIHQ-LBPRGKRZSA-N	0	2	365.455	2.736	10	0		FFAELN
COC(=O)[C@@H]1CCCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1	ZINC000084388458	508276692	/nfs/dbraw/zinc/27/66/92/508276692.db2.gz	PPPPZIRLCISFHM-OAHLLOKOSA-N	0	2	371.437	2.727	10	0		FFAELN
C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000119271565	508761748	/nfs/dbraw/zinc/76/17/48/508761748.db2.gz	FPIZQZZDKYXTCG-WCQYABFASA-N	0	2	354.385	2.831	10	0		FFAELN
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1	ZINC000248641072	509408473	/nfs/dbraw/zinc/40/84/73/509408473.db2.gz	CHSNNUUQDVQTKA-FPOVZHCZSA-N	0	2	364.493	2.641	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000186983780	509988477	/nfs/dbraw/zinc/98/84/77/509988477.db2.gz	KUWSZGQFCIUUEU-ZUZCIYMTSA-N	0	2	355.287	2.897	10	0		FFAELN
COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCOc4ccccc43)=N2)cc1	ZINC000180600862	510007495	/nfs/dbraw/zinc/00/74/95/510007495.db2.gz	SPVUERSIQRCWNG-MRXNPFEDSA-N	0	2	365.389	2.840	10	0		FFAELN
COC(=O)Cn1ncc(NC(=O)c2ccc(Cl)c(Cl)c2O)c1C	ZINC000193881136	510111631	/nfs/dbraw/zinc/11/16/31/510111631.db2.gz	PWTOQEYQVZRZLN-UHFFFAOYSA-N	0	2	358.181	2.629	10	0		FFAELN
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(N)=O)cs2)C1	ZINC000190462916	510146359	/nfs/dbraw/zinc/14/63/59/510146359.db2.gz	ULNCNUIDFRYQPB-ZDUSSCGKSA-N	0	2	364.540	2.566	10	0		FFAELN
O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1O	ZINC000184134945	510153783	/nfs/dbraw/zinc/15/37/83/510153783.db2.gz	UDXSRECYVCNQPI-UHFFFAOYSA-N	0	2	352.177	2.799	10	0		FFAELN
Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)C2)no1	ZINC000194588118	510434900	/nfs/dbraw/zinc/43/49/00/510434900.db2.gz	YONKRHURBVONFU-JTQLQIEISA-N	0	2	353.781	2.971	10	0		FFAELN
CCOC(=O)[C@H](NC(=O)c1cccc2[nH]nnc21)c1ccc(Cl)cc1	ZINC000194761645	510514644	/nfs/dbraw/zinc/51/46/44/510514644.db2.gz	HNQQSZFCYKWQHH-CQSZACIVSA-N	0	2	358.785	2.646	10	0		FFAELN
CCOCC[N@@H+]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1C	ZINC000175241345	510547852	/nfs/dbraw/zinc/54/78/52/510547852.db2.gz	DJHLDBGBXBYIME-NSHDSACASA-N	0	2	361.269	2.882	10	0		FFAELN
CCOCC[N@H+]1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1C	ZINC000175241345	510547855	/nfs/dbraw/zinc/54/78/55/510547855.db2.gz	DJHLDBGBXBYIME-NSHDSACASA-N	0	2	361.269	2.882	10	0		FFAELN
O=C(c1cc(Cl)cc(Br)c1O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000408410530	513061293	/nfs/dbraw/zinc/06/12/93/513061293.db2.gz	TVDSEHRAFVWHIC-HNBZJPLGSA-N	0	2	360.635	2.651	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630646318	522985732	/nfs/dbraw/zinc/98/57/32/522985732.db2.gz	VFMYCONDTWHXIN-UAGQMJEPSA-N	0	2	356.422	2.883	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630646318	522985734	/nfs/dbraw/zinc/98/57/34/522985734.db2.gz	VFMYCONDTWHXIN-UAGQMJEPSA-N	0	2	356.422	2.883	10	0		FFAELN
CCOC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCC1	ZINC000630647579	522988132	/nfs/dbraw/zinc/98/81/32/522988132.db2.gz	BMVHJANZYGTQTR-ROUUACIJSA-N	0	2	374.481	2.570	10	0		FFAELN
CCOC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCC1	ZINC000630647579	522988141	/nfs/dbraw/zinc/98/81/41/522988141.db2.gz	BMVHJANZYGTQTR-ROUUACIJSA-N	0	2	374.481	2.570	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@@H+]1Cc1ccccc1	ZINC000630673318	523036060	/nfs/dbraw/zinc/03/60/60/523036060.db2.gz	OGQJAXOFAIGVKP-VSZNYVQBSA-N	0	2	374.506	2.601	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@H+]1Cc1ccccc1	ZINC000630673318	523036066	/nfs/dbraw/zinc/03/60/66/523036066.db2.gz	OGQJAXOFAIGVKP-VSZNYVQBSA-N	0	2	374.506	2.601	10	0		FFAELN
COC(=O)c1ccccc1Nc1nnc(Cc2ccc(C)cc2)c(=O)[nH]1	ZINC000005154451	219656047	/nfs/dbraw/zinc/65/60/47/219656047.db2.gz	AWDMTNKHHIFHPN-UHFFFAOYSA-N	0	2	350.378	2.594	10	0		FFAELN
CCn1cnnc1C1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1	ZINC000131282719	508909954	/nfs/dbraw/zinc/90/99/54/508909954.db2.gz	YBKKUGASUCOVJL-UHFFFAOYSA-N	0	2	352.797	2.816	10	0		FFAELN
CCn1cc(C2CCN(C(=O)c3c[nH]c4nc(C)ccc4c3=O)CC2)cn1	ZINC000131885273	508979110	/nfs/dbraw/zinc/97/91/10/508979110.db2.gz	XLBFRLLSGOVBQW-UHFFFAOYSA-N	0	2	365.437	2.880	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000162664623	509276142	/nfs/dbraw/zinc/27/61/42/509276142.db2.gz	OASJAJPOIGRZTI-SNVBAGLBSA-N	0	2	355.225	2.843	10	0		FFAELN
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000248606094	509388558	/nfs/dbraw/zinc/38/85/58/509388558.db2.gz	PCIIVYHAHXHNMS-FXAINCCUSA-N	0	2	357.328	2.756	10	0		FFAELN
C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000179491713	509476238	/nfs/dbraw/zinc/47/62/38/509476238.db2.gz	HRHNBBBRVDBHSX-FHSNZYRGSA-N	0	2	366.421	2.665	10	0		FFAELN
C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccc(S(C)(=O)=O)cc1	ZINC000183333085	509723218	/nfs/dbraw/zinc/72/32/18/509723218.db2.gz	PPFQDUGFEFXJGO-MRVPVSSYSA-N	0	2	373.352	2.704	10	0		FFAELN
CN(c1cccnn1)C1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1	ZINC000184413647	510311580	/nfs/dbraw/zinc/31/15/80/510311580.db2.gz	NKLKVXXLVMCZKH-UHFFFAOYSA-N	0	2	364.808	2.716	10	0		FFAELN
CC(C)n1ccnc1CS(=O)(=O)c1n[nH]c(-c2ccc3c(c2)CCC3)n1	ZINC000195211138	510718397	/nfs/dbraw/zinc/71/83/97/510718397.db2.gz	HNQDPXKHGRBKJF-UHFFFAOYSA-N	0	2	371.466	2.712	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)[N@@H+]1Cc1ccccc1	ZINC000630644927	522982970	/nfs/dbraw/zinc/98/29/70/522982970.db2.gz	MWLKJWDZFBFOTM-MSOLQXFVSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)[N@H+]1Cc1ccccc1	ZINC000630644927	522982979	/nfs/dbraw/zinc/98/29/79/522982979.db2.gz	MWLKJWDZFBFOTM-MSOLQXFVSA-N	0	2	356.397	2.560	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630645156	522984300	/nfs/dbraw/zinc/98/43/00/522984300.db2.gz	NQFAKSUMYCDPNH-OALUTQOASA-N	0	2	366.417	2.946	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630645156	522984311	/nfs/dbraw/zinc/98/43/11/522984311.db2.gz	NQFAKSUMYCDPNH-OALUTQOASA-N	0	2	366.417	2.946	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2F)[N@@H+]1Cc1ccccc1	ZINC000630646832	522986961	/nfs/dbraw/zinc/98/69/61/522986961.db2.gz	FPTGYKLVUOVLBI-ZWKOTPCHSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2F)[N@H+]1Cc1ccccc1	ZINC000630646832	522986968	/nfs/dbraw/zinc/98/69/68/522986968.db2.gz	FPTGYKLVUOVLBI-ZWKOTPCHSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCc3ccc(F)cc32)[N@@H+]1Cc1ccccc1	ZINC000630665622	523020887	/nfs/dbraw/zinc/02/08/87/523020887.db2.gz	APJUGIDQOKFAQI-ZWKOTPCHSA-N	0	2	368.408	2.833	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)N2CCc3ccc(F)cc32)[N@H+]1Cc1ccccc1	ZINC000630665622	523020893	/nfs/dbraw/zinc/02/08/93/523020893.db2.gz	APJUGIDQOKFAQI-ZWKOTPCHSA-N	0	2	368.408	2.833	10	0		FFAELN
CC(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668643	523028303	/nfs/dbraw/zinc/02/83/03/523028303.db2.gz	XPWQTZCUIIYYJW-ZWKOTPCHSA-N	0	2	356.466	2.799	10	0		FFAELN
CC(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668643	523028295	/nfs/dbraw/zinc/02/82/95/523028295.db2.gz	XPWQTZCUIIYYJW-ZWKOTPCHSA-N	0	2	356.466	2.799	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@@H+]1Cc1ccccc1	ZINC000630673317	523037316	/nfs/dbraw/zinc/03/73/16/523037316.db2.gz	OGQJAXOFAIGVKP-OWSLCNJRSA-N	0	2	374.506	2.601	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@H+]1Cc1ccccc1	ZINC000630673317	523037327	/nfs/dbraw/zinc/03/73/27/523037327.db2.gz	OGQJAXOFAIGVKP-OWSLCNJRSA-N	0	2	374.506	2.601	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000008698767	219866333	/nfs/dbraw/zinc/86/63/33/219866333.db2.gz	NBOLQSLZPGQQMA-AWEZNQCLSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(Cl)c2)C[C@H]1C(=O)[O-]	ZINC000008698767	219866334	/nfs/dbraw/zinc/86/63/34/219866334.db2.gz	NBOLQSLZPGQQMA-AWEZNQCLSA-N	0	2	354.834	2.846	10	0		FFAELN
Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)c1	ZINC000102841778	250124431	/nfs/dbraw/zinc/12/44/31/250124431.db2.gz	QFAUOWFIMYAIDI-UHFFFAOYSA-N	0	2	373.409	2.994	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCCN(c2cccnn2)CC1	ZINC000106918297	250300140	/nfs/dbraw/zinc/30/01/40/250300140.db2.gz	GRXBVEJKUWVALR-UHFFFAOYSA-N	0	2	367.236	2.842	10	0		FFAELN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[nH]c2nc(C)ccc2c1=O	ZINC000107353249	507846004	/nfs/dbraw/zinc/84/60/04/507846004.db2.gz	YZTHGTCZCUWTHE-MRXNPFEDSA-N	0	2	365.437	2.971	10	0		FFAELN
O=C(CC1CCCCC1)N1CCN(C(=O)c2c(O)cc(F)cc2F)CC1	ZINC000101672643	508253997	/nfs/dbraw/zinc/25/39/97/508253997.db2.gz	BAFXAKQEMBHOPN-UHFFFAOYSA-N	0	2	366.408	2.925	10	0		FFAELN
COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1	ZINC000154540163	508805885	/nfs/dbraw/zinc/80/58/85/508805885.db2.gz	QMIUHNUHFOJRKE-HOCLYGCPSA-N	0	2	372.469	2.700	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)=N1	ZINC000119605616	508827777	/nfs/dbraw/zinc/82/77/77/508827777.db2.gz	FGTWJWIHXMEKJH-VLIAUNLRSA-N	0	2	373.428	2.793	10	0		FFAELN
CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000248655533	509421275	/nfs/dbraw/zinc/42/12/75/509421275.db2.gz	QKHIAJLJAPJNRT-PZJWPPBQSA-N	0	2	366.509	2.665	10	0		FFAELN
COc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1	ZINC000179398693	509421391	/nfs/dbraw/zinc/42/13/91/509421391.db2.gz	GTPJYBRACHKJBM-INIZCTEOSA-N	0	2	352.394	2.660	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1Cc1cccc(F)c1)c2=O	ZINC000179457286	509454263	/nfs/dbraw/zinc/45/42/63/509454263.db2.gz	YKNJHJKJRYLVJW-AWEZNQCLSA-N	0	2	354.385	2.660	10	0		FFAELN
C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1nnc(COc2ccccc2)[nH]1	ZINC000186629388	509811771	/nfs/dbraw/zinc/81/17/71/509811771.db2.gz	MZWWZNVWCNHFSU-BFUOFWGJSA-N	0	2	364.405	2.565	10	0		FFAELN
Cc1cc(N2CCC[C@H](Nc3nc(-c4ccc(C)cc4)no3)C2=O)n(C)n1	ZINC000180267131	509840748	/nfs/dbraw/zinc/84/07/48/509840748.db2.gz	IRQIQPMASWKSKH-HNNXBMFYSA-N	0	2	366.425	2.694	10	0		FFAELN
CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[N@H+](CC)C1	ZINC000174236984	510017766	/nfs/dbraw/zinc/01/77/66/510017766.db2.gz	XYSXIKICSDFGTC-IBGZPJMESA-N	0	2	373.545	2.814	10	0		FFAELN
CCOC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1	ZINC000190475407	510152518	/nfs/dbraw/zinc/15/25/18/510152518.db2.gz	SQOGQTCHYFYIQV-KRWDZBQOSA-N	0	2	357.454	2.805	10	0		FFAELN
Cc1cc(C)c(NC(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1	ZINC000174873766	510358096	/nfs/dbraw/zinc/35/80/96/510358096.db2.gz	GDCNNJLNRDHDQJ-HXUWFJFHSA-N	0	2	372.557	2.652	10	0		FFAELN
C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1nc(-c2ccccc2)no1	ZINC000184765089	510506639	/nfs/dbraw/zinc/50/66/39/510506639.db2.gz	CTKSYLCSLLCXFD-UWVGGRQHSA-N	0	2	363.361	2.710	10	0		FFAELN
C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H](C)O1	ZINC000194768312	510519874	/nfs/dbraw/zinc/51/98/74/510519874.db2.gz	UGKWMPMKAQQITJ-PHIMTYICSA-N	0	2	361.269	2.880	10	0		FFAELN
C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(Cl)c(Cl)c2[O-])C[C@H](C)O1	ZINC000194768312	510519881	/nfs/dbraw/zinc/51/98/81/510519881.db2.gz	UGKWMPMKAQQITJ-PHIMTYICSA-N	0	2	361.269	2.880	10	0		FFAELN
O=c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccc(Cl)cn12	ZINC000246576568	510565044	/nfs/dbraw/zinc/56/50/44/510565044.db2.gz	LQLGCTMKIWJHBS-KSSFIOAISA-N	0	2	372.900	2.797	10	0		FFAELN
COCc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630646545	522986157	/nfs/dbraw/zinc/98/61/57/522986157.db2.gz	XBPSAILIAHMVNJ-RTBURBONSA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630646545	522986163	/nfs/dbraw/zinc/98/61/63/522986163.db2.gz	XBPSAILIAHMVNJ-RTBURBONSA-N	0	2	368.433	2.889	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC23CC3)[N@@H+]1Cc1ccccc1	ZINC000630650729	522993569	/nfs/dbraw/zinc/99/35/69/522993569.db2.gz	PSECWTYGRMDBNT-BZSNNMDCSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCCC23CC3)[N@H+]1Cc1ccccc1	ZINC000630650729	522993579	/nfs/dbraw/zinc/99/35/79/522993579.db2.gz	PSECWTYGRMDBNT-BZSNNMDCSA-N	0	2	356.466	2.801	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649331	522993715	/nfs/dbraw/zinc/99/37/15/522993715.db2.gz	IRVKTRIZZWUPEX-ROUUACIJSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649331	522993721	/nfs/dbraw/zinc/99/37/21/522993721.db2.gz	IRVKTRIZZWUPEX-ROUUACIJSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cscc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654495	523002648	/nfs/dbraw/zinc/00/26/48/523002648.db2.gz	WDAPVQMNCFUWFY-SJORKVTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1cscc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654495	523002658	/nfs/dbraw/zinc/00/26/58/523002658.db2.gz	WDAPVQMNCFUWFY-SJORKVTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630655175	523003410	/nfs/dbraw/zinc/00/34/10/523003410.db2.gz	NPFFJNSACBITDJ-QZTJIDSGSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630655175	523003418	/nfs/dbraw/zinc/00/34/18/523003418.db2.gz	NPFFJNSACBITDJ-QZTJIDSGSA-N	0	2	356.422	2.664	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccsc3C2)[N@@H+]1Cc1ccccc1	ZINC000630662727	523019145	/nfs/dbraw/zinc/01/91/45/523019145.db2.gz	FVECRPBYHHWKPT-SJORKVTESA-N	0	2	370.474	2.751	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccsc3C2)[N@H+]1Cc1ccccc1	ZINC000630662727	523019153	/nfs/dbraw/zinc/01/91/53/523019153.db2.gz	FVECRPBYHHWKPT-SJORKVTESA-N	0	2	370.474	2.751	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC(F)(F)C2)[N@@H+]1Cc1ccccc1	ZINC000630671494	523032596	/nfs/dbraw/zinc/03/25/96/523032596.db2.gz	LMPDCZCHFJTMOJ-OAGGEKHMSA-N	0	2	366.408	2.798	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC(F)(F)C2)[N@H+]1Cc1ccccc1	ZINC000630671494	523032604	/nfs/dbraw/zinc/03/26/04/523032604.db2.gz	LMPDCZCHFJTMOJ-OAGGEKHMSA-N	0	2	366.408	2.798	10	0		FFAELN
CC(C)Cc1ccc([C@H](C)NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1	ZINC000048182024	507472569	/nfs/dbraw/zinc/47/25/69/507472569.db2.gz	LNTHOPPZZNCHBX-LBPRGKRZSA-N	0	2	366.421	2.713	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)=N1	ZINC000119605470	508827258	/nfs/dbraw/zinc/82/72/58/508827258.db2.gz	FGTWJWIHXMEKJH-JLTOFOAXSA-N	0	2	373.428	2.793	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2c2cnn(C)c2)=N1	ZINC000175990115	509259570	/nfs/dbraw/zinc/25/95/70/509259570.db2.gz	OMGQDVYLQCDRIV-INIZCTEOSA-N	0	2	369.400	2.736	10	0		FFAELN
Cc1nnc([C@H](NC(=O)c2cc(F)c(F)c(O)c2F)c2ccccc2)[nH]1	ZINC000185791380	509358082	/nfs/dbraw/zinc/35/80/82/509358082.db2.gz	VYNOHDHIWLEOCY-CQSZACIVSA-N	0	2	362.311	2.755	10	0		FFAELN
CCCC[C@H](C(=O)OC)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000248658512	509424724	/nfs/dbraw/zinc/42/47/24/509424724.db2.gz	UBTALRBPACKGGI-JKSUJKDBSA-N	0	2	353.532	2.937	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1CCc1ccccc1)c2=O	ZINC000179442471	509445038	/nfs/dbraw/zinc/44/50/38/509445038.db2.gz	JCDYWWXHCKMKQP-HNNXBMFYSA-N	0	2	350.422	2.911	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)c2=O	ZINC000185960832	509450583	/nfs/dbraw/zinc/45/05/83/509450583.db2.gz	AEXUWTZVLWLMRV-OAHLLOKOSA-N	0	2	372.812	2.541	10	0		FFAELN
O=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)c(Cl)c1O	ZINC000166289783	509600856	/nfs/dbraw/zinc/60/08/56/509600856.db2.gz	TZDTZWMSJKQOGO-UHFFFAOYSA-N	0	2	355.225	2.599	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@H]1c1nnc2n1CCCC2	ZINC000186854411	509913857	/nfs/dbraw/zinc/91/38/57/509913857.db2.gz	KWAAKCDTIWXZKJ-AWEZNQCLSA-N	0	2	362.380	2.966	10	0		FFAELN
COc1cc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F	ZINC000190661785	510269982	/nfs/dbraw/zinc/26/99/82/510269982.db2.gz	FVZLFYKYXRPSCU-LLVKDONJSA-N	0	2	356.444	2.859	10	0		FFAELN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)C2)n1	ZINC000194720541	510494262	/nfs/dbraw/zinc/49/42/62/510494262.db2.gz	SCYAVRJMPHELDR-GFCCVEGCSA-N	0	2	366.824	2.945	10	0		FFAELN
CC1(C)CCC[C@H](C(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)C1	ZINC000408194710	513018781	/nfs/dbraw/zinc/01/87/81/513018781.db2.gz	IOXZEZGPCVYUPV-NSHDSACASA-N	0	2	371.528	2.616	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630647393	522989073	/nfs/dbraw/zinc/98/90/73/522989073.db2.gz	KKHZGWQCOTXDBC-CWRNSKLLSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630647393	522989083	/nfs/dbraw/zinc/98/90/83/522989083.db2.gz	KKHZGWQCOTXDBC-CWRNSKLLSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630649954	522992709	/nfs/dbraw/zinc/99/27/09/522992709.db2.gz	MQJHDAAQGFSVSD-ZWKOTPCHSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630649954	522992717	/nfs/dbraw/zinc/99/27/17/522992717.db2.gz	MQJHDAAQGFSVSD-ZWKOTPCHSA-N	0	2	354.406	2.757	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630657478	523006891	/nfs/dbraw/zinc/00/68/91/523006891.db2.gz	MNLZUPPTEXFBQF-HYVNUMGLSA-N	0	2	356.422	2.917	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630657478	523006898	/nfs/dbraw/zinc/00/68/98/523006898.db2.gz	MNLZUPPTEXFBQF-HYVNUMGLSA-N	0	2	356.422	2.917	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2Cc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630657658	523007310	/nfs/dbraw/zinc/00/73/10/523007310.db2.gz	PQYMMGILWBNIIZ-RLLQIKCJSA-N	0	2	364.445	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2Cc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630657658	523007318	/nfs/dbraw/zinc/00/73/18/523007318.db2.gz	PQYMMGILWBNIIZ-RLLQIKCJSA-N	0	2	364.445	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCc3ccsc3C2)[N@@H+]1Cc1ccccc1	ZINC000630662725	523019324	/nfs/dbraw/zinc/01/93/24/523019324.db2.gz	FVECRPBYHHWKPT-IAGOWNOFSA-N	0	2	370.474	2.751	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCc3ccsc3C2)[N@H+]1Cc1ccccc1	ZINC000630662725	523019332	/nfs/dbraw/zinc/01/93/32/523019332.db2.gz	FVECRPBYHHWKPT-IAGOWNOFSA-N	0	2	370.474	2.751	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630663430	523021254	/nfs/dbraw/zinc/02/12/54/523021254.db2.gz	AVFLAZWWYBPCKQ-KZNAEPCWSA-N	0	2	374.481	2.520	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630663430	523021257	/nfs/dbraw/zinc/02/12/57/523021257.db2.gz	AVFLAZWWYBPCKQ-KZNAEPCWSA-N	0	2	374.481	2.520	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630663433	523023429	/nfs/dbraw/zinc/02/34/29/523023429.db2.gz	AVFLAZWWYBPCKQ-SQNIBIBYSA-N	0	2	374.481	2.520	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630663433	523023438	/nfs/dbraw/zinc/02/34/38/523023438.db2.gz	AVFLAZWWYBPCKQ-SQNIBIBYSA-N	0	2	374.481	2.520	10	0		FFAELN
CC(=O)c1cccc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1	ZINC000692407923	976448795	/nfs/dbraw/zinc/44/87/95/976448795.db2.gz	HJZWGDHSNQPUBA-UHFFFAOYSA-N	0	2	354.406	2.805	10	0		FFAELN
CC(=O)c1cccc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1	ZINC000692407923	976448800	/nfs/dbraw/zinc/44/88/00/976448800.db2.gz	HJZWGDHSNQPUBA-UHFFFAOYSA-N	0	2	354.406	2.805	10	0		FFAELN
CC(C)Cn1nccc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2	ZINC000328832181	258121924	/nfs/dbraw/zinc/12/19/24/258121924.db2.gz	VGPYGFXFSHICHI-UHFFFAOYSA-N	0	2	362.455	2.615	10	0		FFAELN
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1O)NCCc1ccccc1	ZINC000106912518	507828496	/nfs/dbraw/zinc/82/84/96/507828496.db2.gz	WRRUUIRETURUJA-UHFFFAOYSA-N	0	2	367.232	2.788	10	0		FFAELN
COC(=O)C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1	ZINC000073068943	507890994	/nfs/dbraw/zinc/89/09/94/507890994.db2.gz	OYSAHOHHKAIAHO-INIZCTEOSA-N	0	2	365.389	2.612	10	0		FFAELN
Cc1ccccc1[C@@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@@H](C)CO1	ZINC000132771502	509072942	/nfs/dbraw/zinc/07/29/42/509072942.db2.gz	QIKXLGANFFWPQB-GUYCJALGSA-N	0	2	366.421	2.585	10	0		FFAELN
Cc1cnn([C@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)c1	ZINC000176290887	509425492	/nfs/dbraw/zinc/42/54/92/509425492.db2.gz	SKQNFYDUYAVIFL-INIZCTEOSA-N	0	2	369.400	2.699	10	0		FFAELN
C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000176318393	509441620	/nfs/dbraw/zinc/44/16/20/509441620.db2.gz	CZPTYIKDFAMWMV-LLVKDONJSA-N	0	2	363.389	2.519	10	0		FFAELN
Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)o1	ZINC000173190059	509445477	/nfs/dbraw/zinc/44/54/77/509445477.db2.gz	IRXSIFQQHGBYTF-CYBMUJFWSA-N	0	2	368.393	2.601	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC(Nc3ccccc3F)CC1)c2=O	ZINC000179518393	509491799	/nfs/dbraw/zinc/49/17/99/509491799.db2.gz	PVKBXBXJDDUFFR-UHFFFAOYSA-N	0	2	369.400	2.530	10	0		FFAELN
CCO[C@@H]1C[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C12CCOCC2	ZINC000186467845	509723351	/nfs/dbraw/zinc/72/33/51/509723351.db2.gz	JNDHIMHFIANMNF-NWDGAFQWSA-N	0	2	359.344	2.514	10	0		FFAELN
CCO[C@H]1C[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C12CCOCC2	ZINC000186467860	509723707	/nfs/dbraw/zinc/72/37/07/509723707.db2.gz	JNDHIMHFIANMNF-RYUDHWBXSA-N	0	2	359.344	2.514	10	0		FFAELN
C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000245417322	509917407	/nfs/dbraw/zinc/91/74/07/509917407.db2.gz	JRVNRDPEZZZPFL-ZQIUZPCESA-N	0	2	353.894	2.804	10	0		FFAELN
CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1	ZINC000246325686	510427675	/nfs/dbraw/zinc/42/76/75/510427675.db2.gz	FVIAEGKVZFGBOV-SJLPKXTDSA-N	0	2	371.485	2.812	10	0		FFAELN
CC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630644877	522983248	/nfs/dbraw/zinc/98/32/48/522983248.db2.gz	CYEDBMUJXYKDTC-ARFHVFGLSA-N	0	2	373.478	2.828	10	0		FFAELN
CC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630644877	522983258	/nfs/dbraw/zinc/98/32/58/522983258.db2.gz	CYEDBMUJXYKDTC-ARFHVFGLSA-N	0	2	373.478	2.828	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630646321	522986460	/nfs/dbraw/zinc/98/64/60/522986460.db2.gz	VFMYCONDTWHXIN-XIRDDKMYSA-N	0	2	356.422	2.883	10	0		FFAELN
Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630646321	522986465	/nfs/dbraw/zinc/98/64/65/522986465.db2.gz	VFMYCONDTWHXIN-XIRDDKMYSA-N	0	2	356.422	2.883	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630657477	523006710	/nfs/dbraw/zinc/00/67/10/523006710.db2.gz	MNLZUPPTEXFBQF-DJIMGWMZSA-N	0	2	356.422	2.917	10	0		FFAELN
C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630657477	523006721	/nfs/dbraw/zinc/00/67/21/523006721.db2.gz	MNLZUPPTEXFBQF-DJIMGWMZSA-N	0	2	356.422	2.917	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630668200	523027611	/nfs/dbraw/zinc/02/76/11/523027611.db2.gz	GOZLAWHNABUTGE-ROUUACIJSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630668200	523027622	/nfs/dbraw/zinc/02/76/22/523027622.db2.gz	GOZLAWHNABUTGE-ROUUACIJSA-N	0	2	356.422	2.664	10	0		FFAELN
CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1c(O)cc(F)cc1F	ZINC000075225391	728245188	/nfs/dbraw/zinc/24/51/88/728245188.db2.gz	GHSGWBRPJLWNFA-NSHDSACASA-N	0	2	356.369	2.800	10	0		FFAELN
CCc1nc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)cs1	ZINC000107616995	728516865	/nfs/dbraw/zinc/51/68/65/728516865.db2.gz	MKKIZNVZNIOMNZ-UHFFFAOYSA-N	0	2	374.491	2.654	10	0		FFAELN
O=C(C=Cc1ccnc(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1	ZINC000588493568	966061000	/nfs/dbraw/zinc/06/10/00/966061000.db2.gz	YELHLRGMWNRPBA-SREVYHEPSA-N	0	2	369.812	2.762	10	0		FFAELN
Cc1cc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)no1	ZINC000106901771	250298240	/nfs/dbraw/zinc/29/82/40/250298240.db2.gz	LBFIQAXFUANBNT-UHFFFAOYSA-N	0	2	370.236	2.953	10	0		FFAELN
Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2nc3cccnc3s2)CCC[NH+]1C	ZINC000329148930	258130721	/nfs/dbraw/zinc/13/07/21/258130721.db2.gz	YNTPLYLQQUDLRF-KBXCAEBGSA-N	0	2	370.526	2.940	10	0		FFAELN
Cc1ccc(S(=O)(=O)n2cc(O)c3cc(Br)cnc32)cc1	ZINC000095080341	508173013	/nfs/dbraw/zinc/17/30/13/508173013.db2.gz	ZWDQWFVZZXYDCI-UHFFFAOYSA-N	0	2	367.224	2.544	10	0		FFAELN
C[N@H+](Cc1cc(C2CC2)n[nH]1)[C@H](C(=O)[O-])c1ccc(-c2cc[nH]n2)cc1	ZINC000095502423	508191383	/nfs/dbraw/zinc/19/13/83/508191383.db2.gz	UGRVIBCRRPSYAS-SFHVURJKSA-N	0	2	351.410	2.935	10	0		FFAELN
C[N@@H+](Cc1cc(C2CC2)n[nH]1)[C@H](C(=O)[O-])c1ccc(-c2cc[nH]n2)cc1	ZINC000095502423	508191385	/nfs/dbraw/zinc/19/13/85/508191385.db2.gz	UGRVIBCRRPSYAS-SFHVURJKSA-N	0	2	351.410	2.935	10	0		FFAELN
CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2c(O)cc(F)cc2F)CC1	ZINC000101669229	508253392	/nfs/dbraw/zinc/25/33/92/508253392.db2.gz	MZKCUIOKNIZEEF-LLVKDONJSA-N	0	2	354.397	2.683	10	0		FFAELN
C[C@H](C1CC1)N(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1	ZINC000248649043	509416049	/nfs/dbraw/zinc/41/60/49/509416049.db2.gz	KJDCFQAPUHPERF-MJGOQNOKSA-N	0	2	370.541	2.625	10	0		FFAELN
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2nn[nH]c2c1	ZINC000176719933	509657749	/nfs/dbraw/zinc/65/77/49/509657749.db2.gz	CGUZCWQOQORWKD-MRXNPFEDSA-N	0	2	373.363	2.629	10	0		FFAELN
O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cc(F)c(O)c(Cl)c1	ZINC000194385495	510338908	/nfs/dbraw/zinc/33/89/08/510338908.db2.gz	CKVFLKCHIMZKEI-ZDUSSCGKSA-N	0	2	369.801	2.833	10	0		FFAELN
CN(C(=O)c1cc(F)c(O)c(Cl)c1)[C@@H]1CCCN(c2cccnn2)C1	ZINC000194732053	510499525	/nfs/dbraw/zinc/49/95/25/510499525.db2.gz	TURJDKSHHQPNKL-GFCCVEGCSA-N	0	2	364.808	2.716	10	0		FFAELN
CCc1nc2ccc(Cl)cn2c1C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000584103424	519593472	/nfs/dbraw/zinc/59/34/72/519593472.db2.gz	CFKYHEBZUSDFRL-GFCCVEGCSA-N	0	2	374.832	2.741	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCO3)[N@@H+]1Cc1ccccc1	ZINC000630643943	522984554	/nfs/dbraw/zinc/98/45/54/522984554.db2.gz	IJMRDRQPUUPXFV-MSOLQXFVSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCO3)[N@H+]1Cc1ccccc1	ZINC000630643943	522984566	/nfs/dbraw/zinc/98/45/66/522984566.db2.gz	IJMRDRQPUUPXFV-MSOLQXFVSA-N	0	2	366.417	2.678	10	0		FFAELN
CCOC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCC1	ZINC000630647578	522990256	/nfs/dbraw/zinc/99/02/56/522990256.db2.gz	BMVHJANZYGTQTR-QZTJIDSGSA-N	0	2	374.481	2.570	10	0		FFAELN
CCOC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCC1	ZINC000630647578	522990265	/nfs/dbraw/zinc/99/02/65/522990265.db2.gz	BMVHJANZYGTQTR-QZTJIDSGSA-N	0	2	374.481	2.570	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654364	523001170	/nfs/dbraw/zinc/00/11/70/523001170.db2.gz	BEWGBXRPWPAMQT-MSOLQXFVSA-N	0	2	356.422	2.746	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654364	523001173	/nfs/dbraw/zinc/00/11/73/523001173.db2.gz	BEWGBXRPWPAMQT-MSOLQXFVSA-N	0	2	356.422	2.746	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCc3ccsc3C2)[N@@H+]1Cc1ccccc1	ZINC000630662726	523019200	/nfs/dbraw/zinc/01/92/00/523019200.db2.gz	FVECRPBYHHWKPT-IRXDYDNUSA-N	0	2	370.474	2.751	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCc3ccsc3C2)[N@H+]1Cc1ccccc1	ZINC000630662726	523019207	/nfs/dbraw/zinc/01/92/07/523019207.db2.gz	FVECRPBYHHWKPT-IRXDYDNUSA-N	0	2	370.474	2.751	10	0		FFAELN
CC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668641	523027704	/nfs/dbraw/zinc/02/77/04/523027704.db2.gz	XPWQTZCUIIYYJW-QZTJIDSGSA-N	0	2	356.466	2.799	10	0		FFAELN
CC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668641	523027711	/nfs/dbraw/zinc/02/77/11/523027711.db2.gz	XPWQTZCUIIYYJW-QZTJIDSGSA-N	0	2	356.466	2.799	10	0		FFAELN
O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000329162096	258131354	/nfs/dbraw/zinc/13/13/54/258131354.db2.gz	FWZMVEIAGSEGIX-YPMHNXCESA-N	0	2	373.438	2.717	10	0		FFAELN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1	ZINC000329258972	258134021	/nfs/dbraw/zinc/13/40/21/258134021.db2.gz	AIVJJWGTJPVFSH-LBPRGKRZSA-N	0	2	362.503	2.977	10	0		FFAELN
Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1	ZINC000329258970	258134154	/nfs/dbraw/zinc/13/41/54/258134154.db2.gz	AIVJJWGTJPVFSH-GFCCVEGCSA-N	0	2	362.503	2.977	10	0		FFAELN
CCn1c(CCNC(=O)c2ccc(Cl)c(Cl)c2O)n[nH]c1=S	ZINC000067119198	506762167	/nfs/dbraw/zinc/76/21/67/506762167.db2.gz	YVEWJWGKQHRWEO-UHFFFAOYSA-N	0	2	361.254	2.945	10	0		FFAELN
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1	ZINC000155224959	508952392	/nfs/dbraw/zinc/95/23/92/508952392.db2.gz	GYSLZWPPSVIQKE-RDJZCZTQSA-N	0	2	369.469	2.819	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@H](Cn2ccnn2)C1	ZINC000162664501	509275737	/nfs/dbraw/zinc/27/57/37/509275737.db2.gz	OASJAJPOIGRZTI-JTQLQIEISA-N	0	2	355.225	2.843	10	0		FFAELN
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(O)c1F	ZINC000248606091	509387525	/nfs/dbraw/zinc/38/75/25/509387525.db2.gz	PCIIVYHAHXHNMS-AXTRIDKLSA-N	0	2	357.328	2.756	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1C[C@@H](c3ccccc3)OCC1(C)C)c2=O	ZINC000179475803	509466573	/nfs/dbraw/zinc/46/65/73/509466573.db2.gz	PMTSLUFEKNILQM-INIZCTEOSA-N	0	2	366.421	2.666	10	0		FFAELN
O=C(NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1)C1CC1	ZINC000171609322	510249826	/nfs/dbraw/zinc/24/98/26/510249826.db2.gz	KYWCIGMVEMJBNR-UHFFFAOYSA-N	0	2	357.237	2.830	10	0		FFAELN
CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccnc(N(C)C)c2)[C@@H]1c1cnn(C)c1	ZINC000328651008	511907177	/nfs/dbraw/zinc/90/71/77/511907177.db2.gz	VSWMRBSIGLEWSP-GHTZIAJQSA-N	0	2	370.545	2.786	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630643291	522981043	/nfs/dbraw/zinc/98/10/43/522981043.db2.gz	FUVWXMGARAFZPS-IRXDYDNUSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630643291	522981050	/nfs/dbraw/zinc/98/10/50/522981050.db2.gz	FUVWXMGARAFZPS-IRXDYDNUSA-N	0	2	372.396	2.891	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654366	523002825	/nfs/dbraw/zinc/00/28/25/523002825.db2.gz	BEWGBXRPWPAMQT-ROUUACIJSA-N	0	2	356.422	2.746	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654366	523002835	/nfs/dbraw/zinc/00/28/35/523002835.db2.gz	BEWGBXRPWPAMQT-ROUUACIJSA-N	0	2	356.422	2.746	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630674479	523039032	/nfs/dbraw/zinc/03/90/32/523039032.db2.gz	SZFODXKNIDHHHH-CABCVRRESA-N	0	2	354.397	2.606	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630674479	523039043	/nfs/dbraw/zinc/03/90/43/523039043.db2.gz	SZFODXKNIDHHHH-CABCVRRESA-N	0	2	354.397	2.606	10	0		FFAELN
Nc1ccc(S(=O)(=O)N=c2[nH]ccn2Cc2ccccc2Cl)cc1	ZINC000033866254	539976086	/nfs/dbraw/zinc/97/60/86/539976086.db2.gz	DKAMSYJCGJDVNK-UHFFFAOYSA-N	0	2	362.842	2.968	10	0		FFAELN
Nc1ccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)cc1	ZINC000033866254	539976088	/nfs/dbraw/zinc/97/60/88/539976088.db2.gz	DKAMSYJCGJDVNK-UHFFFAOYSA-N	0	2	362.842	2.968	10	0		FFAELN
CCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H](C)CS(=O)(=O)CC	ZINC000113437310	508267938	/nfs/dbraw/zinc/26/79/38/508267938.db2.gz	PHIQFCARGBDLJS-SECBINFHSA-N	0	2	368.282	2.984	10	0		FFAELN
CN(C(=O)c1cc(F)cc(Cl)c1O)[C@@H]1CCCN(c2cccnn2)C1	ZINC000152485702	508455835	/nfs/dbraw/zinc/45/58/35/508455835.db2.gz	CCLIUDLYLCXBLA-GFCCVEGCSA-N	0	2	364.808	2.716	10	0		FFAELN
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2)c(O)c1	ZINC000207058601	509238414	/nfs/dbraw/zinc/23/84/14/509238414.db2.gz	HJUHCDDFCROXKS-UHFFFAOYSA-N	0	2	373.184	2.864	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCn3cccc3[C@@H]1c1ccccc1)c2=O	ZINC000179447275	509448310	/nfs/dbraw/zinc/44/83/10/509448310.db2.gz	KEFWMQDGDWKBPA-SFHVURJKSA-N	0	2	373.416	2.721	10	0		FFAELN
CCO[C@H]1C[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C12CCOCC2	ZINC000186467893	509723409	/nfs/dbraw/zinc/72/34/09/509723409.db2.gz	JNDHIMHFIANMNF-NEPJUHHUSA-N	0	2	359.344	2.514	10	0		FFAELN
C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1nnc(COc2ccccc2)[nH]1	ZINC000186629369	509812158	/nfs/dbraw/zinc/81/21/58/509812158.db2.gz	MZWWZNVWCNHFSU-DJJJIMSYSA-N	0	2	364.405	2.565	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@H](c3c(F)cccc3F)C1)c2=O	ZINC000184029175	510094353	/nfs/dbraw/zinc/09/43/53/510094353.db2.gz	NHVRYCGLIQKYRB-JTQLQIEISA-N	0	2	358.348	2.582	10	0		FFAELN
O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCCC[C@@H]1c1nc[nH]n1	ZINC000194440141	510365913	/nfs/dbraw/zinc/36/59/13/510365913.db2.gz	NIQHSGFPBFKYPH-CYBMUJFWSA-N	0	2	372.816	2.717	10	0		FFAELN
O=C1O[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CN1c1ccccc1	ZINC000246857584	510713114	/nfs/dbraw/zinc/71/31/14/510713114.db2.gz	PLNBYLXMHRNZQT-AHRSYUTCSA-N	0	2	355.482	2.961	10	0		FFAELN
Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000178805759	510783085	/nfs/dbraw/zinc/78/30/85/510783085.db2.gz	NOYCASFAMPFPCO-QMTHXVAHSA-N	0	2	364.405	2.701	10	0		FFAELN
Oc1c(F)c(I)ccc1I	ZINC000306843486	511763742	/nfs/dbraw/zinc/76/37/42/511763742.db2.gz	CXHHDQAKFGKZPX-UHFFFAOYSA-N	0	2	363.895	2.741	10	0		FFAELN
C[C@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC[C@H]1O	ZINC000408142091	513009002	/nfs/dbraw/zinc/00/90/02/513009002.db2.gz	YZNPSKWGMOVKMR-JOYOIKCWSA-N	0	2	352.847	2.515	10	0		FFAELN
CCSC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC1	ZINC000600982451	520572472	/nfs/dbraw/zinc/57/24/72/520572472.db2.gz	AJJHIQRAIVPRJT-CVEARBPZSA-N	0	2	362.495	2.506	10	0		FFAELN
CCSC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC1	ZINC000600982451	520572478	/nfs/dbraw/zinc/57/24/78/520572478.db2.gz	AJJHIQRAIVPRJT-CVEARBPZSA-N	0	2	362.495	2.506	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630642777	522980748	/nfs/dbraw/zinc/98/07/48/522980748.db2.gz	BLPAQRINRIGUBH-MSOLQXFVSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630642777	522980753	/nfs/dbraw/zinc/98/07/53/522980753.db2.gz	BLPAQRINRIGUBH-MSOLQXFVSA-N	0	2	354.406	2.752	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644832	522983532	/nfs/dbraw/zinc/98/35/32/522983532.db2.gz	CQJFTJARUOJRLU-JCURWCKSSA-N	0	2	371.437	2.586	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644832	522983544	/nfs/dbraw/zinc/98/35/44/522983544.db2.gz	CQJFTJARUOJRLU-JCURWCKSSA-N	0	2	371.437	2.586	10	0		FFAELN
COCc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646375	522986369	/nfs/dbraw/zinc/98/63/69/522986369.db2.gz	WMKAOHMMGIMDRB-OALUTQOASA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1cccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646375	522986376	/nfs/dbraw/zinc/98/63/76/522986376.db2.gz	WMKAOHMMGIMDRB-OALUTQOASA-N	0	2	368.433	2.889	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(C3CC3)CCC2)[N@@H+]1Cc1ccccc1	ZINC000630648076	522988983	/nfs/dbraw/zinc/98/89/83/522988983.db2.gz	NPYFVXYBODIHLD-MSOLQXFVSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(C3CC3)CCC2)[N@H+]1Cc1ccccc1	ZINC000630648076	522988992	/nfs/dbraw/zinc/98/89/92/522988992.db2.gz	NPYFVXYBODIHLD-MSOLQXFVSA-N	0	2	356.466	2.801	10	0		FFAELN
CC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668640	523027804	/nfs/dbraw/zinc/02/78/04/523027804.db2.gz	XPWQTZCUIIYYJW-MSOLQXFVSA-N	0	2	356.466	2.799	10	0		FFAELN
CC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668640	523027817	/nfs/dbraw/zinc/02/78/17/523027817.db2.gz	XPWQTZCUIIYYJW-MSOLQXFVSA-N	0	2	356.466	2.799	10	0		FFAELN
COC(=O)C[C@H](NC(=O)C(F)(F)F)c1cccc(Br)c1	ZINC000171270256	729001735	/nfs/dbraw/zinc/00/17/35/729001735.db2.gz	GPOMLCNFBCMHCD-VIFPVBQESA-N	0	2	354.122	2.732	10	0		FFAELN
O=C(NCc1ccccc1)c1ccccc1S(=O)(=O)Nc1cccnc1	ZINC000115130566	508370829	/nfs/dbraw/zinc/37/08/29/508370829.db2.gz	WVEJJEVZJIVRAR-UHFFFAOYSA-N	0	2	367.430	2.812	10	0		FFAELN
CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(Cl)c2O)C1	ZINC000189093770	509409035	/nfs/dbraw/zinc/40/90/35/509409035.db2.gz	MARXTUPAWAUUJN-GZMMTYOYSA-N	0	2	372.208	2.993	10	0		FFAELN
CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1	ZINC000245415478	509918251	/nfs/dbraw/zinc/91/82/51/509918251.db2.gz	DHWIVLIUOBRQNY-WIYYLYMNSA-N	0	2	372.557	2.678	10	0		FFAELN
O=C([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000183934284	510045685	/nfs/dbraw/zinc/04/56/85/510045685.db2.gz	NYKPEYCSZZLGSH-MRXNPFEDSA-N	0	2	370.453	2.919	10	0		FFAELN
O=C([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2	ZINC000183934284	510045693	/nfs/dbraw/zinc/04/56/93/510045693.db2.gz	NYKPEYCSZZLGSH-MRXNPFEDSA-N	0	2	370.453	2.919	10	0		FFAELN
C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cc[nH+]c(N2CCCCCC2)c1	ZINC000184441309	510327040	/nfs/dbraw/zinc/32/70/40/510327040.db2.gz	XOMOEXYFEAJBPF-LBPRGKRZSA-N	0	2	365.421	2.832	10	0		FFAELN
O=S(=O)(Nc1cccc(-c2ncon2)c1)c1cnn(-c2ccccc2)c1	ZINC000195449628	510828883	/nfs/dbraw/zinc/82/88/83/510828883.db2.gz	IQBSKVFBEZJCDZ-UHFFFAOYSA-N	0	2	367.390	2.723	10	0		FFAELN
CCSC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC1	ZINC000600982453	520571816	/nfs/dbraw/zinc/57/18/16/520571816.db2.gz	AJJHIQRAIVPRJT-HOTGVXAUSA-N	0	2	362.495	2.506	10	0		FFAELN
CCSC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC1	ZINC000600982453	520571827	/nfs/dbraw/zinc/57/18/27/520571827.db2.gz	AJJHIQRAIVPRJT-HOTGVXAUSA-N	0	2	362.495	2.506	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984127	520574368	/nfs/dbraw/zinc/57/43/68/520574368.db2.gz	OGKCKZSMWLDHGB-IXDOHACOSA-N	0	2	364.511	2.704	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984127	520574369	/nfs/dbraw/zinc/57/43/69/520574369.db2.gz	OGKCKZSMWLDHGB-IXDOHACOSA-N	0	2	364.511	2.704	10	0		FFAELN
COCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646374	522986642	/nfs/dbraw/zinc/98/66/42/522986642.db2.gz	WMKAOHMMGIMDRB-MOPGFXCFSA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646374	522986647	/nfs/dbraw/zinc/98/66/47/522986647.db2.gz	WMKAOHMMGIMDRB-MOPGFXCFSA-N	0	2	368.433	2.889	10	0		FFAELN
CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659810	523011159	/nfs/dbraw/zinc/01/11/59/523011159.db2.gz	UNQKIGRPFPJBGJ-QZTJIDSGSA-N	0	2	356.397	2.906	10	0		FFAELN
CN(C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659810	523011165	/nfs/dbraw/zinc/01/11/65/523011165.db2.gz	UNQKIGRPFPJBGJ-QZTJIDSGSA-N	0	2	356.397	2.906	10	0		FFAELN
COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)cnc1N	ZINC000020467675	206331578	/nfs/dbraw/zinc/33/15/78/206331578.db2.gz	ZAZDZNHSBFTYHH-UHFFFAOYSA-N	0	2	372.244	2.544	10	0		FFAELN
Cc1cccc2oc(=O)c(-c3cc(O)c4ccc(=O)oc4c3O)c(O)c12	ZINC000014814624	507001138	/nfs/dbraw/zinc/00/11/38/507001138.db2.gz	HYSXPHSQRZJJCF-UHFFFAOYSA-N	0	2	352.298	2.992	10	0	biogenic,in-vitro	FFAELN
C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000047940243	507419661	/nfs/dbraw/zinc/41/96/61/507419661.db2.gz	ZKPHYTXQSLAUHP-CHWSQXEVSA-N	0	2	357.435	2.603	10	0		FFAELN
CCCn1c2ccccc2nc1NS(=O)(=O)c1ccc(C(=O)NC)cc1	ZINC000107035625	507832598	/nfs/dbraw/zinc/83/25/98/507832598.db2.gz	VIYPBJQDXPDGNJ-UHFFFAOYSA-N	0	2	372.450	2.607	10	0		FFAELN
Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c2nc(C)ccc2c1=O	ZINC000107353251	507846031	/nfs/dbraw/zinc/84/60/31/507846031.db2.gz	YZTHGTCZCUWTHE-INIZCTEOSA-N	0	2	365.437	2.971	10	0		FFAELN
CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(Cl)c(Cl)c1O	ZINC000113437447	508268101	/nfs/dbraw/zinc/26/81/01/508268101.db2.gz	VBKXOIKVBFACFU-QMMMGPOBSA-N	0	2	354.255	2.594	10	0		FFAELN
O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1O)c1ccc(O)cc1	ZINC000106458895	508401182	/nfs/dbraw/zinc/40/11/82/508401182.db2.gz	UEBBISJEUZGILW-UHFFFAOYSA-N	0	2	369.204	2.564	10	0		FFAELN
Cc1ccc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CCO2)o1	ZINC000154219396	508739491	/nfs/dbraw/zinc/73/94/91/508739491.db2.gz	OYKFSYUIZBWSMV-QGZVFWFLSA-N	0	2	371.368	2.832	10	0		FFAELN
CCc1n[nH]c(=O)c(CNC(=O)c2ccc(Cl)c(Cl)c2O)c1CC	ZINC000159007374	508780193	/nfs/dbraw/zinc/78/01/93/508780193.db2.gz	PBMUHXHGTXSGMP-UHFFFAOYSA-N	0	2	370.236	2.837	10	0		FFAELN
Cc1nc(C[C@@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)C2)no1	ZINC000132541122	509042529	/nfs/dbraw/zinc/04/25/29/509042529.db2.gz	ZIUWWJRPSJNDDF-JTQLQIEISA-N	0	2	353.781	2.971	10	0		FFAELN
C[C@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)CC[C@@H]1c1ccccc1	ZINC000132769199	509072576	/nfs/dbraw/zinc/07/25/76/509072576.db2.gz	QCYGQKMEHSFWCU-ZFWWWQNUSA-N	0	2	350.422	2.940	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(C(C)=O)cc3)sc2C1	ZINC000121493302	509176751	/nfs/dbraw/zinc/17/67/51/509176751.db2.gz	DIXGXLHODWOWJW-UHFFFAOYSA-N	0	2	365.480	2.525	10	0		FFAELN
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1	ZINC000248646035	509413418	/nfs/dbraw/zinc/41/34/18/509413418.db2.gz	GXWLHIFBWYTLSU-CVEARBPZSA-N	0	2	364.559	2.653	10	0		FFAELN
O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cc(F)cc(Cl)c1O	ZINC000176999542	509811206	/nfs/dbraw/zinc/81/12/06/509811206.db2.gz	YSUYEOHHNSXXBC-CYBMUJFWSA-N	0	2	369.801	2.833	10	0		FFAELN
O=C(c1cc(F)c(F)c(O)c1F)N1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000187636023	510364835	/nfs/dbraw/zinc/36/48/35/510364835.db2.gz	AXTYXOKFLVPSDD-ONGXEEELSA-N	0	2	357.353	2.719	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630655166	523001983	/nfs/dbraw/zinc/00/19/83/523001983.db2.gz	NPFFJNSACBITDJ-MSOLQXFVSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630655166	523001995	/nfs/dbraw/zinc/00/19/95/523001995.db2.gz	NPFFJNSACBITDJ-MSOLQXFVSA-N	0	2	356.422	2.664	10	0		FFAELN
CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659813	523012805	/nfs/dbraw/zinc/01/28/05/523012805.db2.gz	UNQKIGRPFPJBGJ-ZWKOTPCHSA-N	0	2	356.397	2.906	10	0		FFAELN
CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1ccc(F)cc1	ZINC000630659813	523012812	/nfs/dbraw/zinc/01/28/12/523012812.db2.gz	UNQKIGRPFPJBGJ-ZWKOTPCHSA-N	0	2	356.397	2.906	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660832	523015029	/nfs/dbraw/zinc/01/50/29/523015029.db2.gz	ZDSAFTNZXPBTPS-ROUUACIJSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660832	523015038	/nfs/dbraw/zinc/01/50/38/523015038.db2.gz	ZDSAFTNZXPBTPS-ROUUACIJSA-N	0	2	368.433	2.776	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630675874	523038901	/nfs/dbraw/zinc/03/89/01/523038901.db2.gz	VUVDYZBCUSAKEV-GJZGRUSLSA-N	0	2	372.387	2.905	10	0		FFAELN
CCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630675874	523038911	/nfs/dbraw/zinc/03/89/11/523038911.db2.gz	VUVDYZBCUSAKEV-GJZGRUSLSA-N	0	2	372.387	2.905	10	0		FFAELN
CCN1C(=S)N=NC1C1CCN(C(=O)c2c(O)cc(F)cc2F)CC1	ZINC000109698629	728528641	/nfs/dbraw/zinc/52/86/41/728528641.db2.gz	ABXBFCNALAOXBL-UHFFFAOYSA-N	0	2	368.409	2.590	10	0		FFAELN
O=C(C[NH2+]C1(c2noc(C3CC3)n2)CCCC1)[N-]OCc1ccccc1	ZINC000093177269	250021064	/nfs/dbraw/zinc/02/10/64/250021064.db2.gz	ZVWCRIZWTQRBOR-UHFFFAOYSA-N	0	2	356.426	2.554	10	0		FFAELN
O=C(CNC1(c2noc(C3CC3)n2)CCCC1)NOCc1ccccc1	ZINC000093177269	250021067	/nfs/dbraw/zinc/02/10/67/250021067.db2.gz	ZVWCRIZWTQRBOR-UHFFFAOYSA-N	0	2	356.426	2.554	10	0		FFAELN
Nc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cn1	ZINC000034938954	506374511	/nfs/dbraw/zinc/37/45/11/506374511.db2.gz	DOZOJTHLMXLJPS-UHFFFAOYSA-N	0	2	362.636	2.881	10	0		FFAELN
CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)Nc3cc(C)on3)cc21	ZINC000021151602	507245961	/nfs/dbraw/zinc/24/59/61/507245961.db2.gz	QKMWUKPROGMXEQ-SNVBAGLBSA-N	0	2	367.452	2.631	10	0		FFAELN
Cc1ccccc1[C@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@H](C)CO1	ZINC000132771305	509072652	/nfs/dbraw/zinc/07/26/52/509072652.db2.gz	QIKXLGANFFWPQB-CXAGYDPISA-N	0	2	366.421	2.585	10	0		FFAELN
COC(=O)[C@@H]1CCCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1	ZINC000175922091	509217228	/nfs/dbraw/zinc/21/72/28/509217228.db2.gz	IRRYFHVLIYOBEB-OAHLLOKOSA-N	0	2	371.437	2.727	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCn3cccc3[C@H]1c1ccccc1)c2=O	ZINC000179447281	509448368	/nfs/dbraw/zinc/44/83/68/509448368.db2.gz	KEFWMQDGDWKBPA-GOSISDBHSA-N	0	2	373.416	2.721	10	0		FFAELN
O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cc(F)cc(Cl)c1O	ZINC000176999559	509811026	/nfs/dbraw/zinc/81/10/26/509811026.db2.gz	YSUYEOHHNSXXBC-ZDUSSCGKSA-N	0	2	369.801	2.833	10	0		FFAELN
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1	ZINC000245417321	509917423	/nfs/dbraw/zinc/91/74/23/509917423.db2.gz	JRVNRDPEZZZPFL-VBQJREDUSA-N	0	2	353.894	2.804	10	0		FFAELN
O=C(N[C@@H]1CN(Cc2ccon2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000245548892	509997066	/nfs/dbraw/zinc/99/70/66/509997066.db2.gz	NTDOXBGKCVWDGJ-LSDHHAIUSA-N	0	2	371.334	2.850	10	0		FFAELN
Cn1cc([C@@H]2CCN(C(=O)C3=NN(c4ccc(Cl)cc4)CC3=O)C2)cn1	ZINC000194138757	510233575	/nfs/dbraw/zinc/23/35/75/510233575.db2.gz	BUAYCWZFHGVACO-GFCCVEGCSA-N	0	2	371.828	2.595	10	0		FFAELN
CS(=O)(=O)CCCCCNC(=O)c1ccc(Cl)c(Cl)c1O	ZINC000187448519	510270772	/nfs/dbraw/zinc/27/07/72/510270772.db2.gz	DLVMXEYJJVQAHH-UHFFFAOYSA-N	0	2	354.255	2.644	10	0		FFAELN
Cc1cc(NC(=O)CN(C)C(=O)c2ccc(Cl)c(Cl)c2O)no1	ZINC000171674207	510299768	/nfs/dbraw/zinc/29/97/68/510299768.db2.gz	VAPMPEKZBDMTFP-UHFFFAOYSA-N	0	2	358.181	2.706	10	0		FFAELN
CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1	ZINC000246325669	510426816	/nfs/dbraw/zinc/42/68/16/510426816.db2.gz	FVIAEGKVZFGBOV-FUHWJXTLSA-N	0	2	371.485	2.812	10	0		FFAELN
COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1cc(F)cc(F)c1)c2=O	ZINC000073660801	522185984	/nfs/dbraw/zinc/18/59/84/522185984.db2.gz	IAFLMSFNFOPCED-UHFFFAOYSA-N	0	2	362.357	2.798	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)n1	ZINC000630649726	522993152	/nfs/dbraw/zinc/99/31/52/522993152.db2.gz	VEIOSOSOGBKEPS-NUEKZKHPSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)n1	ZINC000630649726	522993158	/nfs/dbraw/zinc/99/31/58/522993158.db2.gz	VEIOSOSOGBKEPS-NUEKZKHPSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1cscc1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654493	523003120	/nfs/dbraw/zinc/00/31/20/523003120.db2.gz	WDAPVQMNCFUWFY-IRXDYDNUSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1cscc1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654493	523003128	/nfs/dbraw/zinc/00/31/28/523003128.db2.gz	WDAPVQMNCFUWFY-IRXDYDNUSA-N	0	2	358.463	2.791	10	0		FFAELN
COc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000630656033	523005728	/nfs/dbraw/zinc/00/57/28/523005728.db2.gz	YTCQAZZNNVQZGH-SJORKVTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000630656033	523005737	/nfs/dbraw/zinc/00/57/37/523005737.db2.gz	YTCQAZZNNVQZGH-SJORKVTESA-N	0	2	372.396	2.891	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(F)cc32)[N@@H+]1Cc1ccccc1	ZINC000630665618	523022510	/nfs/dbraw/zinc/02/25/10/523022510.db2.gz	APJUGIDQOKFAQI-ROUUACIJSA-N	0	2	368.408	2.833	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(F)cc32)[N@H+]1Cc1ccccc1	ZINC000630665618	523022519	/nfs/dbraw/zinc/02/25/19/523022519.db2.gz	APJUGIDQOKFAQI-ROUUACIJSA-N	0	2	368.408	2.833	10	0		FFAELN
CC(=O)Nc1ccc(S(=O)(=O)N=c2[nH]ccn2Cc2ccccc2)cc1	ZINC000033866243	539976225	/nfs/dbraw/zinc/97/62/25/539976225.db2.gz	GLPZJSPKYUVIPF-UHFFFAOYSA-N	0	2	370.434	2.691	10	0		FFAELN
CC(=O)Nc1ccc(S(=O)(=O)Nc2nccn2Cc2ccccc2)cc1	ZINC000033866243	539976228	/nfs/dbraw/zinc/97/62/28/539976228.db2.gz	GLPZJSPKYUVIPF-UHFFFAOYSA-N	0	2	370.434	2.691	10	0		FFAELN
Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000329172837	258131374	/nfs/dbraw/zinc/13/13/74/258131374.db2.gz	LCZWWHDKHDTSCZ-LBPRGKRZSA-N	0	2	370.438	2.705	10	0		FFAELN
COC(=O)c1cccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)c1C	ZINC000108759547	507916651	/nfs/dbraw/zinc/91/66/51/507916651.db2.gz	HFISWPDLIGMQDZ-GFCCVEGCSA-N	0	2	363.439	2.750	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)=N1	ZINC000119605857	508827459	/nfs/dbraw/zinc/82/74/59/508827459.db2.gz	FGTWJWIHXMEKJH-XOBRGWDASA-N	0	2	373.428	2.793	10	0		FFAELN
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000248649121	509416705	/nfs/dbraw/zinc/41/67/05/509416705.db2.gz	KPOHVLJMLIYHOP-UAGQMJEPSA-N	0	2	366.575	2.899	10	0		FFAELN
C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000176318383	509441592	/nfs/dbraw/zinc/44/15/92/509441592.db2.gz	CZPTYIKDFAMWMV-NSHDSACASA-N	0	2	363.389	2.519	10	0		FFAELN
C[C@](NC(=O)c1ccc(Cl)c(Cl)c1O)(C(N)=O)c1ccccc1	ZINC000179496188	509479259	/nfs/dbraw/zinc/47/92/59/509479259.db2.gz	YSBHIYPBQNVCPO-MRXNPFEDSA-N	0	2	353.205	2.830	10	0		FFAELN
C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(S(C)(=O)=O)cc1	ZINC000176979009	509795899	/nfs/dbraw/zinc/79/58/99/509795899.db2.gz	WJMQPQKGIPYKOH-SECBINFHSA-N	0	2	355.362	2.565	10	0		FFAELN
CC1(C)Oc2c(c(O)cc3occ(-c4ccc(O)cc4)c(=O)c32)C[C@H]1O	ZINC000261492826	509991262	/nfs/dbraw/zinc/99/12/62/509991262.db2.gz	HFVFEMFAVPWVDX-MRXNPFEDSA-N	0	2	354.358	2.946	10	0		FFAELN
O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCN(c2cccc[nH+]2)CC1	ZINC000184231522	510207176	/nfs/dbraw/zinc/20/71/76/510207176.db2.gz	LIPJHBBWACPUBR-UHFFFAOYSA-N	0	2	354.435	2.864	10	0		FFAELN
O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1O)c1ccccc1	ZINC000171673746	510299806	/nfs/dbraw/zinc/29/98/06/510299806.db2.gz	WLPPEDRJNGUSFF-UHFFFAOYSA-N	0	2	353.205	2.859	10	0		FFAELN
O=C(c1cc(Cl)cc(Br)c1O)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000408410531	513061137	/nfs/dbraw/zinc/06/11/37/513061137.db2.gz	TVDSEHRAFVWHIC-JWYUURKGSA-N	0	2	360.635	2.651	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)[N@@H+]1Cc1ccccc1	ZINC000630644930	522983412	/nfs/dbraw/zinc/98/34/12/522983412.db2.gz	MWLKJWDZFBFOTM-QZTJIDSGSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2)[N@H+]1Cc1ccccc1	ZINC000630644930	522983423	/nfs/dbraw/zinc/98/34/23/522983423.db2.gz	MWLKJWDZFBFOTM-QZTJIDSGSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCC23CC3)[N@@H+]1Cc1ccccc1	ZINC000630650733	522992074	/nfs/dbraw/zinc/99/20/74/522992074.db2.gz	PSECWTYGRMDBNT-SQNIBIBYSA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCC23CC3)[N@H+]1Cc1ccccc1	ZINC000630650733	522992083	/nfs/dbraw/zinc/99/20/83/522992083.db2.gz	PSECWTYGRMDBNT-SQNIBIBYSA-N	0	2	356.466	2.801	10	0		FFAELN
COc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000630656030	523005760	/nfs/dbraw/zinc/00/57/60/523005760.db2.gz	YTCQAZZNNVQZGH-DLBZAZTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000630656030	523005770	/nfs/dbraw/zinc/00/57/70/523005770.db2.gz	YTCQAZZNNVQZGH-DLBZAZTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660830	523016037	/nfs/dbraw/zinc/01/60/37/523016037.db2.gz	ZDSAFTNZXPBTPS-MSOLQXFVSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccccc1N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660830	523016046	/nfs/dbraw/zinc/01/60/46/523016046.db2.gz	ZDSAFTNZXPBTPS-MSOLQXFVSA-N	0	2	368.433	2.776	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672662	523035952	/nfs/dbraw/zinc/03/59/52/523035952.db2.gz	NNSVLIFZFMFFSM-UONOGXRCSA-N	0	2	358.360	2.515	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672662	523035959	/nfs/dbraw/zinc/03/59/59/523035959.db2.gz	NNSVLIFZFMFFSM-UONOGXRCSA-N	0	2	358.360	2.515	10	0		FFAELN
Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1	ZINC000134297108	728729556	/nfs/dbraw/zinc/72/95/56/728729556.db2.gz	FTYVSRJXNKDXHI-IINYFYTJSA-N	0	2	367.808	2.504	10	0		FFAELN
Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4nccs4)C3)c[nH]c12	ZINC000163420858	251188684	/nfs/dbraw/zinc/18/86/84/251188684.db2.gz	QUJQFRNALGXMDE-AWEZNQCLSA-N	0	2	355.419	2.919	10	0		FFAELN
Nc1cc(Cl)ccc1S(=O)(=O)Nc1ncc(Br)s1	ZINC000037425251	208180672	/nfs/dbraw/zinc/18/06/72/208180672.db2.gz	RKXJUHNKCMBVAL-UHFFFAOYSA-N	0	2	368.665	2.942	10	0		FFAELN
CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)c2nc3ccccc3[nH]2)C1	ZINC000095084861	209020392	/nfs/dbraw/zinc/02/03/92/209020392.db2.gz	IDMILIWBBVBLOQ-GFCCVEGCSA-N	0	2	365.455	2.736	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000286519334	257040898	/nfs/dbraw/zinc/04/08/98/257040898.db2.gz	XOSNITCGNIHGPF-ZWKOPEQDSA-N	0	2	360.237	2.701	10	0		FFAELN
C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000047940244	507419983	/nfs/dbraw/zinc/41/99/83/507419983.db2.gz	ZKPHYTXQSLAUHP-STQMWFEESA-N	0	2	357.435	2.603	10	0		FFAELN
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(-c2[nH+]ccn2C)c1	ZINC000108638794	507909699	/nfs/dbraw/zinc/90/96/99/507909699.db2.gz	AZSXFWFRGTYNAU-UHFFFAOYSA-N	0	2	365.846	2.583	10	0		FFAELN
O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)c(Cl)c1O	ZINC000112116943	508151709	/nfs/dbraw/zinc/15/17/09/508151709.db2.gz	VXJSPIAGHCBVTI-MRVPVSSYSA-N	0	2	371.142	2.592	10	0		FFAELN
COc1ccccc1CCN(C)C(=O)c1c[nH]c2nc(C)ccc2c1=O	ZINC000104907101	508351720	/nfs/dbraw/zinc/35/17/20/508351720.db2.gz	YBZSWSRJYGJDPS-UHFFFAOYSA-N	0	2	351.406	2.967	10	0		FFAELN
Cc1cc(C)cc([C@@H]2CCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)c1	ZINC000133773289	508447113	/nfs/dbraw/zinc/44/71/13/508447113.db2.gz	PXHRHEYDCRRQRI-CQSZACIVSA-N	0	2	350.422	2.920	10	0		FFAELN
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)C1	ZINC000248640407	509408384	/nfs/dbraw/zinc/40/83/84/509408384.db2.gz	CANDHDACAIFHBD-HUUCEWRRSA-N	0	2	352.548	2.508	10	0		FFAELN
CCn1cc(C2CCN(C(=O)C3=NN(c4ccccc4)CC3=O)CC2)cn1	ZINC000174029859	509912656	/nfs/dbraw/zinc/91/26/56/509912656.db2.gz	RILNNXIMPGMKJL-UHFFFAOYSA-N	0	2	365.437	2.814	10	0		FFAELN
CCOC(=O)[C@@H](NC(=O)c1cccc2[nH]nnc21)c1ccc(Cl)cc1	ZINC000194761658	510514354	/nfs/dbraw/zinc/51/43/54/510514354.db2.gz	HNQQSZFCYKWQHH-AWEZNQCLSA-N	0	2	358.785	2.646	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@@H+]1Cc1ccccc1	ZINC000630644437	522984809	/nfs/dbraw/zinc/98/48/09/522984809.db2.gz	KDFFIKFTLWEVHH-MSOLQXFVSA-N	0	2	364.405	2.619	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c[nH]nc3c2)[N@H+]1Cc1ccccc1	ZINC000630644437	522984818	/nfs/dbraw/zinc/98/48/18/522984818.db2.gz	KDFFIKFTLWEVHH-MSOLQXFVSA-N	0	2	364.405	2.619	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC3(CC3)CC2)[N@@H+]1Cc1ccccc1	ZINC000630672115	523033926	/nfs/dbraw/zinc/03/39/26/523033926.db2.gz	NGMAAHSIQFJHAX-QZTJIDSGSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NC2CCC3(CC3)CC2)[N@H+]1Cc1ccccc1	ZINC000630672115	523033932	/nfs/dbraw/zinc/03/39/32/523033932.db2.gz	NGMAAHSIQFJHAX-QZTJIDSGSA-N	0	2	356.466	2.943	10	0		FFAELN
O=S(=O)(/C=C\c1ccc(F)cc1)Nc1cn(Cc2ccccc2)nn1	ZINC000588619439	845985335	/nfs/dbraw/zinc/98/53/35/845985335.db2.gz	YYXLWZIHABBRDJ-KHPPLWFESA-N	0	2	358.398	2.878	10	0		FFAELN
Cc1ccsc1-c1nc(=NC(=O)C[C@@H](C)N2CCCCC2=O)s[nH]1	ZINC000328727856	258119250	/nfs/dbraw/zinc/11/92/50/258119250.db2.gz	DLAWXUPLDXJRNG-LLVKDONJSA-N	0	2	364.496	2.727	10	0		FFAELN
O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1O)NCc1cccnc1	ZINC000106910831	507828576	/nfs/dbraw/zinc/82/85/76/507828576.db2.gz	YVQGATRMGLUDIF-UHFFFAOYSA-N	0	2	368.220	2.530	10	0		FFAELN
COC(=O)C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1	ZINC000073068945	507891099	/nfs/dbraw/zinc/89/10/99/507891099.db2.gz	OYSAHOHHKAIAHO-MRXNPFEDSA-N	0	2	365.389	2.612	10	0		FFAELN
Cc1nc(CN2CCCN(C(=O)c3c(O)cc(F)cc3F)CC2)cs1	ZINC000109650592	507975695	/nfs/dbraw/zinc/97/56/95/507975695.db2.gz	ISFZYFUVNRMBNA-UHFFFAOYSA-N	0	2	367.421	2.783	10	0		FFAELN
CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(Cl)c(Cl)c1O	ZINC000113437444	508268178	/nfs/dbraw/zinc/26/81/78/508268178.db2.gz	VBKXOIKVBFACFU-MRVPVSSYSA-N	0	2	354.255	2.594	10	0		FFAELN
Cc1nnc([C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)c2ccccc2)[nH]1	ZINC000185791401	509358177	/nfs/dbraw/zinc/35/81/77/509358177.db2.gz	VYNOHDHIWLEOCY-AWEZNQCLSA-N	0	2	362.311	2.755	10	0		FFAELN
CC[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1	ZINC000248640399	509407424	/nfs/dbraw/zinc/40/74/24/509407424.db2.gz	CAESTMNTWADKCP-VQTJNVASSA-N	0	2	358.530	2.626	10	0		FFAELN
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)C1	ZINC000248640405	509407929	/nfs/dbraw/zinc/40/79/29/509407929.db2.gz	CANDHDACAIFHBD-CABCVRRESA-N	0	2	352.548	2.508	10	0		FFAELN
CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nn[nH]c2c1	ZINC000176733756	509663473	/nfs/dbraw/zinc/66/34/73/509663473.db2.gz	SCMDVUUJCDVCDA-SJKOYZFVSA-N	0	2	351.410	2.741	10	0		FFAELN
COc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC	ZINC000246529614	510539465	/nfs/dbraw/zinc/53/94/65/510539465.db2.gz	JIKLWHSPPKLGMB-YJBOKZPZSA-N	0	2	373.497	2.591	10	0		FFAELN
CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)CC2	ZINC000194833152	510550619	/nfs/dbraw/zinc/55/06/19/510550619.db2.gz	HEKWIWCFYYJBTH-SNVBAGLBSA-N	0	2	352.797	2.644	10	0		FFAELN
O=C(N=c1nc2n([nH]1)CCCC2)N[C@H]1CC2(CCCC2)Oc2ccccc21	ZINC000333620572	511303409	/nfs/dbraw/zinc/30/34/09/511303409.db2.gz	GGEGWLUDIQFECZ-HNNXBMFYSA-N	0	2	367.453	3.573	10	0		FFAELN
O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000408409148	513061348	/nfs/dbraw/zinc/06/13/48/513061348.db2.gz	UGLXEIUGSGCMBU-NILFDRSVSA-N	0	2	357.809	2.577	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984126	520574573	/nfs/dbraw/zinc/57/45/73/520574573.db2.gz	OGKCKZSMWLDHGB-IKGGRYGDSA-N	0	2	364.511	2.704	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984126	520574579	/nfs/dbraw/zinc/57/45/79/520574579.db2.gz	OGKCKZSMWLDHGB-IKGGRYGDSA-N	0	2	364.511	2.704	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630642782	522981788	/nfs/dbraw/zinc/98/17/88/522981788.db2.gz	BLPAQRINRIGUBH-QZTJIDSGSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630642782	522981797	/nfs/dbraw/zinc/98/17/97/522981797.db2.gz	BLPAQRINRIGUBH-QZTJIDSGSA-N	0	2	354.406	2.752	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cccc(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630645144	522983589	/nfs/dbraw/zinc/98/35/89/522983589.db2.gz	NINQAHDZRFKPAN-QZTJIDSGSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cccc(F)c2)[N@H+]1Cc1ccccc1	ZINC000630645144	522983596	/nfs/dbraw/zinc/98/35/96/522983596.db2.gz	NINQAHDZRFKPAN-QZTJIDSGSA-N	0	2	356.397	2.560	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630650454	522991295	/nfs/dbraw/zinc/99/12/95/522991295.db2.gz	YBHMDMCEXPYNEM-HOTGVXAUSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccsc1CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630650454	522991299	/nfs/dbraw/zinc/99/12/99/522991299.db2.gz	YBHMDMCEXPYNEM-HOTGVXAUSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)n1	ZINC000630649723	522991330	/nfs/dbraw/zinc/99/13/30/522991330.db2.gz	VEIOSOSOGBKEPS-CWRNSKLLSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)n1	ZINC000630649723	522991338	/nfs/dbraw/zinc/99/13/38/522991338.db2.gz	VEIOSOSOGBKEPS-CWRNSKLLSA-N	0	2	373.478	2.747	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccc(F)cc32)[N@@H+]1Cc1ccccc1	ZINC000630665605	523022744	/nfs/dbraw/zinc/02/27/44/523022744.db2.gz	APJUGIDQOKFAQI-MSOLQXFVSA-N	0	2	368.408	2.833	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCc3ccc(F)cc32)[N@H+]1Cc1ccccc1	ZINC000630665605	523022752	/nfs/dbraw/zinc/02/27/52/523022752.db2.gz	APJUGIDQOKFAQI-MSOLQXFVSA-N	0	2	368.408	2.833	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(Cl)o2)[N@@H+]1Cc1ccccc1	ZINC000630672665	523035822	/nfs/dbraw/zinc/03/58/22/523035822.db2.gz	NOTCZXNPGIMEME-GJZGRUSLSA-N	0	2	362.813	2.667	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(Cl)o2)[N@H+]1Cc1ccccc1	ZINC000630672665	523035839	/nfs/dbraw/zinc/03/58/39/523035839.db2.gz	NOTCZXNPGIMEME-GJZGRUSLSA-N	0	2	362.813	2.667	10	0		FFAELN
Cc1cccc2c(=O)c(C(=O)N3CCO[C@@H](c4nccs4)C3)c[nH]c12	ZINC000163420988	251189008	/nfs/dbraw/zinc/18/90/08/251189008.db2.gz	QUJQFRNALGXMDE-CQSZACIVSA-N	0	2	355.419	2.919	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccccc2Cl)C[C@H]1C(=O)[O-]	ZINC000008698769	207242325	/nfs/dbraw/zinc/24/23/25/207242325.db2.gz	ALFRVYGMLNWQCX-AWEZNQCLSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccccc2Cl)C[C@H]1C(=O)[O-]	ZINC000008698769	207242329	/nfs/dbraw/zinc/24/23/29/207242329.db2.gz	ALFRVYGMLNWQCX-AWEZNQCLSA-N	0	2	354.834	2.846	10	0		FFAELN
Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cn2)c1	ZINC000034938969	208117598	/nfs/dbraw/zinc/11/75/98/208117598.db2.gz	YOPWVBFUPLTIQQ-UHFFFAOYSA-N	0	2	362.636	2.881	10	0		FFAELN
COCc1nnc([C@@H]2CCCCN2C(=O)c2ccc3c(n2)CCCC3)[nH]1	ZINC000329637878	258143770	/nfs/dbraw/zinc/14/37/70/258143770.db2.gz	YTYKYSIYDHVIOZ-INIZCTEOSA-N	0	2	355.442	2.592	10	0		FFAELN
COC(=O)c1sccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1	ZINC000179095945	509260902	/nfs/dbraw/zinc/26/09/02/509260902.db2.gz	JSEWXKNCCRDTCF-UHFFFAOYSA-N	0	2	363.420	2.726	10	0		FFAELN
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1	ZINC000248905237	509538209	/nfs/dbraw/zinc/53/82/09/509538209.db2.gz	UUVPKQXGNACHRH-FXAWDEMLSA-N	0	2	367.497	2.750	10	0		FFAELN
O=C(c1cc(F)c(O)c(F)c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000186983803	509987626	/nfs/dbraw/zinc/98/76/26/509987626.db2.gz	KUWSZGQFCIUUEU-BMIGLBTASA-N	0	2	355.287	2.897	10	0		FFAELN
CCc1nnc([C@@H]2CN(C(=O)c3c(O)cc(Cl)cc3Cl)CCO2)[nH]1	ZINC000175258082	510556729	/nfs/dbraw/zinc/55/67/29/510556729.db2.gz	WXWVYSNWQQDHNE-NSHDSACASA-N	0	2	371.224	2.593	10	0		FFAELN
CCc1nc([C@@H]2CN(C(=O)c3c(O)cc(Cl)cc3Cl)CCO2)n[nH]1	ZINC000175258082	510556733	/nfs/dbraw/zinc/55/67/33/510556733.db2.gz	WXWVYSNWQQDHNE-NSHDSACASA-N	0	2	371.224	2.593	10	0		FFAELN
Cc1noc([C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3O)CCN2C)n1	ZINC000284612067	511793209	/nfs/dbraw/zinc/79/32/09/511793209.db2.gz	KKARESVXSLXNNC-NSHDSACASA-N	0	2	371.224	2.519	10	0		FFAELN
Cc1cc(Br)oc1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000408073010	512993636	/nfs/dbraw/zinc/99/36/36/512993636.db2.gz	PHMCVSTXCMUNDW-QMMMGPOBSA-N	0	2	355.192	2.542	10	0		FFAELN
CCSC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC1	ZINC000600982455	520572923	/nfs/dbraw/zinc/57/29/23/520572923.db2.gz	AJJHIQRAIVPRJT-HZPDHXFCSA-N	0	2	362.495	2.506	10	0		FFAELN
CCSC1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC1	ZINC000600982455	520572927	/nfs/dbraw/zinc/57/29/27/520572927.db2.gz	AJJHIQRAIVPRJT-HZPDHXFCSA-N	0	2	362.495	2.506	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630647396	522989169	/nfs/dbraw/zinc/98/91/69/522989169.db2.gz	KKHZGWQCOTXDBC-IMJJTQAJSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630647396	522989178	/nfs/dbraw/zinc/98/91/78/522989178.db2.gz	KKHZGWQCOTXDBC-IMJJTQAJSA-N	0	2	373.478	2.747	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@@H+]1Cc1ccccc1	ZINC000630673320	523035361	/nfs/dbraw/zinc/03/53/61/523035361.db2.gz	OGQJAXOFAIGVKP-XMTFNYHQSA-N	0	2	374.506	2.601	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@H+]1Cc1ccccc1	ZINC000630673320	523035369	/nfs/dbraw/zinc/03/53/69/523035369.db2.gz	OGQJAXOFAIGVKP-XMTFNYHQSA-N	0	2	374.506	2.601	10	0		FFAELN
CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1	ZINC000122330678	508517771	/nfs/dbraw/zinc/51/77/71/508517771.db2.gz	DVEFMTXFXOLYGL-GOSISDBHSA-N	0	2	361.534	2.847	10	0		FFAELN
CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2OC)C1	ZINC000155226404	508952328	/nfs/dbraw/zinc/95/23/28/508952328.db2.gz	DRQQARMBRXTPLC-OALUTQOASA-N	0	2	373.497	2.669	10	0		FFAELN
Cc1ccc2c(=O)c(C(=O)N3CCC(Nc4nccs4)CC3)c[nH]c2n1	ZINC000189364808	509540559	/nfs/dbraw/zinc/54/05/59/509540559.db2.gz	AZECKHXLIJKJDW-UHFFFAOYSA-N	0	2	369.450	2.817	10	0		FFAELN
O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1O)NCc1ccccn1	ZINC000187041567	510023810	/nfs/dbraw/zinc/02/38/10/510023810.db2.gz	TWNSQVYTJJZPLI-UHFFFAOYSA-N	0	2	368.220	2.530	10	0		FFAELN
COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1	ZINC000245955726	510227935	/nfs/dbraw/zinc/22/79/35/510227935.db2.gz	QMIUHNUHFOJRKE-ZBFHGGJFSA-N	0	2	372.469	2.700	10	0		FFAELN
NC(=O)c1cccc(CCNC(=O)c2ccc(Cl)c(Cl)c2O)c1	ZINC000171616952	510253420	/nfs/dbraw/zinc/25/34/20/510253420.db2.gz	VROZJJNCCMAJLK-UHFFFAOYSA-N	0	2	353.205	2.770	10	0		FFAELN
CCc1nn(C)c(CC)c1CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2	ZINC000190663131	510268963	/nfs/dbraw/zinc/26/89/63/510268963.db2.gz	FJRFVFFAWGJDQE-CYBMUJFWSA-N	0	2	357.454	2.736	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3cccc4cccnc43)sc2C1	ZINC000172379542	510698310	/nfs/dbraw/zinc/69/83/10/510698310.db2.gz	QWBREMOWWRCKAY-UHFFFAOYSA-N	0	2	374.491	2.870	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H](c3cc(F)ccc3F)C1)c2=O	ZINC000191536587	510709817	/nfs/dbraw/zinc/70/98/17/510709817.db2.gz	DXSKWZJIXKYSAS-LLVKDONJSA-N	0	2	372.375	2.972	10	0		FFAELN
O=C(c1cc(Cl)cc(Br)c1O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000408410533	513061338	/nfs/dbraw/zinc/06/13/38/513061338.db2.gz	TVDSEHRAFVWHIC-VIRWGQHYSA-N	0	2	360.635	2.651	10	0		FFAELN
O=C(c1cc(Br)cc(Cl)c1O)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000408410833	513062112	/nfs/dbraw/zinc/06/21/12/513062112.db2.gz	ZZHIXIZIRAICMR-JWYUURKGSA-N	0	2	360.635	2.651	10	0		FFAELN
Cc1ccncc1S(=O)(=O)NC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	ZINC000408504512	513083595	/nfs/dbraw/zinc/08/35/95/513083595.db2.gz	VEUYCYSSJGWHIP-QWRGUYRKSA-N	0	2	350.362	2.564	10	0		FFAELN
COc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644802	522983960	/nfs/dbraw/zinc/98/39/60/522983960.db2.gz	LZNRAAWRFHQBET-SJORKVTESA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644802	522983968	/nfs/dbraw/zinc/98/39/68/522983968.db2.gz	LZNRAAWRFHQBET-SJORKVTESA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644800	522984706	/nfs/dbraw/zinc/98/47/06/522984706.db2.gz	LZNRAAWRFHQBET-IAGOWNOFSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644800	522984712	/nfs/dbraw/zinc/98/47/12/522984712.db2.gz	LZNRAAWRFHQBET-IAGOWNOFSA-N	0	2	354.406	2.752	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630649953	522992254	/nfs/dbraw/zinc/99/22/54/522992254.db2.gz	MQJHDAAQGFSVSD-ROUUACIJSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630649953	522992265	/nfs/dbraw/zinc/99/22/65/522992265.db2.gz	MQJHDAAQGFSVSD-ROUUACIJSA-N	0	2	354.406	2.757	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3ccccc32)[N@@H+]1Cc1ccccc1	ZINC000630653355	522997580	/nfs/dbraw/zinc/99/75/80/522997580.db2.gz	KFIDKUAEBDGCPP-AABGKKOBSA-N	0	2	364.445	2.908	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3ccccc32)[N@H+]1Cc1ccccc1	ZINC000630653355	522997594	/nfs/dbraw/zinc/99/75/94/522997594.db2.gz	KFIDKUAEBDGCPP-AABGKKOBSA-N	0	2	364.445	2.908	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CC23CCCCC3)[N@@H+]1Cc1ccccc1	ZINC000630662558	523018410	/nfs/dbraw/zinc/01/84/10/523018410.db2.gz	FSBMBKMWNQKTKR-FGTMMUONSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CC23CCCCC3)[N@H+]1Cc1ccccc1	ZINC000630662558	523018415	/nfs/dbraw/zinc/01/84/15/523018415.db2.gz	FSBMBKMWNQKTKR-FGTMMUONSA-N	0	2	356.466	2.943	10	0		FFAELN
Cc1cnn([C@@H]2CCCN(C(=O)c3c[nH]c4nc(C)ccc4c3=O)C2)c1	ZINC000107353267	507845909	/nfs/dbraw/zinc/84/59/09/507845909.db2.gz	VCLZZEBJGCSASQ-CQSZACIVSA-N	0	2	351.410	2.626	10	0		FFAELN
Cc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CCO2)o1	ZINC000154219317	508739311	/nfs/dbraw/zinc/73/93/11/508739311.db2.gz	OYKFSYUIZBWSMV-KRWDZBQOSA-N	0	2	371.368	2.832	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCO[C@@H](c3ccccc3Cl)C1)c2=O	ZINC000132668089	509059111	/nfs/dbraw/zinc/05/91/11/509059111.db2.gz	QLLIGGNXSSMBBH-OAHLLOKOSA-N	0	2	372.812	2.541	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2c2cnn(C)c2)=N1	ZINC000175990099	509259246	/nfs/dbraw/zinc/25/92/46/509259246.db2.gz	OMGQDVYLQCDRIV-MRXNPFEDSA-N	0	2	369.400	2.736	10	0		FFAELN
Cc1nc(C[C@H]2CCCN(C(=O)c3cc(F)c(F)c(O)c3F)C2)no1	ZINC000185848789	509386053	/nfs/dbraw/zinc/38/60/53/509386053.db2.gz	VNTBABDVZMZYMS-SECBINFHSA-N	0	2	355.316	2.596	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@@H](CSc3ccccc3)C1)c2=O	ZINC000179523823	509495035	/nfs/dbraw/zinc/49/50/35/509495035.db2.gz	PSYNOGAABHDNBA-CYBMUJFWSA-N	0	2	368.462	2.928	10	0		FFAELN
CCc1nc2c(s1)[C@H](N(C)C(=O)c1c[nH]c3c(cnn3C)c1=O)CCC2	ZINC000179547073	509503198	/nfs/dbraw/zinc/50/31/98/509503198.db2.gz	ISMNCAGTTDIEES-CYBMUJFWSA-N	0	2	371.466	2.842	10	0		FFAELN
CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc(Cl)c(Cl)c1O	ZINC000179974116	509696706	/nfs/dbraw/zinc/69/67/06/509696706.db2.gz	ROARKZIHPNWMBV-UHFFFAOYSA-N	0	2	354.255	2.594	10	0		FFAELN
CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1	ZINC000187347521	510210824	/nfs/dbraw/zinc/21/08/24/510210824.db2.gz	NEMDOUSXQXPZHP-JTQLQIEISA-N	0	2	352.797	2.816	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@H](Cc3ccc(F)cc3)C1)c2=O	ZINC000182039941	510724732	/nfs/dbraw/zinc/72/47/32/510724732.db2.gz	JPQXKUSOMLODRG-CYBMUJFWSA-N	0	2	354.385	2.518	10	0		FFAELN
COC(=O)c1cc(Br)c(O)cc1I	ZINC000575713381	518253208	/nfs/dbraw/zinc/25/32/08/518253208.db2.gz	ZHMMVNHBCPTPHD-UHFFFAOYSA-N	0	2	356.941	2.546	10	0		FFAELN
CC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630644886	522983286	/nfs/dbraw/zinc/98/32/86/522983286.db2.gz	CYEDBMUJXYKDTC-XHSDSOJGSA-N	0	2	373.478	2.828	10	0		FFAELN
CC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630644886	522983294	/nfs/dbraw/zinc/98/32/94/522983294.db2.gz	CYEDBMUJXYKDTC-XHSDSOJGSA-N	0	2	373.478	2.828	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)F	ZINC000630647716	522988222	/nfs/dbraw/zinc/98/82/22/522988222.db2.gz	CBHDKEICYZQXNE-CFVMTHIKSA-N	0	2	354.397	2.512	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)F	ZINC000630647716	522988235	/nfs/dbraw/zinc/98/82/35/522988235.db2.gz	CBHDKEICYZQXNE-CFVMTHIKSA-N	0	2	354.397	2.512	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)n1	ZINC000630649722	522993121	/nfs/dbraw/zinc/99/31/21/522993121.db2.gz	VEIOSOSOGBKEPS-BPUTZDHNSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)n1	ZINC000630649722	522993131	/nfs/dbraw/zinc/99/31/31/522993131.db2.gz	VEIOSOSOGBKEPS-BPUTZDHNSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630668203	523029047	/nfs/dbraw/zinc/02/90/47/523029047.db2.gz	GOZLAWHNABUTGE-ZWKOTPCHSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630668203	523029052	/nfs/dbraw/zinc/02/90/52/523029052.db2.gz	GOZLAWHNABUTGE-ZWKOTPCHSA-N	0	2	356.422	2.664	10	0		FFAELN
O=C(NCCc1nnc2n1CCCCC2)c1ccc(Cl)c(Cl)c1O	ZINC000106455952	250272205	/nfs/dbraw/zinc/27/22/05/250272205.db2.gz	FLYJWTXZNCEBSS-UHFFFAOYSA-N	0	2	369.252	2.989	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000286519321	257040777	/nfs/dbraw/zinc/04/07/77/257040777.db2.gz	XOSNITCGNIHGPF-BIMULSAOSA-N	0	2	360.237	2.701	10	0		FFAELN
C[C@H]1C[C@@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1	ZINC000075517259	508113116	/nfs/dbraw/zinc/11/31/16/508113116.db2.gz	GXABVPCGCNZHCV-FZMZJTMJSA-N	0	2	350.465	2.616	10	0		FFAELN
C[C@H]1C[C@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1	ZINC000075517264	508113289	/nfs/dbraw/zinc/11/32/89/508113289.db2.gz	GXABVPCGCNZHCV-SMDDNHRTSA-N	0	2	350.465	2.616	10	0		FFAELN
NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1O	ZINC000112394498	508181983	/nfs/dbraw/zinc/18/19/83/508181983.db2.gz	CWRJEFGDIWPICG-UHFFFAOYSA-N	0	2	353.205	2.827	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC=C(c3ccc(F)cc3)CC1)c2=O	ZINC000119122489	508730489	/nfs/dbraw/zinc/73/04/89/508730489.db2.gz	JQOZVPBPXGXKMM-UHFFFAOYSA-N	0	2	352.369	2.743	10	0		FFAELN
COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CC2	ZINC000151777489	509081517	/nfs/dbraw/zinc/08/15/17/509081517.db2.gz	YFMNXXSFBXUVCT-SIKLNZKXSA-N	0	2	352.478	2.691	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2C1	ZINC000121493581	509176674	/nfs/dbraw/zinc/17/66/74/509176674.db2.gz	NDARWQAOMHGZOF-UHFFFAOYSA-N	0	2	351.497	2.939	10	0		FFAELN
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1c[nH]c3c(cnn3C)c1=O)CCC2	ZINC000179492754	509476764	/nfs/dbraw/zinc/47/67/64/509476764.db2.gz	ZOOSLDUBQJDDOP-ZDUSSCGKSA-N	0	2	357.439	2.588	10	0		FFAELN
CCn1cc([C@H]2CN(C(=O)c3cc(F)c(O)c(Cl)c3)CCO2)cn1	ZINC000192665453	509589327	/nfs/dbraw/zinc/58/93/27/509589327.db2.gz	LIQJYGWGJAOLKI-CQSZACIVSA-N	0	2	353.781	2.615	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@@H](c3c(F)cccc3F)C1)c2=O	ZINC000184029199	510094577	/nfs/dbraw/zinc/09/45/77/510094577.db2.gz	NHVRYCGLIQKYRB-SNVBAGLBSA-N	0	2	358.348	2.582	10	0		FFAELN
COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1	ZINC000245806928	510152354	/nfs/dbraw/zinc/15/23/54/510152354.db2.gz	YRMIKEOIHRDKFU-CRAIPNDOSA-N	0	2	357.454	2.796	10	0		FFAELN
O=C(NCc1cccnc1-n1cncn1)c1ccc(Cl)c(Cl)c1O	ZINC000171674181	510299571	/nfs/dbraw/zinc/29/95/71/510299571.db2.gz	BDLAFAABFNKYRI-UHFFFAOYSA-N	0	2	364.192	2.605	10	0		FFAELN
Cc1ccc2c(n1)OCCN2C(=O)C1=NN(c2ccc(F)cc2C)CC1=O	ZINC000181606185	510496712	/nfs/dbraw/zinc/49/67/12/510496712.db2.gz	BLXZMODKZRVKMB-UHFFFAOYSA-N	0	2	368.368	2.768	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCO3)[N@@H+]1Cc1ccccc1	ZINC000630643944	522985076	/nfs/dbraw/zinc/98/50/76/522985076.db2.gz	IJMRDRQPUUPXFV-QZTJIDSGSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)CCO3)[N@H+]1Cc1ccccc1	ZINC000630643944	522985086	/nfs/dbraw/zinc/98/50/86/522985086.db2.gz	IJMRDRQPUUPXFV-QZTJIDSGSA-N	0	2	366.417	2.678	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630647388	522989476	/nfs/dbraw/zinc/98/94/76/522989476.db2.gz	KKHZGWQCOTXDBC-BPUTZDHNSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1cnc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630647388	522989487	/nfs/dbraw/zinc/98/94/87/522989487.db2.gz	KKHZGWQCOTXDBC-BPUTZDHNSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1O	ZINC000630650486	522993511	/nfs/dbraw/zinc/99/35/11/522993511.db2.gz	YRHXSVHZQPNFCV-IRXDYDNUSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1O	ZINC000630650486	522993517	/nfs/dbraw/zinc/99/35/17/522993517.db2.gz	YRHXSVHZQPNFCV-IRXDYDNUSA-N	0	2	354.406	2.757	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649439	522993535	/nfs/dbraw/zinc/99/35/35/522993535.db2.gz	TUQYRXYNCJHLSK-MSOLQXFVSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(F)c(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649439	522993547	/nfs/dbraw/zinc/99/35/47/522993547.db2.gz	TUQYRXYNCJHLSK-MSOLQXFVSA-N	0	2	372.396	2.891	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630649328	522993672	/nfs/dbraw/zinc/99/36/72/522993672.db2.gz	IRVKTRIZZWUPEX-MSOLQXFVSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1cc(O)cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630649328	522993680	/nfs/dbraw/zinc/99/36/80/522993680.db2.gz	IRVKTRIZZWUPEX-MSOLQXFVSA-N	0	2	354.406	2.757	10	0		FFAELN
CC(C)(NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630657277	523007416	/nfs/dbraw/zinc/00/74/16/523007416.db2.gz	OQTLMHRIAVDADG-HUUCEWRRSA-N	0	2	373.478	2.612	10	0		FFAELN
CC(C)(NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630657277	523007429	/nfs/dbraw/zinc/00/74/29/523007429.db2.gz	OQTLMHRIAVDADG-HUUCEWRRSA-N	0	2	373.478	2.612	10	0		FFAELN
Nc1cc(S(=O)(=O)Nc2ncc(Br)s2)ccc1Cl	ZINC000037425263	208180201	/nfs/dbraw/zinc/18/02/01/208180201.db2.gz	HLWOORAWLCAWMF-UHFFFAOYSA-N	0	2	368.665	2.942	10	0		FFAELN
Nc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH+]c1N1CCC(C(=O)[O-])CC1	ZINC000040755887	136120544	/nfs/dbraw/zinc/12/05/44/136120544.db2.gz	LTRTYOORFYRSIJ-UHFFFAOYSA-N	0	2	371.485	2.741	10	0		FFAELN
CCC(=O)N1CCc2sc(S(=O)(=O)Nc3ccccc3)cc2C1	ZINC000065196198	506267696	/nfs/dbraw/zinc/26/76/96/506267696.db2.gz	MOEQGCULSGEWRS-UHFFFAOYSA-N	0	2	350.465	2.844	10	0		FFAELN
Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C	ZINC000109425367	507962189	/nfs/dbraw/zinc/96/21/89/507962189.db2.gz	ABMVRJDAHHAZNM-UHFFFAOYSA-N	0	2	363.270	2.902	10	0		FFAELN
O=C(CCc1ccc2c(c1)OCCO2)Nc1nc(-c2ccccc2F)n[nH]1	ZINC000109626103	507972195	/nfs/dbraw/zinc/97/21/95/507972195.db2.gz	DPUOVNLCPIRXSY-UHFFFAOYSA-N	0	2	368.368	2.953	10	0		FFAELN
CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1	ZINC000133715688	508438788	/nfs/dbraw/zinc/43/87/88/508438788.db2.gz	SYSXQXUBDCTDFF-JTQLQIEISA-N	0	2	352.797	2.816	10	0		FFAELN
O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCCN1C(=O)Nc1ccccc1	ZINC000153708986	508631375	/nfs/dbraw/zinc/63/13/75/508631375.db2.gz	RVPIPQCYOKMAOM-MRXNPFEDSA-N	0	2	350.382	2.593	10	0		FFAELN
COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)cc1	ZINC000119272322	508761605	/nfs/dbraw/zinc/76/16/05/508761605.db2.gz	JEFDMMKIWFBFTA-OCCSQVGLSA-N	0	2	366.421	2.701	10	0		FFAELN
O=C(Nc1cnn(-c2ncccn2)c1)c1ccc(Cl)c(Cl)c1O	ZINC000132542821	509042465	/nfs/dbraw/zinc/04/24/65/509042465.db2.gz	LLVJARJDAQGORI-UHFFFAOYSA-N	0	2	350.165	2.927	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCO[C@H](c3ccccc3Cl)C1)c2=O	ZINC000132667909	509058947	/nfs/dbraw/zinc/05/89/47/509058947.db2.gz	QLLIGGNXSSMBBH-HNNXBMFYSA-N	0	2	372.812	2.541	10	0		FFAELN
O=S(=O)(NCC(F)(F)F)N1CCC[C@@H](c2cc(F)ccc2F)C1	ZINC000195469221	509183163	/nfs/dbraw/zinc/18/31/63/509183163.db2.gz	OEQJVJNKIVPCDX-SECBINFHSA-N	0	2	358.332	2.541	10	0		FFAELN
O=C(c1c(O)cc(F)cc1F)N1CCN(c2nc3ccccc3o2)CC1	ZINC000172411486	510714134	/nfs/dbraw/zinc/71/41/34/510714134.db2.gz	MRVNIHHHAFSVOZ-UHFFFAOYSA-N	0	2	359.332	2.774	10	0		FFAELN
Oc1c(I)ccc(F)c1I	ZINC000306815557	511763539	/nfs/dbraw/zinc/76/35/39/511763539.db2.gz	BMQSYKVROUBGGM-UHFFFAOYSA-N	0	2	363.895	2.741	10	0		FFAELN
CSC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCC1	ZINC000600984078	520575075	/nfs/dbraw/zinc/57/50/75/520575075.db2.gz	NCOVYKFMRFWRRF-JKSUJKDBSA-N	0	2	362.495	2.506	10	0		FFAELN
CSC1(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCC1	ZINC000600984078	520575078	/nfs/dbraw/zinc/57/50/78/520575078.db2.gz	NCOVYKFMRFWRRF-JKSUJKDBSA-N	0	2	362.495	2.506	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630643289	522981481	/nfs/dbraw/zinc/98/14/81/522981481.db2.gz	FUVWXMGARAFZPS-DLBZAZTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(F)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630643289	522981487	/nfs/dbraw/zinc/98/14/87/522981487.db2.gz	FUVWXMGARAFZPS-DLBZAZTESA-N	0	2	372.396	2.891	10	0		FFAELN
COCc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630646399	522986837	/nfs/dbraw/zinc/98/68/37/522986837.db2.gz	XBPSAILIAHMVNJ-MOPGFXCFSA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1ccccc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630646399	522986844	/nfs/dbraw/zinc/98/68/44/522986844.db2.gz	XBPSAILIAHMVNJ-MOPGFXCFSA-N	0	2	368.433	2.889	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630654367	523003502	/nfs/dbraw/zinc/00/35/02/523003502.db2.gz	BEWGBXRPWPAMQT-ZWKOTPCHSA-N	0	2	356.422	2.746	10	0		FFAELN
CCN(Cc1ccoc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630654367	523003513	/nfs/dbraw/zinc/00/35/13/523003513.db2.gz	BEWGBXRPWPAMQT-ZWKOTPCHSA-N	0	2	356.422	2.746	10	0		FFAELN
CC(C)(NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630657275	523009293	/nfs/dbraw/zinc/00/92/93/523009293.db2.gz	OQTLMHRIAVDADG-GJZGRUSLSA-N	0	2	373.478	2.612	10	0		FFAELN
CC(C)(NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630657275	523009304	/nfs/dbraw/zinc/00/93/04/523009304.db2.gz	OQTLMHRIAVDADG-GJZGRUSLSA-N	0	2	373.478	2.612	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660451	523010368	/nfs/dbraw/zinc/01/03/68/523010368.db2.gz	VLUKFSYVDBIREU-JKSUJKDBSA-N	0	2	373.478	2.528	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660451	523010372	/nfs/dbraw/zinc/01/03/72/523010372.db2.gz	VLUKFSYVDBIREU-JKSUJKDBSA-N	0	2	373.478	2.528	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660449	523011966	/nfs/dbraw/zinc/01/19/66/523011966.db2.gz	VLUKFSYVDBIREU-HOTGVXAUSA-N	0	2	373.478	2.528	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660449	523011977	/nfs/dbraw/zinc/01/19/77/523011977.db2.gz	VLUKFSYVDBIREU-HOTGVXAUSA-N	0	2	373.478	2.528	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCc3occc32)[N@@H+]1Cc1ccccc1	ZINC000630660532	523015183	/nfs/dbraw/zinc/01/51/83/523015183.db2.gz	XWBGAFUISGNHNZ-KURKYZTESA-N	0	2	368.433	2.891	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCc3occc32)[N@H+]1Cc1ccccc1	ZINC000630660532	523015192	/nfs/dbraw/zinc/01/51/92/523015192.db2.gz	XWBGAFUISGNHNZ-KURKYZTESA-N	0	2	368.433	2.891	10	0		FFAELN
O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000008698746	207242046	/nfs/dbraw/zinc/24/20/46/207242046.db2.gz	AEKFZDZTSFGBDC-GOSISDBHSA-N	0	2	354.406	2.594	10	0		FFAELN
O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000008698746	207242051	/nfs/dbraw/zinc/24/20/51/207242051.db2.gz	AEKFZDZTSFGBDC-GOSISDBHSA-N	0	2	354.406	2.594	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(Cl)c2)C[C@@H]1C(=O)[O-]	ZINC000008698766	207241474	/nfs/dbraw/zinc/24/14/74/207241474.db2.gz	NBOLQSLZPGQQMA-CQSZACIVSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1C(=O)[O-]	ZINC000008698766	207241477	/nfs/dbraw/zinc/24/14/77/207241477.db2.gz	NBOLQSLZPGQQMA-CQSZACIVSA-N	0	2	354.834	2.846	10	0		FFAELN
CO[C@H](C)CNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1	ZINC000302695383	258108418	/nfs/dbraw/zinc/10/84/18/258108418.db2.gz	WFMCCDKSKBZXQX-CYBMUJFWSA-N	0	2	372.450	2.877	10	0		FFAELN
C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000047478201	507342291	/nfs/dbraw/zinc/34/22/91/507342291.db2.gz	DXDPVCAETMJOOJ-SECBINFHSA-N	0	2	358.785	2.510	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@](C)(c3ccccc3)C1)c2=O	ZINC000119251227	508757368	/nfs/dbraw/zinc/75/73/68/508757368.db2.gz	XOGWRKGFUJDMPY-HXUWFJFHSA-N	0	2	350.422	2.868	10	0		FFAELN
Cc1ccc(OC2CCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)CC2)cc1	ZINC000119262843	508759916	/nfs/dbraw/zinc/75/99/16/508759916.db2.gz	BOMOKWVDNNXNNJ-UHFFFAOYSA-N	0	2	366.421	2.666	10	0		FFAELN
O=S(=O)(NCC(F)(F)F)N1CCC[C@H](c2cc(F)ccc2F)C1	ZINC000195469225	509182666	/nfs/dbraw/zinc/18/26/66/509182666.db2.gz	OEQJVJNKIVPCDX-VIFPVBQESA-N	0	2	358.332	2.541	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1CCc1ccccc1)c2=O	ZINC000179442463	509445350	/nfs/dbraw/zinc/44/53/50/509445350.db2.gz	JCDYWWXHCKMKQP-OAHLLOKOSA-N	0	2	350.422	2.911	10	0		FFAELN
COc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1Cl	ZINC000182887507	509478962	/nfs/dbraw/zinc/47/89/62/509478962.db2.gz	DCPZEOARNPGRRW-KRWDZBQOSA-N	0	2	351.922	2.951	10	0		FFAELN
C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180654285	510036843	/nfs/dbraw/zinc/03/68/43/510036843.db2.gz	GVUSBLPFJUQLFH-OAHLLOKOSA-N	0	2	369.469	2.681	10	0		FFAELN
O=C(Nc1ccc2nn[nH]c2c1)C1CCN(C(=O)c2cccs2)CC1	ZINC000177845894	510286316	/nfs/dbraw/zinc/28/63/16/510286316.db2.gz	XDPOGSLVPDKGOH-UHFFFAOYSA-N	0	2	355.423	2.510	10	0		FFAELN
O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccc(O)cc2o1	ZINC000246278956	510403159	/nfs/dbraw/zinc/40/31/59/510403159.db2.gz	ATZFMRXLTXJTFM-IFXJQAMLSA-N	0	2	354.450	2.947	10	0		FFAELN
O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccc(O)cc2o1	ZINC000246278956	510403166	/nfs/dbraw/zinc/40/31/66/510403166.db2.gz	ATZFMRXLTXJTFM-IFXJQAMLSA-N	0	2	354.450	2.947	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)c(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630644036	522984052	/nfs/dbraw/zinc/98/40/52/522984052.db2.gz	ANRPYQQQFWEQTD-QZTJIDSGSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)c(F)c2)[N@H+]1Cc1ccccc1	ZINC000630644036	522984067	/nfs/dbraw/zinc/98/40/67/522984067.db2.gz	ANRPYQQQFWEQTD-QZTJIDSGSA-N	0	2	374.387	2.699	10	0		FFAELN
C[C@]1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCS1	ZINC000630644957	522985028	/nfs/dbraw/zinc/98/50/28/522985028.db2.gz	DGUZPDGSZTXAKN-TXPKVOOTSA-N	0	2	362.495	2.506	10	0		FFAELN
C[C@]1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCS1	ZINC000630644957	522985037	/nfs/dbraw/zinc/98/50/37/522985037.db2.gz	DGUZPDGSZTXAKN-TXPKVOOTSA-N	0	2	362.495	2.506	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2F)[N@@H+]1Cc1ccccc1	ZINC000630646830	522985685	/nfs/dbraw/zinc/98/56/85/522985685.db2.gz	FPTGYKLVUOVLBI-QZTJIDSGSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ccc(F)cc2F)[N@H+]1Cc1ccccc1	ZINC000630646830	522985695	/nfs/dbraw/zinc/98/56/95/522985695.db2.gz	FPTGYKLVUOVLBI-QZTJIDSGSA-N	0	2	374.387	2.699	10	0		FFAELN
COCc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646377	522986908	/nfs/dbraw/zinc/98/69/08/522986908.db2.gz	WMKAOHMMGIMDRB-RTBURBONSA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646377	522986913	/nfs/dbraw/zinc/98/69/13/522986913.db2.gz	WMKAOHMMGIMDRB-RTBURBONSA-N	0	2	368.433	2.889	10	0		FFAELN
Cc1csc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630650669	522992670	/nfs/dbraw/zinc/99/26/70/522992670.db2.gz	QDRWPHIRASKWEY-IAGOWNOFSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1csc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630650669	522992678	/nfs/dbraw/zinc/99/26/78/522992678.db2.gz	QDRWPHIRASKWEY-IAGOWNOFSA-N	0	2	358.463	2.791	10	0		FFAELN
COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1O	ZINC000014821367	211101767	/nfs/dbraw/zinc/10/17/67/211101767.db2.gz	XRHHDQSPFPQKMS-UHFFFAOYSA-N	0	2	360.318	2.603	10	0	endogenous,in-man	FFAELN
C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccc2c(c1)OCCO2	ZINC000072857219	507864827	/nfs/dbraw/zinc/86/48/27/507864827.db2.gz	CWIXDSBNTHSXHZ-CYBMUJFWSA-N	0	2	365.389	2.840	10	0		FFAELN
C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000119271451	508762047	/nfs/dbraw/zinc/76/20/47/508762047.db2.gz	FPIZQZZDKYXTCG-DGCLKSJQSA-N	0	2	354.385	2.831	10	0		FFAELN
C[N@@H+]1CC[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)[C@H]1c1ccccc1	ZINC000248044228	509222711	/nfs/dbraw/zinc/22/27/11/509222711.db2.gz	MQWSMKHPBXGOAA-RTBURBONSA-N	0	2	353.470	2.675	10	0		FFAELN
CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)C(C)C)c(F)c1Cl	ZINC000172969068	509328389	/nfs/dbraw/zinc/32/83/89/509328389.db2.gz	MEYLYZLKXWBREB-ZETCQYMHSA-N	0	2	354.806	2.899	10	0		FFAELN
CCN(C(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000182889522	509478477	/nfs/dbraw/zinc/47/84/77/509478477.db2.gz	IEURDGLORZFRLA-CTNGQTDRSA-N	0	2	372.557	2.530	10	0		FFAELN
O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000245771404	510138829	/nfs/dbraw/zinc/13/88/29/510138829.db2.gz	MSVWCISLALZJJZ-DLBZAZTESA-N	0	2	366.465	2.737	10	0		FFAELN
CN(C)c1noc(C2CCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)n1	ZINC000193961859	510150872	/nfs/dbraw/zinc/15/08/72/510150872.db2.gz	PLSAIKWQCCWCDO-UHFFFAOYSA-N	0	2	368.796	2.654	10	0		FFAELN
CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)CC2	ZINC000178223933	510496569	/nfs/dbraw/zinc/49/65/69/510496569.db2.gz	OYBHXWBBVYGBIE-JTQLQIEISA-N	0	2	352.797	2.644	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCSC[C@@H]1c1ccccc1)c2=O	ZINC000182016603	510710881	/nfs/dbraw/zinc/71/08/81/510710881.db2.gz	RDSTWVIJGIRMPF-OAHLLOKOSA-N	0	2	354.435	2.604	10	0		FFAELN
COc1cc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc(OC)c1	ZINC000246964839	510773708	/nfs/dbraw/zinc/77/37/08/510773708.db2.gz	VDIHZCQYKFMGIA-MGPUTAFESA-N	0	2	373.497	2.591	10	0		FFAELN
Cc1cc(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000178805767	510782933	/nfs/dbraw/zinc/78/29/33/510782933.db2.gz	NOYCASFAMPFPCO-YGRLFVJLSA-N	0	2	364.405	2.701	10	0		FFAELN
COCc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630646376	522987152	/nfs/dbraw/zinc/98/71/52/522987152.db2.gz	WMKAOHMMGIMDRB-RBUKOAKNSA-N	0	2	368.433	2.889	10	0		FFAELN
COCc1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630646376	522987161	/nfs/dbraw/zinc/98/71/61/522987161.db2.gz	WMKAOHMMGIMDRB-RBUKOAKNSA-N	0	2	368.433	2.889	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)o1	ZINC000630655180	523002297	/nfs/dbraw/zinc/00/22/97/523002297.db2.gz	NPFFJNSACBITDJ-ZWKOTPCHSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)o1	ZINC000630655180	523002302	/nfs/dbraw/zinc/00/23/02/523002302.db2.gz	NPFFJNSACBITDJ-ZWKOTPCHSA-N	0	2	356.422	2.664	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCC3(CC3)CC2)[N@@H+]1Cc1ccccc1	ZINC000630672112	523034560	/nfs/dbraw/zinc/03/45/60/523034560.db2.gz	NGMAAHSIQFJHAX-MSOLQXFVSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCC3(CC3)CC2)[N@H+]1Cc1ccccc1	ZINC000630672112	523034566	/nfs/dbraw/zinc/03/45/66/523034566.db2.gz	NGMAAHSIQFJHAX-MSOLQXFVSA-N	0	2	356.466	2.943	10	0		FFAELN
CC(C)COC(=O)N1CCCN(C(=O)c2c(O)cc(F)cc2F)CC1	ZINC000101672429	728487513	/nfs/dbraw/zinc/48/75/13/728487513.db2.gz	VXOBZELEDAHCAQ-UHFFFAOYSA-N	0	2	356.369	2.611	10	0		FFAELN
O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@@H+]1Cc1ccccc1	ZINC000008698747	506662823	/nfs/dbraw/zinc/66/28/23/506662823.db2.gz	AEKFZDZTSFGBDC-SFHVURJKSA-N	0	2	354.406	2.594	10	0		FFAELN
O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1Cc1ccccc1	ZINC000008698747	506662828	/nfs/dbraw/zinc/66/28/28/506662828.db2.gz	AEKFZDZTSFGBDC-SFHVURJKSA-N	0	2	354.406	2.594	10	0		FFAELN
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCCCc1cccc(F)c1	ZINC000109362100	507957580	/nfs/dbraw/zinc/95/75/80/507957580.db2.gz	KVUGNFXMWJNBPA-UHFFFAOYSA-N	0	2	374.441	2.898	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@]1(C)Cc1ccccc1)c2=O	ZINC000186215086	509582689	/nfs/dbraw/zinc/58/26/89/509582689.db2.gz	WHFMERWZGSPGHV-FQEVSTJZSA-N	0	2	350.422	2.911	10	0		FFAELN
Cc1cc(N2CCC[C@@H](Nc3nc(-c4ccc(C)cc4)no3)C2=O)n(C)n1	ZINC000180266939	509840405	/nfs/dbraw/zinc/84/04/05/509840405.db2.gz	IRQIQPMASWKSKH-OAHLLOKOSA-N	0	2	366.425	2.694	10	0		FFAELN
CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(Cl)c2O)C1	ZINC000190003654	509879144	/nfs/dbraw/zinc/87/91/44/509879144.db2.gz	MARXTUPAWAUUJN-KCJUWKMLSA-N	0	2	372.208	2.993	10	0		FFAELN
CC1(C)CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CCS1(=O)=O	ZINC000194218893	510265234	/nfs/dbraw/zinc/26/52/34/510265234.db2.gz	VGTNZVBGNJQQAK-UHFFFAOYSA-N	0	2	366.266	2.738	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H](c3cc(F)ccc3F)C1)c2=O	ZINC000191536569	510711149	/nfs/dbraw/zinc/71/11/49/510711149.db2.gz	DXSKWZJIXKYSAS-NSHDSACASA-N	0	2	372.375	2.972	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630644834	522983313	/nfs/dbraw/zinc/98/33/13/522983313.db2.gz	CQJFTJARUOJRLU-VUCTXSBTSA-N	0	2	371.437	2.586	10	0		FFAELN
Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630644834	522983320	/nfs/dbraw/zinc/98/33/20/522983320.db2.gz	CQJFTJARUOJRLU-VUCTXSBTSA-N	0	2	371.437	2.586	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630645157	522984858	/nfs/dbraw/zinc/98/48/58/522984858.db2.gz	NQFAKSUMYCDPNH-RBUKOAKNSA-N	0	2	366.417	2.946	10	0		FFAELN
CC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630645157	522984860	/nfs/dbraw/zinc/98/48/60/522984860.db2.gz	NQFAKSUMYCDPNH-RBUKOAKNSA-N	0	2	366.417	2.946	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)F	ZINC000630647721	522987925	/nfs/dbraw/zinc/98/79/25/522987925.db2.gz	CBHDKEICYZQXNE-QEJZJMRPSA-N	0	2	354.397	2.512	10	0		FFAELN
C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)F	ZINC000630647721	522987938	/nfs/dbraw/zinc/98/79/38/522987938.db2.gz	CBHDKEICYZQXNE-QEJZJMRPSA-N	0	2	354.397	2.512	10	0		FFAELN
CC(C)(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630657279	523007824	/nfs/dbraw/zinc/00/78/24/523007824.db2.gz	OQTLMHRIAVDADG-LSDHHAIUSA-N	0	2	373.478	2.612	10	0		FFAELN
CC(C)(NC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630657279	523007832	/nfs/dbraw/zinc/00/78/32/523007832.db2.gz	OQTLMHRIAVDADG-LSDHHAIUSA-N	0	2	373.478	2.612	10	0		FFAELN
CC(NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668642	523027166	/nfs/dbraw/zinc/02/71/66/523027166.db2.gz	XPWQTZCUIIYYJW-ROUUACIJSA-N	0	2	356.466	2.799	10	0		FFAELN
CC(NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)(C1CC1)C1CC1	ZINC000630668642	523027179	/nfs/dbraw/zinc/02/71/79/523027179.db2.gz	XPWQTZCUIIYYJW-ROUUACIJSA-N	0	2	356.466	2.799	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@@H+]1Cc1ccccc1	ZINC000630673319	523036865	/nfs/dbraw/zinc/03/68/65/523036865.db2.gz	OGQJAXOFAIGVKP-XDNAFOTISA-N	0	2	374.506	2.601	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)S3)[N@H+]1Cc1ccccc1	ZINC000630673319	523036874	/nfs/dbraw/zinc/03/68/74/523036874.db2.gz	OGQJAXOFAIGVKP-XDNAFOTISA-N	0	2	374.506	2.601	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(Cl)o2)[N@@H+]1Cc1ccccc1	ZINC000630672664	523037183	/nfs/dbraw/zinc/03/71/83/523037183.db2.gz	NOTCZXNPGIMEME-CABCVRRESA-N	0	2	362.813	2.667	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(Cl)o2)[N@H+]1Cc1ccccc1	ZINC000630672664	523037192	/nfs/dbraw/zinc/03/71/92/523037192.db2.gz	NOTCZXNPGIMEME-CABCVRRESA-N	0	2	362.813	2.667	10	0		FFAELN
Cc1cc(N2CC[C@@H](Nc3nc(-c4cccc(Cl)c4)no3)C2=O)n(C)n1	ZINC000301484326	258052088	/nfs/dbraw/zinc/05/20/88/258052088.db2.gz	YIMYYQLUDCIIIQ-CYBMUJFWSA-N	0	2	372.816	2.649	10	0		FFAELN
COCc1nnc([C@H]2CCCCN2C(=O)c2ccc3c(n2)CCCC3)[nH]1	ZINC000329637879	258143892	/nfs/dbraw/zinc/14/38/92/258143892.db2.gz	YTYKYSIYDHVIOZ-MRXNPFEDSA-N	0	2	355.442	2.592	10	0		FFAELN
O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Cl)c(Cl)c1O	ZINC000112116944	508151964	/nfs/dbraw/zinc/15/19/64/508151964.db2.gz	VXJSPIAGHCBVTI-QMMMGPOBSA-N	0	2	371.142	2.592	10	0		FFAELN
C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)CC1	ZINC000152278855	508414731	/nfs/dbraw/zinc/41/47/31/508414731.db2.gz	MBYMLGMMDSYYKD-HXUWFJFHSA-N	0	2	354.498	2.944	10	0		FFAELN
C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000119271320	508761551	/nfs/dbraw/zinc/76/15/51/508761551.db2.gz	FPIZQZZDKYXTCG-AAEUAGOBSA-N	0	2	354.385	2.831	10	0		FFAELN
CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H]3CCCn4ncnc43)=N2)c1	ZINC000176322640	509444914	/nfs/dbraw/zinc/44/49/14/509444914.db2.gz	AIYIVTPNLAQMEA-OAHLLOKOSA-N	0	2	366.425	2.558	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1C[C@H](c3ccccc3)OCC1(C)C)c2=O	ZINC000179475810	509466021	/nfs/dbraw/zinc/46/60/21/509466021.db2.gz	PMTSLUFEKNILQM-MRXNPFEDSA-N	0	2	366.421	2.666	10	0		FFAELN
Cc1cnn(CCNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)c1	ZINC000173677982	509715184	/nfs/dbraw/zinc/71/51/84/509715184.db2.gz	ZZFKOIFYEZAGGT-UHFFFAOYSA-N	0	2	353.426	2.636	10	0		FFAELN
COc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000630656032	523005516	/nfs/dbraw/zinc/00/55/16/523005516.db2.gz	YTCQAZZNNVQZGH-IRXDYDNUSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000630656032	523005526	/nfs/dbraw/zinc/00/55/26/523005526.db2.gz	YTCQAZZNNVQZGH-IRXDYDNUSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)ccc1F	ZINC000630656031	523005941	/nfs/dbraw/zinc/00/59/41/523005941.db2.gz	YTCQAZZNNVQZGH-IAGOWNOFSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)ccc1F	ZINC000630656031	523005949	/nfs/dbraw/zinc/00/59/49/523005949.db2.gz	YTCQAZZNNVQZGH-IAGOWNOFSA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630663630	523021570	/nfs/dbraw/zinc/02/15/70/523021570.db2.gz	BLVNLPLWSYLNAO-MOPGFXCFSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630663630	523021584	/nfs/dbraw/zinc/02/15/84/523021584.db2.gz	BLVNLPLWSYLNAO-MOPGFXCFSA-N	0	2	368.433	2.776	10	0		FFAELN
O=C([O-])CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1	ZINC000093681058	527569467	/nfs/dbraw/zinc/56/94/67/527569467.db2.gz	HJIVQCFJADZZLU-UHFFFAOYSA-N	0	2	355.232	2.574	10	0		FFAELN
Nc1cc(F)c(S(=O)(=O)Nc2ncc(Br)s2)c(F)c1	ZINC000037928548	211313703	/nfs/dbraw/zinc/31/37/03/211313703.db2.gz	RPXRVFNJBUTWGB-UHFFFAOYSA-N	0	2	370.200	2.567	10	0		FFAELN
O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCc3ccccc3C1)CCC2	ZINC000020342459	211277729	/nfs/dbraw/zinc/27/77/29/211277729.db2.gz	WDRRCLCUIRAIBE-UHFFFAOYSA-N	0	2	356.447	2.932	10	0		FFAELN
O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCc3ccccc3C1)CCC2	ZINC000020342459	211277730	/nfs/dbraw/zinc/27/77/30/211277730.db2.gz	WDRRCLCUIRAIBE-UHFFFAOYSA-N	0	2	356.447	2.932	10	0		FFAELN
Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)c(F)c1	ZINC000105387807	250212083	/nfs/dbraw/zinc/21/20/83/250212083.db2.gz	WVZWWNIGRQOIIV-UHFFFAOYSA-N	0	2	373.409	2.994	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@@H](Cn2cncn2)C1	ZINC000131983451	251035096	/nfs/dbraw/zinc/03/50/96/251035096.db2.gz	AAQAIHOUCJSLPH-SNVBAGLBSA-N	0	2	355.225	2.843	10	0		FFAELN
Cc1csc(N2CCC(C(=O)N=c3nc(C(C)(C)C)[nH]s3)CC2)n1	ZINC000328851186	258122441	/nfs/dbraw/zinc/12/24/41/258122441.db2.gz	UZFWKCMBYINBBS-UHFFFAOYSA-N	0	2	365.528	2.878	10	0		FFAELN
CC(C)Oc1cccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[nH]2)c1	ZINC000034764347	506369633	/nfs/dbraw/zinc/36/96/33/506369633.db2.gz	IQDUAMNVFNYPPN-UHFFFAOYSA-N	0	2	370.453	2.977	10	0		FFAELN
Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(N(C)C)c(Cl)c1	ZINC000109425968	507961986	/nfs/dbraw/zinc/96/19/86/507961986.db2.gz	NTZZMEYTUOWBHN-UHFFFAOYSA-N	0	2	363.270	2.902	10	0		FFAELN
C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)NCc1ccco1	ZINC000106460792	508401168	/nfs/dbraw/zinc/40/11/68/508401168.db2.gz	JIUUIIGWHZHKML-MRVPVSSYSA-N	0	2	357.193	2.727	10	0		FFAELN
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000248637958	509406916	/nfs/dbraw/zinc/40/69/16/509406916.db2.gz	AQHDSZIAUFSMPJ-ZFMNYDKASA-N	0	2	372.557	2.919	10	0		FFAELN
C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000248651300	509417272	/nfs/dbraw/zinc/41/72/72/509417272.db2.gz	MRULKELBNYWTAR-HKUYNNGSSA-N	0	2	352.482	2.863	10	0		FFAELN
Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1	ZINC000176391644	509484484	/nfs/dbraw/zinc/48/44/84/509484484.db2.gz	RVXRWMQJKBUXMF-OAHLLOKOSA-N	0	2	369.400	2.527	10	0		FFAELN
Cc1nc(CN2CCCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)cs1	ZINC000183576842	509868503	/nfs/dbraw/zinc/86/85/03/509868503.db2.gz	IFFKPLGOXWUDSR-UHFFFAOYSA-N	0	2	367.421	2.783	10	0		FFAELN
O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c2ccc(O)cc2o1	ZINC000246278974	510403626	/nfs/dbraw/zinc/40/36/26/510403626.db2.gz	ATZFMRXLTXJTFM-LIRRHRJNSA-N	0	2	354.450	2.947	10	0		FFAELN
O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c2ccc(O)cc2o1	ZINC000246278974	510403629	/nfs/dbraw/zinc/40/36/29/510403629.db2.gz	ATZFMRXLTXJTFM-LIRRHRJNSA-N	0	2	354.450	2.947	10	0		FFAELN
O=c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2ccc(Cl)cn12	ZINC000246576553	510565850	/nfs/dbraw/zinc/56/58/50/510565850.db2.gz	LQLGCTMKIWJHBS-KBXCAEBGSA-N	0	2	372.900	2.797	10	0		FFAELN
O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1O	ZINC000175706794	510745763	/nfs/dbraw/zinc/74/57/63/510745763.db2.gz	HOMDODFDEWJDDN-NSHDSACASA-N	0	2	372.229	2.957	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1CC(=O)c1ccccc1)c2=O	ZINC000182137177	510775296	/nfs/dbraw/zinc/77/52/96/510775296.db2.gz	YGPGTFDDJLMWAC-AWEZNQCLSA-N	0	2	364.405	2.552	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)cc2F)[N@@H+]1Cc1ccccc1	ZINC000630646829	522986013	/nfs/dbraw/zinc/98/60/13/522986013.db2.gz	FPTGYKLVUOVLBI-MSOLQXFVSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)cc2F)[N@H+]1Cc1ccccc1	ZINC000630646829	522986022	/nfs/dbraw/zinc/98/60/22/522986022.db2.gz	FPTGYKLVUOVLBI-MSOLQXFVSA-N	0	2	374.387	2.699	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672660	523035417	/nfs/dbraw/zinc/03/54/17/523035417.db2.gz	NNSVLIFZFMFFSM-KBPBESRZSA-N	0	2	358.360	2.515	10	0		FFAELN
CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672660	523035432	/nfs/dbraw/zinc/03/54/32/523035432.db2.gz	NNSVLIFZFMFFSM-KBPBESRZSA-N	0	2	358.360	2.515	10	0		FFAELN
Cc1nnc2c(NS(=O)(=O)c3ccccc3C(F)(F)F)cccn12	ZINC000065228789	221182535	/nfs/dbraw/zinc/18/25/35/221182535.db2.gz	CPTJNTCCUXEPPC-UHFFFAOYSA-N	0	2	356.329	2.857	10	0		FFAELN
O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1nc(-c2ccccc2F)n[nH]1	ZINC000109625268	507972542	/nfs/dbraw/zinc/97/25/42/507972542.db2.gz	HFSOKQYMULWFPP-GFCCVEGCSA-N	0	2	351.341	2.675	10	0		FFAELN
CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)s1	ZINC000109624697	507972572	/nfs/dbraw/zinc/97/25/72/507972572.db2.gz	CGVFOBUFZHCUOV-UHFFFAOYSA-N	0	2	359.386	2.561	10	0		FFAELN
C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)NCc1ccco1	ZINC000106460789	508401085	/nfs/dbraw/zinc/40/10/85/508401085.db2.gz	JIUUIIGWHZHKML-QMMMGPOBSA-N	0	2	357.193	2.727	10	0		FFAELN
Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)C(C)C	ZINC000176712051	509654574	/nfs/dbraw/zinc/65/45/74/509654574.db2.gz	KDDVJQRYSGBKAF-QGZVFWFLSA-N	0	2	351.410	2.659	10	0		FFAELN
C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000245593713	510026896	/nfs/dbraw/zinc/02/68/96/510026896.db2.gz	HRHNBBBRVDBHSX-VFVRVIDISA-N	0	2	366.421	2.665	10	0		FFAELN
O[C@@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000245771409	510139460	/nfs/dbraw/zinc/13/94/60/510139460.db2.gz	MSVWCISLALZJJZ-IAGOWNOFSA-N	0	2	366.465	2.737	10	0		FFAELN
COC(=O)c1coc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c1	ZINC000190466240	510146826	/nfs/dbraw/zinc/14/68/26/510146826.db2.gz	QWXDPXNHJJRRKD-CQSZACIVSA-N	0	2	363.483	2.785	10	0		FFAELN
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ncc(F)cc3F)C[C@H]12	ZINC000190661697	510269974	/nfs/dbraw/zinc/26/99/74/510269974.db2.gz	XVKIFGODZCXOIM-SCDSUCTJSA-N	0	2	367.396	2.735	10	0		FFAELN
Cc1ccc(N2CCCN(C(=O)c3cc(F)c(O)c(Cl)c3)CC2)nn1	ZINC000184402443	510307267	/nfs/dbraw/zinc/30/72/67/510307267.db2.gz	CGEJIJPRGHIJQO-UHFFFAOYSA-N	0	2	364.808	2.636	10	0		FFAELN
C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000246142008	510317780	/nfs/dbraw/zinc/31/77/80/510317780.db2.gz	NXIMVZXPUBTMLU-MJGOQNOKSA-N	0	2	352.482	2.863	10	0		FFAELN
CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C2	ZINC000247153318	510846319	/nfs/dbraw/zinc/84/63/19/510846319.db2.gz	YOTJMNNQWOYODW-HOTGVXAUSA-N	0	2	361.534	2.732	10	0		FFAELN
CCOc1ccc(Cn2c(=O)c3ccc(C(=O)OC)cc3[nH]c2=S)cc1	ZINC000073660779	521017371	/nfs/dbraw/zinc/01/73/71/521017371.db2.gz	AIDLCPMCBLPULM-UHFFFAOYSA-N	0	2	370.430	2.919	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cccc(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630645143	522983102	/nfs/dbraw/zinc/98/31/02/522983102.db2.gz	NINQAHDZRFKPAN-MSOLQXFVSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cccc(F)c2)[N@H+]1Cc1ccccc1	ZINC000630645143	522983111	/nfs/dbraw/zinc/98/31/11/522983111.db2.gz	NINQAHDZRFKPAN-MSOLQXFVSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)[N@@H+]1Cc1ccccc1	ZINC000630644933	522984999	/nfs/dbraw/zinc/98/49/99/522984999.db2.gz	MWLKJWDZFBFOTM-ZWKOTPCHSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(F)cc2)[N@H+]1Cc1ccccc1	ZINC000630644933	522985006	/nfs/dbraw/zinc/98/50/06/522985006.db2.gz	MWLKJWDZFBFOTM-ZWKOTPCHSA-N	0	2	356.397	2.560	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630667192	523026259	/nfs/dbraw/zinc/02/62/59/523026259.db2.gz	AETINPSKQAIWHF-SJORKVTESA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1ccoc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630667192	523026270	/nfs/dbraw/zinc/02/62/70/523026270.db2.gz	AETINPSKQAIWHF-SJORKVTESA-N	0	2	356.422	2.664	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC(F)(F)C2)[N@@H+]1Cc1ccccc1	ZINC000630671493	523033224	/nfs/dbraw/zinc/03/32/24/523033224.db2.gz	LMPDCZCHFJTMOJ-JYJNAYRXSA-N	0	2	366.408	2.798	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCC(F)(F)C2)[N@H+]1Cc1ccccc1	ZINC000630671493	523033230	/nfs/dbraw/zinc/03/32/30/523033230.db2.gz	LMPDCZCHFJTMOJ-JYJNAYRXSA-N	0	2	366.408	2.798	10	0		FFAELN
CC1(C)Oc2c(c(O)cc3occ(-c4ccc(O)cc4)c(=O)c32)C[C@@H]1O	ZINC000261492825	527815570	/nfs/dbraw/zinc/81/55/70/527815570.db2.gz	HFVFEMFAVPWVDX-INIZCTEOSA-N	0	2	354.358	2.946	10	0		FFAELN
Cc1ccnc(NS(=O)(=O)/C=C\c2cccc(Br)c2)n1	ZINC000588450573	845963855	/nfs/dbraw/zinc/96/38/55/845963855.db2.gz	IVNXQYUAEVUCKF-VURMDHGXSA-N	0	2	354.229	2.960	10	0		FFAELN
Nc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cn1	ZINC000037929270	211315480	/nfs/dbraw/zinc/31/54/80/211315480.db2.gz	PPZHALWIJVSONE-UHFFFAOYSA-N	0	2	362.636	2.881	10	0		FFAELN
Nc1cc(Br)ccc1S(=O)(=O)Nc1ccc(Cl)cn1	ZINC000037064195	211001765	/nfs/dbraw/zinc/00/17/65/211001765.db2.gz	ZQDOCGUWESBLGM-UHFFFAOYSA-N	0	2	362.636	2.881	10	0		FFAELN
Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000329172831	258131376	/nfs/dbraw/zinc/13/13/76/258131376.db2.gz	LCZWWHDKHDTSCZ-GFCCVEGCSA-N	0	2	370.438	2.705	10	0		FFAELN
Cn1c2ccc(Cl)cc2nc1NS(=O)(=O)c1ccc2c(c1)CCO2	ZINC000107036968	507832528	/nfs/dbraw/zinc/83/25/28/507832528.db2.gz	COQLFNSFPINSBP-UHFFFAOYSA-N	0	2	363.826	2.962	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)=N1	ZINC000119605745	508827185	/nfs/dbraw/zinc/82/71/85/508827185.db2.gz	FGTWJWIHXMEKJH-VBKZILBWSA-N	0	2	373.428	2.793	10	0		FFAELN
CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2F)C1	ZINC000155226161	508952313	/nfs/dbraw/zinc/95/23/13/508952313.db2.gz	XYSHBLFMWCSPOM-ROUUACIJSA-N	0	2	361.461	2.799	10	0		FFAELN
CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000248649123	509415265	/nfs/dbraw/zinc/41/52/65/509415265.db2.gz	KPOHVLJMLIYHOP-XIRDDKMYSA-N	0	2	366.575	2.899	10	0		FFAELN
Cc1cnn(CCNC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)c1	ZINC000176299492	509430286	/nfs/dbraw/zinc/43/02/86/509430286.db2.gz	AIVJLKKFHPDGIJ-UHFFFAOYSA-N	0	2	353.426	2.636	10	0		FFAELN
CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2O)cn1	ZINC000179433240	509440671	/nfs/dbraw/zinc/44/06/71/509440671.db2.gz	JSVMTTSROMVYMW-UHFFFAOYSA-N	0	2	361.206	2.750	10	0		FFAELN
COc1cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)ccc1F	ZINC000190661764	510268881	/nfs/dbraw/zinc/26/88/81/510268881.db2.gz	FVZLFYKYXRPSCU-NSHDSACASA-N	0	2	356.444	2.859	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630642785	522982001	/nfs/dbraw/zinc/98/20/01/522982001.db2.gz	BLPAQRINRIGUBH-ZWKOTPCHSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630642785	522982005	/nfs/dbraw/zinc/98/20/05/522982005.db2.gz	BLPAQRINRIGUBH-ZWKOTPCHSA-N	0	2	354.406	2.752	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)n1	ZINC000630649724	522992565	/nfs/dbraw/zinc/99/25/65/522992565.db2.gz	VEIOSOSOGBKEPS-IMJJTQAJSA-N	0	2	373.478	2.747	10	0		FFAELN
Cc1csc([C@H](C)NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)n1	ZINC000630649724	522992577	/nfs/dbraw/zinc/99/25/77/522992577.db2.gz	VEIOSOSOGBKEPS-IMJJTQAJSA-N	0	2	373.478	2.747	10	0		FFAELN
CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2c(O)cc(F)cc2F)CC1	ZINC000101669233	508253388	/nfs/dbraw/zinc/25/33/88/508253388.db2.gz	MZKCUIOKNIZEEF-NSHDSACASA-N	0	2	354.397	2.683	10	0		FFAELN
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1	ZINC000248637949	509406033	/nfs/dbraw/zinc/40/60/33/509406033.db2.gz	AQHDSZIAUFSMPJ-JYRKZWEQSA-N	0	2	372.557	2.919	10	0		FFAELN
C[C@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000248651302	509418674	/nfs/dbraw/zinc/41/86/74/509418674.db2.gz	MRULKELBNYWTAR-MJGOQNOKSA-N	0	2	352.482	2.863	10	0		FFAELN
COc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1Cl	ZINC000182887487	509477728	/nfs/dbraw/zinc/47/77/28/509477728.db2.gz	DCPZEOARNPGRRW-QGZVFWFLSA-N	0	2	351.922	2.951	10	0		FFAELN
CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nc3ccccc3n2C)nc[nH+]1	ZINC000180166083	509789464	/nfs/dbraw/zinc/78/94/64/509789464.db2.gz	CIBKVNPLWSGOND-GJZGRUSLSA-N	0	2	365.485	2.725	10	0		FFAELN
O=C(c1ccc(Cl)c(Cl)c1O)N1CCN(Cc2ccon2)CC1	ZINC000174498207	510142488	/nfs/dbraw/zinc/14/24/88/510142488.db2.gz	ADSRSHAACBLTLY-UHFFFAOYSA-N	0	2	356.209	2.645	10	0		FFAELN
O=C(Nc1ccc2nn[nH]c2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1	ZINC000177853674	510289738	/nfs/dbraw/zinc/28/97/38/510289738.db2.gz	AWEICPXLZIQETA-UHFFFAOYSA-N	0	2	367.384	2.588	10	0		FFAELN
Cc1cc(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)[nH]c2nc(=O)[nH]c(=O)c1-2	ZINC000178805750	510782344	/nfs/dbraw/zinc/78/23/44/510782344.db2.gz	NOYCASFAMPFPCO-HZMBPMFUSA-N	0	2	364.405	2.701	10	0		FFAELN
Cc1csc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)c1	ZINC000630650666	522993593	/nfs/dbraw/zinc/99/35/93/522993593.db2.gz	QDRWPHIRASKWEY-DLBZAZTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1csc(CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)c1	ZINC000630650666	522993601	/nfs/dbraw/zinc/99/36/01/522993601.db2.gz	QDRWPHIRASKWEY-DLBZAZTESA-N	0	2	358.463	2.791	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc3c2CCO3)[N@@H+]1Cc1ccccc1	ZINC000630652353	522996603	/nfs/dbraw/zinc/99/66/03/522996603.db2.gz	QLEOMOJASPQBHO-MSOLQXFVSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc3c2CCO3)[N@H+]1Cc1ccccc1	ZINC000630652353	522996607	/nfs/dbraw/zinc/99/66/07/522996607.db2.gz	QLEOMOJASPQBHO-MSOLQXFVSA-N	0	2	366.417	2.678	10	0		FFAELN
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c(OC)c(O)c1OC	ZINC000004716512	210178693	/nfs/dbraw/zinc/17/86/93/210178693.db2.gz	IFWCMOJROJGCTG-UHFFFAOYSA-N	0	2	360.318	2.603	10	0		FFAELN
COc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)c(OC)c(O)c1OC	ZINC000004716512	210178698	/nfs/dbraw/zinc/17/86/98/210178698.db2.gz	IFWCMOJROJGCTG-UHFFFAOYSA-N	0	2	360.318	2.603	10	0		FFAELN
O=c1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)[nH]c2ccsc21	ZINC000121488603	509176580	/nfs/dbraw/zinc/17/65/80/509176580.db2.gz	QZYMMWZYKXVVPN-YGRLFVJLSA-N	0	2	363.389	2.571	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC(Cc3ccccc3)CC1)c2=O	ZINC000179382434	509412748	/nfs/dbraw/zinc/41/27/48/509412748.db2.gz	YCSYJMZMOQKRES-UHFFFAOYSA-N	0	2	350.422	2.769	10	0		FFAELN
O=C(c1c(O)cnc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	ZINC000179474115	509464575	/nfs/dbraw/zinc/46/45/75/509464575.db2.gz	IQSVNBGTBCWPDT-CYBMUJFWSA-N	0	2	363.421	2.956	10	0		FFAELN
CCc1nc2c(s1)[C@@H](N(C)C(=O)c1c[nH]c3c(cnn3C)c1=O)CCC2	ZINC000179547085	509503999	/nfs/dbraw/zinc/50/39/99/509503999.db2.gz	ISMNCAGTTDIEES-ZDUSSCGKSA-N	0	2	371.466	2.842	10	0		FFAELN
CCOC(=O)[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1	ZINC000192990671	509728155	/nfs/dbraw/zinc/72/81/55/509728155.db2.gz	MGZXXWBOIFNBKW-CYBMUJFWSA-N	0	2	372.830	2.528	10	0		FFAELN
O=C(N[C@@H]1CN(Cc2ccon2)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F	ZINC000245548890	509997311	/nfs/dbraw/zinc/99/73/11/509997311.db2.gz	NTDOXBGKCVWDGJ-HUUCEWRRSA-N	0	2	371.334	2.850	10	0		FFAELN
O=C(c1cc(F)c(F)c(O)c1F)N1CCC(Nc2nccs2)CC1	ZINC000190397855	510108827	/nfs/dbraw/zinc/10/88/27/510108827.db2.gz	WCMFJWAWFRWFKR-UHFFFAOYSA-N	0	2	357.357	2.983	10	0		FFAELN
CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)CC2	ZINC000194513990	510403047	/nfs/dbraw/zinc/40/30/47/510403047.db2.gz	LWINURWYIHIDPY-SNVBAGLBSA-N	0	2	352.797	2.644	10	0		FFAELN
COc1cccc(C2CCN(C(=O)c3c[nH]c4c(cnn4C)c3=O)CC2)c1	ZINC000181884221	510642211	/nfs/dbraw/zinc/64/22/11/510642211.db2.gz	VAKMTZXNOSOZQG-UHFFFAOYSA-N	0	2	366.421	2.702	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)c(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630644040	522983496	/nfs/dbraw/zinc/98/34/96/522983496.db2.gz	ANRPYQQQFWEQTD-ROUUACIJSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NCc2ccc(F)c(F)c2)[N@H+]1Cc1ccccc1	ZINC000630644040	522983505	/nfs/dbraw/zinc/98/35/05/522983505.db2.gz	ANRPYQQQFWEQTD-ROUUACIJSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(F)c(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630644044	522984240	/nfs/dbraw/zinc/98/42/40/522984240.db2.gz	ANRPYQQQFWEQTD-ZWKOTPCHSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccc(F)c(F)c2)[N@H+]1Cc1ccccc1	ZINC000630644044	522984272	/nfs/dbraw/zinc/98/42/72/522984272.db2.gz	ANRPYQQQFWEQTD-ZWKOTPCHSA-N	0	2	374.387	2.699	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648219	522990544	/nfs/dbraw/zinc/99/05/44/522990544.db2.gz	FEESLXKAJPVOMN-NWANDNLSSA-N	0	2	372.387	2.809	10	0		FFAELN
C[C@H](CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)CC(F)(F)F	ZINC000630648219	522990550	/nfs/dbraw/zinc/99/05/50/522990550.db2.gz	FEESLXKAJPVOMN-NWANDNLSSA-N	0	2	372.387	2.809	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCC(C2CC2)C2CC2)[N@@H+]1Cc1ccccc1	ZINC000630661333	523014774	/nfs/dbraw/zinc/01/47/74/523014774.db2.gz	QQEFNMDQZADLFR-RBUKOAKNSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCC(C2CC2)C2CC2)[N@H+]1Cc1ccccc1	ZINC000630661333	523014786	/nfs/dbraw/zinc/01/47/86/523014786.db2.gz	QQEFNMDQZADLFR-RBUKOAKNSA-N	0	2	356.466	2.657	10	0		FFAELN
COc1ccc(-n2[nH]c(-c3cnc(N4CCCCC4)nc3C)cc2=O)cc1	ZINC000072465171	536551283	/nfs/dbraw/zinc/55/12/83/536551283.db2.gz	OUOLQIKSSGLZSJ-UHFFFAOYSA-N	0	2	365.437	2.930	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C(=O)[O-]	ZINC000008698765	506662783	/nfs/dbraw/zinc/66/27/83/506662783.db2.gz	LOOJQFZOPIXQDP-AWEZNQCLSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1C(=O)[O-]	ZINC000008698765	506662785	/nfs/dbraw/zinc/66/27/85/506662785.db2.gz	LOOJQFZOPIXQDP-AWEZNQCLSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(=O)Nc1ccc(CCNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc1	ZINC000103531207	508317739	/nfs/dbraw/zinc/31/77/39/508317739.db2.gz	XVMCOKMQFZQLAJ-UHFFFAOYSA-N	0	2	364.405	2.575	10	0		FFAELN
CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1	ZINC000133715479	508439171	/nfs/dbraw/zinc/43/91/71/508439171.db2.gz	SYSXQXUBDCTDFF-SNVBAGLBSA-N	0	2	352.797	2.816	10	0		FFAELN
Cc1ccc([C@H]2CN(C(=O)c3c[nH]c4nc(C)ccc4c3=O)CCO2)o1	ZINC000154276542	508750555	/nfs/dbraw/zinc/75/05/55/508750555.db2.gz	GSVWEICXFUGXIS-MRXNPFEDSA-N	0	2	353.378	2.759	10	0		FFAELN
C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)Cc1nc(=O)c2sccc2[nH]1	ZINC000131506342	508942152	/nfs/dbraw/zinc/94/21/52/508942152.db2.gz	GHGISRQEKGMMRG-QWHCGFSZSA-N	0	2	370.478	2.682	10	0		FFAELN
Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1	ZINC000182893599	509480898	/nfs/dbraw/zinc/48/08/98/509480898.db2.gz	NYYMXTDSXKJNQR-CTNGQTDRSA-N	0	2	372.557	2.732	10	0		FFAELN
CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(Cl)c2O)C1	ZINC000190003632	509879467	/nfs/dbraw/zinc/87/94/67/509879467.db2.gz	MARXTUPAWAUUJN-KWQFWETISA-N	0	2	372.208	2.993	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccc(OC)cc3C)sc2C1	ZINC000171146954	509968602	/nfs/dbraw/zinc/96/86/02/509968602.db2.gz	LOWWOUAMBJYOLU-UHFFFAOYSA-N	0	2	367.496	2.639	10	0		FFAELN
COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1	ZINC000245806933	510150911	/nfs/dbraw/zinc/15/09/11/510150911.db2.gz	YRMIKEOIHRDKFU-QAPCUYQASA-N	0	2	357.454	2.796	10	0		FFAELN
CCOC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1	ZINC000190475381	510152129	/nfs/dbraw/zinc/15/21/29/510152129.db2.gz	SQOGQTCHYFYIQV-QGZVFWFLSA-N	0	2	357.454	2.805	10	0		FFAELN
O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCc2ccccc2C1	ZINC000246985990	510783294	/nfs/dbraw/zinc/78/32/94/510783294.db2.gz	WDMIVZHWSAAUGP-FPOVZHCZSA-N	0	2	353.510	2.520	10	0		FFAELN
Cc1[nH+]c2ccccc2c(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1C	ZINC000333605598	511298814	/nfs/dbraw/zinc/29/88/14/511298814.db2.gz	XEGNEAZTJXJEMW-UHFFFAOYSA-N	0	2	362.481	2.930	10	0		FFAELN
C[C@@H](NC(=O)Nc1ccc(Br)cc1)c1[nH+]ccn1CC(=O)[O-]	ZINC000584616855	518414944	/nfs/dbraw/zinc/41/49/44/518414944.db2.gz	ACZBQUUXTHUCDS-SECBINFHSA-N	0	2	367.203	2.613	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000630647626	522988725	/nfs/dbraw/zinc/98/87/25/522988725.db2.gz	LQGASKMHCWDKTQ-DLBZAZTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000630647626	522988732	/nfs/dbraw/zinc/98/87/32/522988732.db2.gz	LQGASKMHCWDKTQ-DLBZAZTESA-N	0	2	372.396	2.891	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630663427	523021725	/nfs/dbraw/zinc/02/17/25/523021725.db2.gz	AVFLAZWWYBPCKQ-KURKYZTESA-N	0	2	374.481	2.520	10	0		FFAELN
CC[C@@H]1COC(C)(C)CN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630663427	523021731	/nfs/dbraw/zinc/02/17/31/523021731.db2.gz	AVFLAZWWYBPCKQ-KURKYZTESA-N	0	2	374.481	2.520	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630668189	523028653	/nfs/dbraw/zinc/02/86/53/523028653.db2.gz	GOZLAWHNABUTGE-MSOLQXFVSA-N	0	2	356.422	2.664	10	0		FFAELN
Cc1occc1CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630668189	523028658	/nfs/dbraw/zinc/02/86/58/523028658.db2.gz	GOZLAWHNABUTGE-MSOLQXFVSA-N	0	2	356.422	2.664	10	0		FFAELN
O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1nc(-c2ccccc2F)n[nH]1	ZINC000109625273	507972341	/nfs/dbraw/zinc/97/23/41/507972341.db2.gz	HFSOKQYMULWFPP-LBPRGKRZSA-N	0	2	351.341	2.675	10	0		FFAELN
O[C@H](COc1cccc2[nH]ccc21)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000158915571	508768454	/nfs/dbraw/zinc/76/84/54/508768454.db2.gz	MSVWCISLALZJJZ-SJORKVTESA-N	0	2	366.465	2.737	10	0		FFAELN
Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1	ZINC000182893621	509479926	/nfs/dbraw/zinc/47/99/26/509479926.db2.gz	NYYMXTDSXKJNQR-FPOVZHCZSA-N	0	2	372.557	2.732	10	0		FFAELN
O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000189244365	509481173	/nfs/dbraw/zinc/48/11/73/509481173.db2.gz	JRWWDRFRQGIYBM-UHFFFAOYSA-N	0	2	364.808	2.748	10	0		FFAELN
Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)NCCc2nc3ccccc3s2)cn1	ZINC000173313815	509525438	/nfs/dbraw/zinc/52/54/38/509525438.db2.gz	MIPDQDQAGMFWBR-INIZCTEOSA-N	0	2	369.494	2.526	10	0		FFAELN
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2nn[nH]c2c1	ZINC000176733723	509664209	/nfs/dbraw/zinc/66/42/09/509664209.db2.gz	SCMDVUUJCDVCDA-PXAZEXFGSA-N	0	2	351.410	2.741	10	0		FFAELN
CCc1nn(C)c(OC)c1CNC(=O)c1ccc(Cl)c(Cl)c1O	ZINC000180282045	509848727	/nfs/dbraw/zinc/84/87/27/509848727.db2.gz	QDMNQMJNRSYFGB-UHFFFAOYSA-N	0	2	358.225	2.934	10	0		FFAELN
C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1	ZINC000190477330	510154566	/nfs/dbraw/zinc/15/45/66/510154566.db2.gz	TVQGVUCUCQIEFS-GOSISDBHSA-N	0	2	362.481	2.821	10	0		FFAELN
CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCOc2ccccc21	ZINC000193975512	510157384	/nfs/dbraw/zinc/15/73/84/510157384.db2.gz	QWXZINDIXFGUQG-LBPRGKRZSA-N	0	2	370.434	2.650	10	0		FFAELN
CC[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3c(F)cccc3F)sc2C1	ZINC000194543795	510416140	/nfs/dbraw/zinc/41/61/40/510416140.db2.gz	UMKMWKNZOYTYOM-UHFFFAOYSA-N	0	2	373.450	2.741	10	0		FFAELN
CC[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3c(F)cccc3F)sc2C1	ZINC000194543795	510416145	/nfs/dbraw/zinc/41/61/45/510416145.db2.gz	UMKMWKNZOYTYOM-UHFFFAOYSA-N	0	2	373.450	2.741	10	0		FFAELN
O=C1O[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CN1c1ccccc1	ZINC000246857617	510713943	/nfs/dbraw/zinc/71/39/43/510713943.db2.gz	PLNBYLXMHRNZQT-PWIZWCRZSA-N	0	2	355.482	2.961	10	0		FFAELN
CN(C)C(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)C(C)(C)C1	ZINC000408410372	513061795	/nfs/dbraw/zinc/06/17/95/513061795.db2.gz	PBOBKFRAHKUGAC-UHFFFAOYSA-N	0	2	374.268	2.917	10	0		FFAELN
O=C([O-])c1cn2cc(C(F)(F)F)cc(I)c2[nH+]1	ZINC000616569438	520070344	/nfs/dbraw/zinc/07/03/44/520070344.db2.gz	SLGLQMXEGYTCEK-UHFFFAOYSA-N	0	2	356.041	2.656	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630642784	522981535	/nfs/dbraw/zinc/98/15/35/522981535.db2.gz	BLPAQRINRIGUBH-ROUUACIJSA-N	0	2	354.406	2.752	10	0		FFAELN
COc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630642784	522981541	/nfs/dbraw/zinc/98/15/41/522981541.db2.gz	BLPAQRINRIGUBH-ROUUACIJSA-N	0	2	354.406	2.752	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630645147	522983803	/nfs/dbraw/zinc/98/38/03/522983803.db2.gz	NINQAHDZRFKPAN-ZWKOTPCHSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2cccc(F)c2)[N@H+]1Cc1ccccc1	ZINC000630645147	522983810	/nfs/dbraw/zinc/98/38/10/522983810.db2.gz	NINQAHDZRFKPAN-ZWKOTPCHSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)[N@@H+]1Cc1ccccc1	ZINC000630643946	522984913	/nfs/dbraw/zinc/98/49/13/522984913.db2.gz	IJMRDRQPUUPXFV-ZWKOTPCHSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)CCO3)[N@H+]1Cc1ccccc1	ZINC000630643946	522984923	/nfs/dbraw/zinc/98/49/23/522984923.db2.gz	IJMRDRQPUUPXFV-ZWKOTPCHSA-N	0	2	366.417	2.678	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2cc(F)ccc2F)[N@@H+]1Cc1ccccc1	ZINC000630644490	522984944	/nfs/dbraw/zinc/98/49/44/522984944.db2.gz	BLWYCICRTGAVQX-ZWKOTPCHSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2cc(F)ccc2F)[N@H+]1Cc1ccccc1	ZINC000630644490	522984955	/nfs/dbraw/zinc/98/49/55/522984955.db2.gz	BLWYCICRTGAVQX-ZWKOTPCHSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccccc2F)[N@@H+]1Cc1ccccc1	ZINC000630646553	522985639	/nfs/dbraw/zinc/98/56/39/522985639.db2.gz	XCXJXNKTVJVDBD-ZWKOTPCHSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NCc2ccccc2F)[N@H+]1Cc1ccccc1	ZINC000630646553	522985653	/nfs/dbraw/zinc/98/56/53/522985653.db2.gz	XCXJXNKTVJVDBD-ZWKOTPCHSA-N	0	2	356.397	2.560	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC23CC3)[N@@H+]1Cc1ccccc1	ZINC000630650731	522991201	/nfs/dbraw/zinc/99/12/01/522991201.db2.gz	PSECWTYGRMDBNT-KSZLIROESA-N	0	2	356.466	2.801	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCC23CC3)[N@H+]1Cc1ccccc1	ZINC000630650731	522991220	/nfs/dbraw/zinc/99/12/20/522991220.db2.gz	PSECWTYGRMDBNT-KSZLIROESA-N	0	2	356.466	2.801	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630649952	522993475	/nfs/dbraw/zinc/99/34/75/522993475.db2.gz	MQJHDAAQGFSVSD-QZTJIDSGSA-N	0	2	354.406	2.757	10	0		FFAELN
Cc1ccc(O)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630649952	522993485	/nfs/dbraw/zinc/99/34/85/522993485.db2.gz	MQJHDAAQGFSVSD-QZTJIDSGSA-N	0	2	354.406	2.757	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC2CCC3(CC3)CC2)[N@@H+]1Cc1ccccc1	ZINC000630672118	523034022	/nfs/dbraw/zinc/03/40/22/523034022.db2.gz	NGMAAHSIQFJHAX-ROUUACIJSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC2CCC3(CC3)CC2)[N@H+]1Cc1ccccc1	ZINC000630672118	523034028	/nfs/dbraw/zinc/03/40/28/523034028.db2.gz	NGMAAHSIQFJHAX-ROUUACIJSA-N	0	2	356.466	2.943	10	0		FFAELN
CCO[C@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C12CCOCC2	ZINC000192503699	251278926	/nfs/dbraw/zinc/27/89/26/251278926.db2.gz	IDMSYGLIYOCAFQ-KBPBESRZSA-N	0	2	357.809	2.889	10	0		FFAELN
CN(C)c1cccc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C	ZINC000100817530	222254508	/nfs/dbraw/zinc/25/45/08/222254508.db2.gz	FTUOUTZGRCMBRX-UHFFFAOYSA-N	0	2	351.406	2.587	10	0		FFAELN
COc1ccc(Cc2c(O)n(-c3ccccc3Cl)c(=O)[nH]c2=O)cc1	ZINC000004602969	506384859	/nfs/dbraw/zinc/38/48/59/506384859.db2.gz	ZPANUEXREQGVDH-ZDUSSCGKSA-N	0	2	358.781	2.790	10	0		FFAELN
Cc1ccc(N2CCCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)nn1	ZINC000133215374	509133014	/nfs/dbraw/zinc/13/30/14/509133014.db2.gz	CEEITHVQJVCFCK-UHFFFAOYSA-N	0	2	364.808	2.636	10	0		FFAELN
CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)C(C)C)c(F)c1Cl	ZINC000172969065	509327456	/nfs/dbraw/zinc/32/74/56/509327456.db2.gz	MEYLYZLKXWBREB-SSDOTTSWSA-N	0	2	354.806	2.899	10	0		FFAELN
Cn1cc([C@H]2CCC[N@@H+]2CC(=O)NCCc2nc3ccccc3s2)cn1	ZINC000173313831	509524293	/nfs/dbraw/zinc/52/42/93/509524293.db2.gz	MIPDQDQAGMFWBR-MRXNPFEDSA-N	0	2	369.494	2.526	10	0		FFAELN
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(N)=O)cs2)C1	ZINC000190462938	510145448	/nfs/dbraw/zinc/14/54/48/510145448.db2.gz	ULNCNUIDFRYQPB-CYBMUJFWSA-N	0	2	364.540	2.566	10	0		FFAELN
Cn1cc([C@H]2CCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cn1	ZINC000194032661	510184278	/nfs/dbraw/zinc/18/42/78/510184278.db2.gz	BIDCQUDMKZIUKE-OAHLLOKOSA-N	0	2	371.828	2.942	10	0		FFAELN
CN(C(=O)c1cc(F)c(O)c(Cl)c1)[C@H]1CCCN(c2cccnn2)C1	ZINC000194732068	510499969	/nfs/dbraw/zinc/49/99/69/510499969.db2.gz	TURJDKSHHQPNKL-LBPRGKRZSA-N	0	2	364.808	2.716	10	0		FFAELN
O=C(c1cc(Br)cc(Cl)c1O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000408410835	513061831	/nfs/dbraw/zinc/06/18/31/513061831.db2.gz	ZZHIXIZIRAICMR-VIRWGQHYSA-N	0	2	360.635	2.651	10	0		FFAELN
O=C(N=c1[n-]nc(/C=C\c2ccco2)s1)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000588387714	518787965	/nfs/dbraw/zinc/78/79/65/518787965.db2.gz	ONXLGQFJLGEZKI-CFHLNLSMSA-N	0	2	370.438	3.195	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984125	520574482	/nfs/dbraw/zinc/57/44/82/520574482.db2.gz	OGKCKZSMWLDHGB-BRWVUGGUSA-N	0	2	364.511	2.704	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984125	520574487	/nfs/dbraw/zinc/57/44/87/520574487.db2.gz	OGKCKZSMWLDHGB-BRWVUGGUSA-N	0	2	364.511	2.704	10	0		FFAELN
C[C@]1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCCS1	ZINC000630644952	522983922	/nfs/dbraw/zinc/98/39/22/522983922.db2.gz	DGUZPDGSZTXAKN-GPMSIDNRSA-N	0	2	362.495	2.506	10	0		FFAELN
C[C@]1(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCCS1	ZINC000630644952	522983935	/nfs/dbraw/zinc/98/39/35/522983935.db2.gz	DGUZPDGSZTXAKN-GPMSIDNRSA-N	0	2	362.495	2.506	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630658748	523009112	/nfs/dbraw/zinc/00/91/12/523009112.db2.gz	OSGZGFASXCSWNJ-GJZGRUSLSA-N	0	2	354.397	2.608	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630658748	523009120	/nfs/dbraw/zinc/00/91/20/523009120.db2.gz	OSGZGFASXCSWNJ-GJZGRUSLSA-N	0	2	354.397	2.608	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630660450	523010285	/nfs/dbraw/zinc/01/02/85/523010285.db2.gz	VLUKFSYVDBIREU-HZPDHXFCSA-N	0	2	373.478	2.528	10	0		FFAELN
Cc1ncsc1CN(C)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630660450	523010291	/nfs/dbraw/zinc/01/02/91/523010291.db2.gz	VLUKFSYVDBIREU-HZPDHXFCSA-N	0	2	373.478	2.528	10	0		FFAELN
COc1cc(=O)c2c(O)c(OC)c(-c3cc(O)c(OC)cc3O)oc-2c1	ZINC000006483503	560205883	/nfs/dbraw/zinc/20/58/83/560205883.db2.gz	KGJTXYKKHKRNIM-UHFFFAOYSA-N	0	2	360.318	2.603	10	0	biogenic,in-vitro	FFAELN
O=C(O)c1cn(Cc2ccc(N3CCCC3=O)cc2)c2ccccc2c1=O	ZINC000070460651	221332704	/nfs/dbraw/zinc/33/27/04/221332704.db2.gz	YUYPQRDTKFFHSF-UHFFFAOYSA-N	0	2	362.385	2.875	10	0		FFAELN
C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000047940245	507421184	/nfs/dbraw/zinc/42/11/84/507421184.db2.gz	ZKPHYTXQSLAUHP-OLZOCXBDSA-N	0	2	357.435	2.603	10	0		FFAELN
O=C(N[C@H]1CCOc2ccccc21)C1=NN(c2ccc(F)cc2)CC1=O	ZINC000084382508	508276227	/nfs/dbraw/zinc/27/62/27/508276227.db2.gz	GZIOPBARSLIQPR-HNNXBMFYSA-N	0	2	353.353	2.971	10	0		FFAELN
CCOC(=O)[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)cc1	ZINC000192990681	509728270	/nfs/dbraw/zinc/72/82/70/509728270.db2.gz	MGZXXWBOIFNBKW-ZDUSSCGKSA-N	0	2	372.830	2.528	10	0		FFAELN
O=C(c1cc(F)c(O)c(Cl)c1)N1CCC(Nc2cccnn2)CC1	ZINC000184410812	510310717	/nfs/dbraw/zinc/31/07/17/510310717.db2.gz	BPBADYFRKVVQPU-UHFFFAOYSA-N	0	2	350.781	2.691	10	0		FFAELN
C[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1nc(-c2ccccc2)no1	ZINC000184765106	510506852	/nfs/dbraw/zinc/50/68/52/510506852.db2.gz	CTKSYLCSLLCXFD-ZJUUUORDSA-N	0	2	363.361	2.710	10	0		FFAELN
Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630645540	522986217	/nfs/dbraw/zinc/98/62/17/522986217.db2.gz	PURMAQQAARPRHF-IRXDYDNUSA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630645540	522986226	/nfs/dbraw/zinc/98/62/26/522986226.db2.gz	PURMAQQAARPRHF-IRXDYDNUSA-N	0	2	358.463	2.791	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCC2(F)F)[N@@H+]1Cc1ccccc1	ZINC000630653195	523000302	/nfs/dbraw/zinc/00/03/02/523000302.db2.gz	UJUIGMSPPRJGFA-PMPSAXMXSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCCC2(F)F)[N@H+]1Cc1ccccc1	ZINC000630653195	523000311	/nfs/dbraw/zinc/00/03/11/523000311.db2.gz	UJUIGMSPPRJGFA-PMPSAXMXSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(C2CC2)C2CC2)[N@@H+]1Cc1ccccc1	ZINC000630661331	523015722	/nfs/dbraw/zinc/01/57/22/523015722.db2.gz	QQEFNMDQZADLFR-MOPGFXCFSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(C2CC2)C2CC2)[N@H+]1Cc1ccccc1	ZINC000630661331	523015727	/nfs/dbraw/zinc/01/57/27/523015727.db2.gz	QQEFNMDQZADLFR-MOPGFXCFSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC(F)(F)C2)[N@@H+]1Cc1ccccc1	ZINC000630671496	523034242	/nfs/dbraw/zinc/03/42/42/523034242.db2.gz	LMPDCZCHFJTMOJ-XHSDSOJGSA-N	0	2	366.408	2.798	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCCC(F)(F)C2)[N@H+]1Cc1ccccc1	ZINC000630671496	523034247	/nfs/dbraw/zinc/03/42/47/523034247.db2.gz	LMPDCZCHFJTMOJ-XHSDSOJGSA-N	0	2	366.408	2.798	10	0		FFAELN
COc1ccc(N2CC(=O)C(C(=O)N3CCCC[C@H]3c3cn[nH]c3)=N2)cc1	ZINC000181083185	251238576	/nfs/dbraw/zinc/23/85/76/251238576.db2.gz	LDGCPIGVANMLNI-INIZCTEOSA-N	0	2	367.409	2.677	10	0		FFAELN
CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)N3CCCC3)c(=O)[nH]2)cc1	ZINC000034763592	506369609	/nfs/dbraw/zinc/36/96/09/506369609.db2.gz	IRHBRFKXNGNWCE-AWEZNQCLSA-N	0	2	370.453	2.977	10	0		FFAELN
Cc1cnn([C@H]2CCCN(C(=O)c3c[nH]c4nc(C)ccc4c3=O)C2)c1	ZINC000107353265	507846057	/nfs/dbraw/zinc/84/60/57/507846057.db2.gz	VCLZZEBJGCSASQ-AWEZNQCLSA-N	0	2	351.410	2.626	10	0		FFAELN
C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(S(C)(=O)=O)cc1	ZINC000127357585	508437874	/nfs/dbraw/zinc/43/78/74/508437874.db2.gz	GGDYXIPSYDMPOJ-SECBINFHSA-N	0	2	355.362	2.565	10	0		FFAELN
COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc3ccccc3C1)CC2	ZINC000151777565	509081131	/nfs/dbraw/zinc/08/11/31/509081131.db2.gz	YFMNXXSFBXUVCT-UGKGYDQZSA-N	0	2	352.478	2.691	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3ccccc3Cl)sc2C1	ZINC000121495526	509176886	/nfs/dbraw/zinc/17/68/86/509176886.db2.gz	DETBTZJPCDHULN-UHFFFAOYSA-N	0	2	357.888	2.975	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC(COc3ccccc3)CC1)c2=O	ZINC000179482031	509469983	/nfs/dbraw/zinc/46/99/83/509469983.db2.gz	YYYPXQJLZFPGHB-UHFFFAOYSA-N	0	2	366.421	2.605	10	0		FFAELN
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(N(C)CCOC)nc2)C1	ZINC000191343893	510615233	/nfs/dbraw/zinc/61/52/33/510615233.db2.gz	FMXWZJNBRJFQJH-SFHVURJKSA-N	0	2	357.502	2.760	10	0		FFAELN
CCn1c(=O)c2ccc(C(=O)N[C@H]3COc4ccccc43)cc2[nH]c1=S	ZINC000195014423	510632417	/nfs/dbraw/zinc/63/24/17/510632417.db2.gz	QXLAXIOQQODTCM-HNNXBMFYSA-N	0	2	367.430	2.569	10	0		FFAELN
O=C(c1cc(F)c(O)c(Cl)c1)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000408409145	513061936	/nfs/dbraw/zinc/06/19/36/513061936.db2.gz	UGLXEIUGSGCMBU-DFBGVHRSSA-N	0	2	357.809	2.577	10	0		FFAELN
Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)c2ccc(Cl)c(Cl)c2O)n1	ZINC000408412640	513063055	/nfs/dbraw/zinc/06/30/55/513063055.db2.gz	CWMUWRLMOQRVFL-KRTXAFLBSA-N	0	2	372.208	2.993	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cc(F)ccc2F)[N@@H+]1Cc1ccccc1	ZINC000630644488	522983851	/nfs/dbraw/zinc/98/38/51/522983851.db2.gz	BLWYCICRTGAVQX-QZTJIDSGSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@H]1CC[C@H](C(=O)NCc2cc(F)ccc2F)[N@H+]1Cc1ccccc1	ZINC000630644488	522983858	/nfs/dbraw/zinc/98/38/58/522983858.db2.gz	BLWYCICRTGAVQX-QZTJIDSGSA-N	0	2	374.387	2.699	10	0		FFAELN
Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)s1	ZINC000630645541	522986176	/nfs/dbraw/zinc/98/61/76/522986176.db2.gz	PURMAQQAARPRHF-SJORKVTESA-N	0	2	358.463	2.791	10	0		FFAELN
Cc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)s1	ZINC000630645541	522986180	/nfs/dbraw/zinc/98/61/80/522986180.db2.gz	PURMAQQAARPRHF-SJORKVTESA-N	0	2	358.463	2.791	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1F	ZINC000630647629	522988517	/nfs/dbraw/zinc/98/85/17/522988517.db2.gz	LQGASKMHCWDKTQ-SJORKVTESA-N	0	2	372.396	2.891	10	0		FFAELN
COc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1F	ZINC000630647629	522988521	/nfs/dbraw/zinc/98/85/21/522988521.db2.gz	LQGASKMHCWDKTQ-SJORKVTESA-N	0	2	372.396	2.891	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630672628	523037371	/nfs/dbraw/zinc/03/73/71/523037371.db2.gz	NHUQWTCFJLTIIG-SJORKVTESA-N	0	2	358.463	2.824	10	0		FFAELN
CN(Cc1cccs1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630672628	523037373	/nfs/dbraw/zinc/03/73/73/523037373.db2.gz	NHUQWTCFJLTIIG-SJORKVTESA-N	0	2	358.463	2.824	10	0		FFAELN
Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1	ZINC000134297087	728729587	/nfs/dbraw/zinc/72/95/87/728729587.db2.gz	FTYVSRJXNKDXHI-YGRLFVJLSA-N	0	2	367.808	2.504	10	0		FFAELN
CC1(C)CCc2nc(NS(=O)(=O)c3cccc4c3OCC4)ncc2C1	ZINC000333842765	729811705	/nfs/dbraw/zinc/81/17/05/729811705.db2.gz	LPSHMLCKWKBPGH-UHFFFAOYSA-N	0	2	359.451	2.727	10	0		FFAELN
Cn1cnnc1C1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1	ZINC000106905129	250298480	/nfs/dbraw/zinc/29/84/80/250298480.db2.gz	PXBXMSHJVPBJPN-UHFFFAOYSA-N	0	2	355.225	2.847	10	0		FFAELN
O=C(c1cccs1)N1CCCN(C(=O)c2cc(F)c(O)c(F)c2)CC1	ZINC000186808185	251267338	/nfs/dbraw/zinc/26/73/38/251267338.db2.gz	ATMQSGUJKZPQAF-UHFFFAOYSA-N	0	2	366.389	2.720	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1C(=O)[O-]	ZINC000008698764	506662265	/nfs/dbraw/zinc/66/22/65/506662265.db2.gz	LOOJQFZOPIXQDP-CQSZACIVSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1C(=O)[O-]	ZINC000008698764	506662270	/nfs/dbraw/zinc/66/22/70/506662270.db2.gz	LOOJQFZOPIXQDP-CQSZACIVSA-N	0	2	354.834	2.846	10	0		FFAELN
CC(C)Cc1ccc([C@@H](C)NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1	ZINC000048182021	507472441	/nfs/dbraw/zinc/47/24/41/507472441.db2.gz	LNTHOPPZZNCHBX-GFCCVEGCSA-N	0	2	366.421	2.713	10	0		FFAELN
CCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@@H](C)CS(C)(=O)=O	ZINC000112728215	508216655	/nfs/dbraw/zinc/21/66/55/508216655.db2.gz	KMAMBJRSEIFDFA-QMMMGPOBSA-N	0	2	354.255	2.594	10	0		FFAELN
CCN(C(=O)c1ccc(Cl)c(Cl)c1O)[C@H](C)CS(C)(=O)=O	ZINC000112728216	508216664	/nfs/dbraw/zinc/21/66/64/508216664.db2.gz	KMAMBJRSEIFDFA-MRVPVSSYSA-N	0	2	354.255	2.594	10	0		FFAELN
COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3c[nH]c4c(cnn4C)c3=O)C2)cc1	ZINC000119272669	508762197	/nfs/dbraw/zinc/76/21/97/508762197.db2.gz	JEFDMMKIWFBFTA-GXTWGEPZSA-N	0	2	366.421	2.701	10	0		FFAELN
O=c1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)[nH]c2ccsc21	ZINC000121488447	509176590	/nfs/dbraw/zinc/17/65/90/509176590.db2.gz	QZYMMWZYKXVVPN-IINYFYTJSA-N	0	2	363.389	2.571	10	0		FFAELN
Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(c3cc[nH]n3)CC2)=N1	ZINC000176115466	509330527	/nfs/dbraw/zinc/33/05/27/509330527.db2.gz	XYJJAEXDQMPCMN-UHFFFAOYSA-N	0	2	369.400	2.768	10	0		FFAELN
CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H]3CCCn4ncnc43)=N2)cc1	ZINC000176323143	509446432	/nfs/dbraw/zinc/44/64/32/509446432.db2.gz	PBAGMGLZFKEHKO-HNNXBMFYSA-N	0	2	366.425	2.558	10	0		FFAELN
Cc1nc2c(s1)[C@H](N(C)C(=O)c1c[nH]c3c(cnn3C)c1=O)CCC2	ZINC000179492741	509476973	/nfs/dbraw/zinc/47/69/73/509476973.db2.gz	ZOOSLDUBQJDDOP-CYBMUJFWSA-N	0	2	357.439	2.588	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@]1(C)Cc1ccccc1)c2=O	ZINC000186215067	509582582	/nfs/dbraw/zinc/58/25/82/509582582.db2.gz	WHFMERWZGSPGHV-HXUWFJFHSA-N	0	2	350.422	2.911	10	0		FFAELN
O=C(c1cc(F)c(F)c([O-])c1F)N1CCCN(c2cccc[nH+]2)CC1	ZINC000184230547	510207306	/nfs/dbraw/zinc/20/73/06/510207306.db2.gz	CKOLDGJJNLVXFT-UHFFFAOYSA-N	0	2	351.328	2.557	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1CC(=O)c1cccs1)c2=O	ZINC000182127686	510770196	/nfs/dbraw/zinc/77/01/96/510770196.db2.gz	JWYZPYCOMQPNNO-NSHDSACASA-N	0	2	370.434	2.613	10	0		FFAELN
O=S(=O)(Nc1cccc(-c2ncon2)c1)c1c(F)cc(F)cc1F	ZINC000195449756	510829946	/nfs/dbraw/zinc/82/99/46/510829946.db2.gz	INDJDQKGWDJJIL-UHFFFAOYSA-N	0	2	355.297	2.955	10	0		FFAELN
CSC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCC1	ZINC000600984076	520574007	/nfs/dbraw/zinc/57/40/07/520574007.db2.gz	NCOVYKFMRFWRRF-HOTGVXAUSA-N	0	2	362.495	2.506	10	0		FFAELN
CSC1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCC1	ZINC000600984076	520574011	/nfs/dbraw/zinc/57/40/11/520574011.db2.gz	NCOVYKFMRFWRRF-HOTGVXAUSA-N	0	2	362.495	2.506	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000600984128	520574377	/nfs/dbraw/zinc/57/43/77/520574377.db2.gz	OGKCKZSMWLDHGB-ZACQAIPSSA-N	0	2	364.511	2.704	10	0		FFAELN
CC[C@H](CSC)N(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000600984128	520574382	/nfs/dbraw/zinc/57/43/82/520574382.db2.gz	OGKCKZSMWLDHGB-ZACQAIPSSA-N	0	2	364.511	2.704	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC2(F)F)[N@@H+]1Cc1ccccc1	ZINC000630653194	522999970	/nfs/dbraw/zinc/99/99/70/522999970.db2.gz	UJUIGMSPPRJGFA-OAGGEKHMSA-N	0	2	366.408	2.656	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCC2(F)F)[N@H+]1Cc1ccccc1	ZINC000630653194	522999980	/nfs/dbraw/zinc/99/99/80/522999980.db2.gz	UJUIGMSPPRJGFA-OAGGEKHMSA-N	0	2	366.408	2.656	10	0		FFAELN
CC(C)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1nccs1	ZINC000630657274	523008031	/nfs/dbraw/zinc/00/80/31/523008031.db2.gz	OQTLMHRIAVDADG-CABCVRRESA-N	0	2	373.478	2.612	10	0		FFAELN
CC(C)(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1nccs1	ZINC000630657274	523008038	/nfs/dbraw/zinc/00/80/38/523008038.db2.gz	OQTLMHRIAVDADG-CABCVRRESA-N	0	2	373.478	2.612	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC23CCCCC3)[N@@H+]1Cc1ccccc1	ZINC000630662559	523018377	/nfs/dbraw/zinc/01/83/77/523018377.db2.gz	FSBMBKMWNQKTKR-OKZBNKHCSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC23CCCCC3)[N@H+]1Cc1ccccc1	ZINC000630662559	523018387	/nfs/dbraw/zinc/01/83/87/523018387.db2.gz	FSBMBKMWNQKTKR-OKZBNKHCSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NC2CCC3(CC3)CC2)[N@@H+]1Cc1ccccc1	ZINC000630672119	523032837	/nfs/dbraw/zinc/03/28/37/523032837.db2.gz	NGMAAHSIQFJHAX-ZWKOTPCHSA-N	0	2	356.466	2.943	10	0		FFAELN
O=C([O-])[C@H]1CC[C@@H](C(=O)NC2CCC3(CC3)CC2)[N@H+]1Cc1ccccc1	ZINC000630672119	523032843	/nfs/dbraw/zinc/03/28/43/523032843.db2.gz	NGMAAHSIQFJHAX-ZWKOTPCHSA-N	0	2	356.466	2.943	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630674483	523038321	/nfs/dbraw/zinc/03/83/21/523038321.db2.gz	SZFODXKNIDHHHH-HUUCEWRRSA-N	0	2	354.397	2.606	10	0		FFAELN
CC(C)N(CC(F)F)C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630674483	523038331	/nfs/dbraw/zinc/03/83/31/523038331.db2.gz	SZFODXKNIDHHHH-HUUCEWRRSA-N	0	2	354.397	2.606	10	0		FFAELN
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c(O)cc(F)cc1F	ZINC000109702249	728528508	/nfs/dbraw/zinc/52/85/08/728528508.db2.gz	OOVXIVYAMUCVLM-JTQLQIEISA-N	0	2	356.369	2.752	10	0		FFAELN
COc1c(Cl)cc(Cl)cc1C[N@H+]1C[C@@H](OC)[C@H](c2c[nH]nn2)C1	ZINC000668576677	733141158	/nfs/dbraw/zinc/14/11/58/733141158.db2.gz	SAQCBDHHVRAFBI-SMDDNHRTSA-N	0	2	357.241	2.735	10	0		FFAELN
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC)cc1	ZINC000014437227	220124570	/nfs/dbraw/zinc/12/45/70/220124570.db2.gz	UZIFGCHUAVTVIL-UHFFFAOYSA-N	0	2	374.345	2.906	10	0	biogenic	FFAELN
Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1	ZINC000328672061	258117636	/nfs/dbraw/zinc/11/76/36/258117636.db2.gz	HVFDUZFIXIYDKQ-KSSFIOAISA-N	0	2	353.470	2.614	10	0		FFAELN
O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1O)Nc1ccncc1	ZINC000106913964	507828386	/nfs/dbraw/zinc/82/83/86/507828386.db2.gz	HQTYNFDRFGOYJO-UHFFFAOYSA-N	0	2	354.193	2.853	10	0		FFAELN
C[C@@H]1C[C@@H]1NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1	ZINC000075517254	508113195	/nfs/dbraw/zinc/11/31/95/508113195.db2.gz	GXABVPCGCNZHCV-RISCZKNCSA-N	0	2	350.465	2.616	10	0		FFAELN
Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(F)cc(Cl)c3O)CCO2)n1	ZINC000151114968	508960177	/nfs/dbraw/zinc/96/01/77/508960177.db2.gz	XXELAGKQWOLZNP-CYBMUJFWSA-N	0	2	367.808	2.539	10	0		FFAELN
CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1	ZINC000190482003	510156397	/nfs/dbraw/zinc/15/63/97/510156397.db2.gz	DJMDMRXCWLRZEL-INIZCTEOSA-N	0	2	361.921	2.985	10	0		FFAELN
Cn1cc([C@H]2CCN(C(=O)C3=NN(c4ccc(Cl)cc4)CC3=O)C2)cn1	ZINC000194138770	510233674	/nfs/dbraw/zinc/23/36/74/510233674.db2.gz	BUAYCWZFHGVACO-LBPRGKRZSA-N	0	2	371.828	2.595	10	0		FFAELN
O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1O)c1cccs1	ZINC000171610760	510251542	/nfs/dbraw/zinc/25/15/42/510251542.db2.gz	MZQJNDPYNGSHCJ-UHFFFAOYSA-N	0	2	359.234	2.920	10	0		FFAELN
COC(=O)[C@@]1(C)CCCN1C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O	ZINC000190731903	510314800	/nfs/dbraw/zinc/31/48/00/510314800.db2.gz	SPEYXLTXBRCDLU-HXUWFJFHSA-N	0	2	371.437	2.869	10	0		FFAELN
COc1cccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000246945715	510761448	/nfs/dbraw/zinc/76/14/48/510761448.db2.gz	UKBIGEMOLMVDAH-RXVVDRJESA-N	0	2	371.525	2.602	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)c(F)c2)[N@@H+]1Cc1ccccc1	ZINC000630644032	522984142	/nfs/dbraw/zinc/98/41/42/522984142.db2.gz	ANRPYQQQFWEQTD-MSOLQXFVSA-N	0	2	374.387	2.699	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc(F)c(F)c2)[N@H+]1Cc1ccccc1	ZINC000630644032	522984153	/nfs/dbraw/zinc/98/41/53/522984153.db2.gz	ANRPYQQQFWEQTD-MSOLQXFVSA-N	0	2	374.387	2.699	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)cc1	ZINC000630663633	523022694	/nfs/dbraw/zinc/02/26/94/523022694.db2.gz	BLVNLPLWSYLNAO-RTBURBONSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1ccc(N(C)C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)cc1	ZINC000630663633	523022704	/nfs/dbraw/zinc/02/27/04/523022704.db2.gz	BLVNLPLWSYLNAO-RTBURBONSA-N	0	2	368.433	2.776	10	0		FFAELN
COc1nc2ccccc2cc1C[N@@H+]1CCCn2nc(C(=O)[O-])cc2C1	ZINC000065530736	221231521	/nfs/dbraw/zinc/23/15/21/221231521.db2.gz	BYBPEFDKZSEXNL-UHFFFAOYSA-N	0	2	352.394	2.544	10	0		FFAELN
COc1nc2ccccc2cc1C[N@H+]1CCCn2nc(C(=O)[O-])cc2C1	ZINC000065530736	221231522	/nfs/dbraw/zinc/23/15/22/221231522.db2.gz	BYBPEFDKZSEXNL-UHFFFAOYSA-N	0	2	352.394	2.544	10	0		FFAELN
C[NH+](C)Cc1nc(C(C)(C)NC(=O)c2ccc(Cl)c(Cl)c2[O-])no1	ZINC000106910599	507828220	/nfs/dbraw/zinc/82/82/20/507828220.db2.gz	BXKHIDTUMVVNCO-UHFFFAOYSA-N	0	2	373.240	2.809	10	0		FFAELN
Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)C2)n1	ZINC000152088688	509143863	/nfs/dbraw/zinc/14/38/63/509143863.db2.gz	UBTRXURACALLKD-GFCCVEGCSA-N	0	2	366.824	2.945	10	0		FFAELN
NC(=O)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1O)c1ccc(F)cc1	ZINC000185691471	509305257	/nfs/dbraw/zinc/30/52/57/509305257.db2.gz	OMYVYFLJUCCQEV-GFCCVEGCSA-N	0	2	357.168	2.795	10	0		FFAELN
Cc1cnn(CCNC(=O)c2cc(Cl)cc(Br)c2O)c1	ZINC000176299451	509430662	/nfs/dbraw/zinc/43/06/62/509430662.db2.gz	PBQARBBOVQGRBR-UHFFFAOYSA-N	0	2	358.623	2.743	10	0		FFAELN
CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1	ZINC000182899269	509483149	/nfs/dbraw/zinc/48/31/49/509483149.db2.gz	LIPSOWIJDKWMLF-OAQYLSRUSA-N	0	2	373.541	2.890	10	0		FFAELN
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1	ZINC000254448639	509905884	/nfs/dbraw/zinc/90/58/84/509905884.db2.gz	JQBIIYXKEFVGST-ZHHAWYBESA-N	0	2	356.466	2.735	10	0		FFAELN
CCN1CCc2nc(NS(=O)(=O)c3cccc4ncccc43)sc2C1	ZINC000171147094	509969738	/nfs/dbraw/zinc/96/97/38/509969738.db2.gz	HFBCXPQMWYKKLR-UHFFFAOYSA-N	0	2	374.491	2.870	10	0		FFAELN
Cn1ncc2c1[nH]cc(C(=O)N1CC[C@@H](Cc3ccc(F)cc3)C1)c2=O	ZINC000182039962	510725532	/nfs/dbraw/zinc/72/55/32/510725532.db2.gz	JPQXKUSOMLODRG-ZDUSSCGKSA-N	0	2	354.385	2.518	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)[N@@H+]1Cc1ccccc1	ZINC000630648236	522989767	/nfs/dbraw/zinc/98/97/67/522989767.db2.gz	DDBXTQCNOJQYCW-ZRSRNVLSSA-N	0	2	356.466	2.657	10	0		FFAELN
O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)[N@H+]1Cc1ccccc1	ZINC000630648236	522989774	/nfs/dbraw/zinc/98/97/74/522989774.db2.gz	DDBXTQCNOJQYCW-ZRSRNVLSSA-N	0	2	356.466	2.657	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1	ZINC000630658746	523007340	/nfs/dbraw/zinc/00/73/40/523007340.db2.gz	OSGZGFASXCSWNJ-CABCVRRESA-N	0	2	354.397	2.608	10	0		FFAELN
CCCN(CC(F)F)C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1	ZINC000630658746	523007349	/nfs/dbraw/zinc/00/73/49/523007349.db2.gz	OSGZGFASXCSWNJ-CABCVRRESA-N	0	2	354.397	2.608	10	0		FFAELN