smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1	ZINC000013444823	562986799	/nfs/dbraw/zinc/98/67/99/562986799.db2.gz	GYCWHNUGCXMJDF-OAQYLSRUSA-N	0	1	431.577	2.335	1	0		IEAFMN
Cc1nc2ccccc2nc1CN(C)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000026962850	563038337	/nfs/dbraw/zinc/03/83/37/563038337.db2.gz	XQIWOORCQIUOJG-KRWDZBQOSA-N	0	1	430.530	2.181	1	0		IEAFMN
O=C1[N-]C(=O)[C@H](Cc2ccc(N3CCC([NH2+]C[C@H](O)c4cccnc4)CC3)cc2)S1	ZINC000027855166	563047341	/nfs/dbraw/zinc/04/73/41/563047341.db2.gz	AWMGTFQYJPFJJO-PMACEKPBSA-N	0	1	426.542	2.268	1	0		IEAFMN
C[C@@]1(c2ccc(F)cc2)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C1=O	ZINC000029243821	563077193	/nfs/dbraw/zinc/07/71/93/563077193.db2.gz	ZFSXTHDCRMCHDS-QHCPKHFHSA-N	0	1	425.508	2.235	1	0		IEAFMN
Nc1nc(-c2cccc(I)c2)c(I)c(=O)[nH]1	ZINC000029552872	563082031	/nfs/dbraw/zinc/08/20/31/563082031.db2.gz	VUPUOZQDFCHWCM-UHFFFAOYSA-N	0	1	438.994	2.228	1	0		IEAFMN
CC(C)N(C(=O)CCNC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1)C(C)C	ZINC000035902126	563090382	/nfs/dbraw/zinc/09/03/82/563090382.db2.gz	MCEPSUNNZLCDNS-NSHDSACASA-N	0	1	435.365	2.139	1	0		IEAFMN
CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)NCc2ccccc2)CC1	ZINC000036388110	563094705	/nfs/dbraw/zinc/09/47/05/563094705.db2.gz	SKLJNHZDDXVPCT-UHFFFAOYSA-N	0	1	427.505	2.469	3	0		IEAFMN
CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(OC(C)=O)cc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42	ZINC000040424181	563102903	/nfs/dbraw/zinc/10/29/03/563102903.db2.gz	ZWUDUCJVIQMXIN-YOQJOLSQSA-N	0	1	440.496	2.366	1	0		IEAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)[C@H]1CCc2ccccc2C1	ZINC000040897239	563110591	/nfs/dbraw/zinc/11/05/91/563110591.db2.gz	DITCMTHSYZAUGM-QFIPXVFZSA-N	0	1	432.568	2.336	1	0		IEAFMN
O[C@@H]1CCN(C/C=C/I)C[C@H]1N1CCN(c2ccccc2)CC1	ZINC000058558384	563144457	/nfs/dbraw/zinc/14/44/57/563144457.db2.gz	VRYCGFIQYQENPX-PLDKWVJVSA-N	0	1	427.330	2.193	1	0		IEAFMN
Cc1sc2nc(SCCCN3CCN(c4ccccn4)CC3)n(N)c(=O)c2c1C	ZINC000059854288	563146798	/nfs/dbraw/zinc/14/67/98/563146798.db2.gz	HOABLJVFGVOCMM-UHFFFAOYSA-N	0	1	430.603	2.488	1	0		IEAFMN
Nn1c(=O)c2ncccc2nc1SCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000059855859	563146802	/nfs/dbraw/zinc/14/68/02/563146802.db2.gz	SPBSBKPLXWUEGQ-UHFFFAOYSA-N	0	1	447.568	2.358	1	0		IEAFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5cccnn54)c3n2)CC1	ZINC000095559713	563182083	/nfs/dbraw/zinc/18/20/83/563182083.db2.gz	SZZQLORUXBEDRG-UHFFFAOYSA-N	0	1	443.437	2.450	1	0		IEAFMN
CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn43)n2)cc1	ZINC000000590705	562918344	/nfs/dbraw/zinc/91/83/44/562918344.db2.gz	HYBCPKCAHCAFSQ-UHFFFAOYSA-N	0	1	437.529	2.375	1	0		IEAFMN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)CC1	ZINC000012705780	562983006	/nfs/dbraw/zinc/98/30/06/562983006.db2.gz	CGUGULQGWHYMIR-UHFFFAOYSA-N	0	1	448.470	2.478	3	0		IEAFMN
N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1	ZINC000013444798	562986831	/nfs/dbraw/zinc/98/68/31/562986831.db2.gz	OBMUCKQULKBRME-HXUWFJFHSA-N	0	1	442.585	2.219	1	0		IEAFMN
COCC[C@H]1C[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)OCCNC(C)=O)(C2)[C@H]13	ZINC000013522299	562991322	/nfs/dbraw/zinc/99/13/22/562991322.db2.gz	PIPDTENSRZRDNA-GMMXXOHYSA-N	0	1	439.556	2.388	1	0	in-vivo	IEAFMN
Nc1cc(N2CCN3[C@@H](COc4cccnc4)CCC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585846	562995194	/nfs/dbraw/zinc/99/51/94/562995194.db2.gz	NVKOPDWEMXIWRT-DLBZAZTESA-N	0	1	446.515	2.484	1	0		IEAFMN
O=C(C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCCc1cn[nH]c1	ZINC000013594844	562996576	/nfs/dbraw/zinc/99/65/76/562996576.db2.gz	VLUPMZPKWHAXPC-HSZRJFAPSA-N	0	1	431.540	2.091	3	0		IEAFMN
COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4nc[nH]c4c3)c2=O)cc1	ZINC000013818851	563009683	/nfs/dbraw/zinc/00/96/83/563009683.db2.gz	ONZJIEKRQSNWMY-UHFFFAOYSA-N	0	1	446.511	2.408	1	0		IEAFMN
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCc4cn(C)cn4)cc[nH]c3=O)nc21	ZINC000029040913	563072069	/nfs/dbraw/zinc/07/20/69/563072069.db2.gz	AYBRPNRWSDGUIP-UHFFFAOYSA-N	0	1	433.516	2.451	1	0		IEAFMN
C[C@]1(c2ccc(F)cc2)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C1=O	ZINC000029243829	563077164	/nfs/dbraw/zinc/07/71/64/563077164.db2.gz	ZFSXTHDCRMCHDS-HSZRJFAPSA-N	0	1	425.508	2.235	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N[C@@H]3C2=O)CC1	ZINC000040429156	563103167	/nfs/dbraw/zinc/10/31/67/563103167.db2.gz	MXCBBGOZSWZFBD-VXKWHMMOSA-N	0	1	435.528	2.295	1	0		IEAFMN
O[C@H]1CCN(C/C=C/I)C[C@@H]1N1CCN(c2ccccc2)CC1	ZINC000040564243	563104716	/nfs/dbraw/zinc/10/47/16/563104716.db2.gz	VRYCGFIQYQENPX-AEEZDXSHSA-N	0	1	427.330	2.193	1	0		IEAFMN
O[C@H]1CCN(C/C=C/I)C[C@H]1N1CCN(c2ccccc2)CC1	ZINC000040564240	563104718	/nfs/dbraw/zinc/10/47/18/563104718.db2.gz	VRYCGFIQYQENPX-PGHYUYILSA-N	0	1	427.330	2.193	1	0		IEAFMN
O=C(NCc1cccc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O	ZINC000073138574	563168804	/nfs/dbraw/zinc/16/88/04/563168804.db2.gz	UJZGPIDHHPUZMC-UHFFFAOYSA-N	0	1	430.461	2.335	1	0		IEAFMN
CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1	ZINC000095601721	563192998	/nfs/dbraw/zinc/19/29/98/563192998.db2.gz	QQFSTJQIEWEGPW-KRWDZBQOSA-N	0	1	431.484	2.201	3	0		IEAFMN
CCC(=O)N(c1ccccc1)C1(c2ccccn2)CCN(CCn2nnn(CC)c2=O)CC1	ZINC000000603297	562918716	/nfs/dbraw/zinc/91/87/16/562918716.db2.gz	OXXSALHIEYMPGB-UHFFFAOYSA-N	0	1	449.559	2.289	1	0		IEAFMN
Nc1nc(N2CCN3C[C@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585805	562995093	/nfs/dbraw/zinc/99/50/93/562995093.db2.gz	UCYOUFWURNXRNU-SJORKVTESA-N	0	1	446.515	2.341	1	0		IEAFMN
COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1OS(=O)(=O)[O-]	ZINC000013786320	563007073	/nfs/dbraw/zinc/00/70/73/563007073.db2.gz	XBZJQPNSUUABAM-UROMYXJWSA-N	0	1	434.514	2.474	1	0		IEAFMN
COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1OS(=O)(=O)[O-]	ZINC000013786320	563007075	/nfs/dbraw/zinc/00/70/75/563007075.db2.gz	XBZJQPNSUUABAM-UROMYXJWSA-N	0	1	434.514	2.474	1	0		IEAFMN
CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccnc3ccccc13)CC2	ZINC000019770706	563022975	/nfs/dbraw/zinc/02/29/75/563022975.db2.gz	BYYVYIJQZFEYFG-FQEVSTJZSA-N	0	1	428.562	2.131	1	0		IEAFMN
COc1c(I)c(N)c(Cl)cc1C(=O)N[C@@H]1CN2CCC1CC2	ZINC000026636813	563034277	/nfs/dbraw/zinc/03/42/77/563034277.db2.gz	ORXSRBCOMNTIRE-LLVKDONJSA-N	0	1	435.693	2.359	1	0		IEAFMN
O=C1CN(CCCCN2CCN(c3ccccc3C(F)(F)F)CC2)C(=O)[C@H]2CCCN12	ZINC000026716501	563035517	/nfs/dbraw/zinc/03/55/17/563035517.db2.gz	SGQHIAKHWDPOQC-LJQANCHMSA-N	0	1	438.494	2.441	1	0		IEAFMN
COc1ccc2nc(CN(C)C[C@H](O)COc3ccc(NS(C)(=O)=O)cc3)ccc2c1	ZINC000026966200	563038325	/nfs/dbraw/zinc/03/83/25/563038325.db2.gz	ZBTLKBASCRAUID-IBGZPJMESA-N	0	1	445.541	2.487	1	0		IEAFMN
COc1ccccc1N1CCN(C[C@@H](O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1	ZINC000029408719	563079741	/nfs/dbraw/zinc/07/97/41/563079741.db2.gz	ZEELOWGOZGVPIS-IBGZPJMESA-N	0	1	429.561	2.278	1	0		IEAFMN
COc1ccc2c(c1)CN(CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)CC2	ZINC000034271204	563085916	/nfs/dbraw/zinc/08/59/16/563085916.db2.gz	WOQYUHFMBSSZLC-UHFFFAOYSA-N	0	1	430.472	2.383	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc4cc(Cl)ccc4c3)[C@@H]2SC1	ZINC000040434061	563103631	/nfs/dbraw/zinc/10/36/31/563103631.db2.gz	HLNLVZGXLFKQFQ-CLCXKQKWSA-N	0	1	431.901	2.252	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4O[C@H]3C2=O)CC1	ZINC000040980082	563115612	/nfs/dbraw/zinc/11/56/12/563115612.db2.gz	MJAGDZMQLUKTIZ-FGZHOGPDSA-N	0	1	436.512	2.261	1	0		IEAFMN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccncc2)Oc2c(cccc2N(C)C)C1=O	ZINC000061947835	563151462	/nfs/dbraw/zinc/15/14/62/563151462.db2.gz	OVBQAIOLOOTXQW-NJNPRVFISA-N	0	1	426.561	2.500	3	0		IEAFMN
CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn54)n3)c2)CC1	ZINC000063298250	563152259	/nfs/dbraw/zinc/15/22/59/563152259.db2.gz	NPJROAJIXPVMTE-UHFFFAOYSA-N	0	1	428.500	2.386	1	0		IEAFMN
COc1cccc2c1nc(C(F)F)n2-c1cc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000073160257	563169377	/nfs/dbraw/zinc/16/93/77/563169377.db2.gz	AHCKISAUHFHTRR-UHFFFAOYSA-N	0	1	446.458	2.435	1	0		IEAFMN
CN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000011817184	562979438	/nfs/dbraw/zinc/97/94/38/562979438.db2.gz	PYCPGEWDUQFUDF-HSZRJFAPSA-N	0	1	445.567	2.401	3	0		IEAFMN
Cc1nc[nH]c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1	ZINC000028566484	563058290	/nfs/dbraw/zinc/05/82/90/563058290.db2.gz	WBGJXCKLTHZTRF-JTHBVZDNSA-N	0	1	431.540	2.485	1	0		IEAFMN
COc1ccccc1N1CCN(C[C@H](O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1	ZINC000029408722	563079727	/nfs/dbraw/zinc/07/97/27/563079727.db2.gz	ZEELOWGOZGVPIS-LJQANCHMSA-N	0	1	429.561	2.278	1	0		IEAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1ccccn1	ZINC000036520082	563095725	/nfs/dbraw/zinc/09/57/25/563095725.db2.gz	VQKMITXYEKFPGK-UHFFFAOYSA-N	0	1	437.475	2.164	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3csc4cc(Cl)ccc43)[C@@H]2SC1	ZINC000040434342	563103711	/nfs/dbraw/zinc/10/37/11/563103711.db2.gz	ZMOWOBXWTQPZDP-XNJGSVPQSA-N	0	1	437.930	2.313	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4O[C@H]3C2=O)CC1	ZINC000040980086	563115600	/nfs/dbraw/zinc/11/56/00/563115600.db2.gz	MJAGDZMQLUKTIZ-FCHUYYIVSA-N	0	1	436.512	2.261	1	0		IEAFMN
CC[C@@H](N)C(=O)O[C@@]1(CC)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccccc2nc1-3	ZINC000045259133	563127568	/nfs/dbraw/zinc/12/75/68/563127568.db2.gz	MBOSZPWZISWADV-OSPHWJPCSA-N	0	1	433.464	2.368	1	0		IEAFMN
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CCO)c3)[C@@H]2O)c1	ZINC000071296569	563161820	/nfs/dbraw/zinc/16/18/20/563161820.db2.gz	UAFFQIGZGPYEIP-GPXNEJASSA-N	0	1	447.597	2.157	1	0		IEAFMN
CS(=O)(=O)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)[O-])n2Cc1cc[nH+]c(N)c1	ZINC000084616159	563174376	/nfs/dbraw/zinc/17/43/76/563174376.db2.gz	CCSFEICWIUUIIG-UHFFFAOYSA-N	0	1	438.465	2.124	1	0		IEAFMN
Cc1nc(CN2CCN(c3c4nc(-c5cn(C)nc5C)[nH]c4ncc3Cl)CC2)no1	ZINC000095559149	563181903	/nfs/dbraw/zinc/18/19/03/563181903.db2.gz	ZYQKMYRXVHUATB-UHFFFAOYSA-N	0	1	427.900	2.334	1	0		IEAFMN
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3ccccc3)C4)cc2)CC1	ZINC000013643149	562998576	/nfs/dbraw/zinc/99/85/76/562998576.db2.gz	LZTPJGBYVKLMTF-UHFFFAOYSA-N	0	1	444.539	2.499	1	0		IEAFMN
OCCN1CCN(Cc2ccc3c(c2)CN(Cc2cccn2-c2ccccn2)CCO3)CC1	ZINC000019740949	563022839	/nfs/dbraw/zinc/02/28/39/563022839.db2.gz	ODDVNUVQYPQMKG-UHFFFAOYSA-N	0	1	447.583	2.377	1	0		IEAFMN
COc1cc(CN2CCOc3ccc(CN4CCN(CCO)CC4)cc3C2)ccc1F	ZINC000020995921	563025243	/nfs/dbraw/zinc/02/52/43/563025243.db2.gz	NNEAGDOMQONAKT-UHFFFAOYSA-N	0	1	429.536	2.339	1	0		IEAFMN
O=C(CCC(=O)N1CCC[C@@H]1c1nn[nH]n1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013043	563028519	/nfs/dbraw/zinc/02/85/19/563028519.db2.gz	XUVSXSUAQLBJIY-VQTJNVASSA-N	0	1	446.511	2.254	1	0		IEAFMN
CC(=O)O[C@@H]1C[C@H]2[C@@H](OC(C)=O)CCCN2C(C)(C)[C@@H]1n1cnc2ccccc2c1=O	ZINC000026571360	563033344	/nfs/dbraw/zinc/03/33/44/563033344.db2.gz	AUHUXWHCKSUBJC-UWHLTILDSA-N	0	1	427.501	2.448	1	0		IEAFMN
O=C(CNC[C@@H](O)COc1cccc2ccccc21)Nc1ccc(C2=NNC(=O)CC2)cc1	ZINC000027097816	563039555	/nfs/dbraw/zinc/03/95/55/563039555.db2.gz	MKMHCSOVYFTWFJ-HXUWFJFHSA-N	0	1	446.507	2.422	1	0		IEAFMN
CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CCN(CCn2ncnn2)CC1	ZINC000028016750	563049979	/nfs/dbraw/zinc/04/99/79/563049979.db2.gz	JVZFUMHYFWTGBN-UHFFFAOYSA-N	0	1	442.564	2.396	1	0		IEAFMN
Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1N	ZINC000028702844	563061571	/nfs/dbraw/zinc/06/15/71/563061571.db2.gz	RDHVXDAJVVCPMX-UHFFFAOYSA-N	0	1	427.534	2.033	1	0		IEAFMN
Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCCc2cnc[nH]2)c1	ZINC000028709951	563062513	/nfs/dbraw/zinc/06/25/13/563062513.db2.gz	SMXFXFXTOWXPSC-UHFFFAOYSA-N	0	1	441.923	2.192	1	0		IEAFMN
O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	ZINC000029245378	563077198	/nfs/dbraw/zinc/07/71/98/563077198.db2.gz	YLIUOKCBMMVWDS-RUZDIDTESA-N	0	1	433.556	2.313	1	0		IEAFMN
CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000036388147	563094725	/nfs/dbraw/zinc/09/47/25/563094725.db2.gz	YEROIQBEEABMHH-UHFFFAOYSA-N	0	1	427.505	2.375	3	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc4cc(Cl)ccc4c3)[C@H]2SC1	ZINC000040434060	563103584	/nfs/dbraw/zinc/10/35/84/563103584.db2.gz	HLNLVZGXLFKQFQ-SPYBWZPUSA-N	0	1	431.901	2.252	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3csc4cc(Cl)ccc43)[C@H]2SC1	ZINC000040434340	563103666	/nfs/dbraw/zinc/10/36/66/563103666.db2.gz	ZMOWOBXWTQPZDP-PBFPGSCMSA-N	0	1	437.930	2.313	1	0		IEAFMN
O=C(CCC(=O)N1CCNCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4	ZINC000073225030	563171155	/nfs/dbraw/zinc/17/11/55/563171155.db2.gz	CWYBOMZPIGUTEV-UHFFFAOYSA-N	0	1	444.491	2.088	1	0		IEAFMN
COc1ccccc1N1CCN(CCCSc2nc3ccccc3c(=O)n2N)CC1	ZINC000013761037	563005143	/nfs/dbraw/zinc/00/51/43/563005143.db2.gz	HZNHEMVTHOZKDB-UHFFFAOYSA-N	0	1	425.558	2.423	1	0		IEAFMN
O=C1CN(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)[C@H]2CCCCN12	ZINC000013861483	563012756	/nfs/dbraw/zinc/01/27/56/563012756.db2.gz	MUPQKMRAHPIVMP-LJQANCHMSA-N	0	1	438.494	2.441	1	0		IEAFMN
O[C@H](COc1ncnc2[nH]cnc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022442978	563025600	/nfs/dbraw/zinc/02/56/00/563025600.db2.gz	FHXMJQFJPPIOBL-NRFANRHFSA-N	0	1	444.539	2.451	1	0		IEAFMN
O=C(CCC(=O)N1CCC[C@H]1c1nn[nH]n1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013037	563028503	/nfs/dbraw/zinc/02/85/03/563028503.db2.gz	XUVSXSUAQLBJIY-UXHICEINSA-N	0	1	446.511	2.254	1	0		IEAFMN
COc1ccc2nc(CN(C)C[C@@H](O)COc3ccc(NS(C)(=O)=O)cc3)ccc2c1	ZINC000026966190	563038358	/nfs/dbraw/zinc/03/83/58/563038358.db2.gz	ZBTLKBASCRAUID-LJQANCHMSA-N	0	1	445.541	2.487	1	0		IEAFMN
Cn1c(=O)c(O)c(C(=O)NCc2ccc(F)cc2C(=O)N2CCCC2)nc1C(C)(C)C	ZINC000029047280	563072760	/nfs/dbraw/zinc/07/27/60/563072760.db2.gz	WAAXIFKLWWKGDC-UHFFFAOYSA-N	0	1	430.480	2.089	1	0		IEAFMN
CCn1nnn(CCN2CCC(Nc3nc4ccccc4n3Cc3ccccc3)CC2)c1=O	ZINC000029563139	563082375	/nfs/dbraw/zinc/08/23/75/563082375.db2.gz	DEYOMHYVHVIERY-UHFFFAOYSA-N	0	1	446.559	2.434	1	0		IEAFMN
CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3)c2)[nH]c1=O	ZINC000034872908	563088346	/nfs/dbraw/zinc/08/83/46/563088346.db2.gz	MIPMUZJVEZFSLM-NMGXZBPKSA-N	0	1	441.487	2.237	1	0		IEAFMN
CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cscn1	ZINC000036520089	563095690	/nfs/dbraw/zinc/09/56/90/563095690.db2.gz	ZSDBGBUACZIEEL-UHFFFAOYSA-N	0	1	443.504	2.225	1	0		IEAFMN
COc1ccc2c(c1)CCN(CCn1ncc3c4nc(-c5ccco5)nn4c(N)nc31)C2	ZINC000038460488	563097841	/nfs/dbraw/zinc/09/78/41/563097841.db2.gz	DRWJPOTZQUCTJY-UHFFFAOYSA-N	0	1	430.472	2.383	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4N[C@@H]3C2=O)CC1	ZINC000040429152	563103125	/nfs/dbraw/zinc/10/31/25/563103125.db2.gz	MXCBBGOZSWZFBD-YADHBBJMSA-N	0	1	435.528	2.295	1	0		IEAFMN
CCOC(=O)c1cn2c(n1)c(C(=O)N(CC)CC)c(N1CCN(C)CC1)c1cccnc12	ZINC000045255907	563127347	/nfs/dbraw/zinc/12/73/47/563127347.db2.gz	MRDJOEKQSLUJBU-UHFFFAOYSA-N	0	1	438.532	2.293	1	0		IEAFMN
CC(=O)N1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(C)c(Cl)c2)c(O)c(=O)n1C	ZINC000058581917	563145065	/nfs/dbraw/zinc/14/50/65/563145065.db2.gz	OJSHOMJTWMYBRH-ZFWWWQNUSA-N	0	1	436.871	2.009	1	0	in-vivo	IEAFMN
c1nc2c(ncnc2OCc2ccccc2)n1CCCN1CCN(c2ncccn2)CC1	ZINC000061922689	563149483	/nfs/dbraw/zinc/14/94/83/563149483.db2.gz	VGKCWNMQLYJNNV-UHFFFAOYSA-N	0	1	430.516	2.408	3	0		IEAFMN
O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CC[C@@H](O)C3)cc2)cc1	ZINC000066076931	563157587	/nfs/dbraw/zinc/15/75/87/563157587.db2.gz	AVHORHSPKPWCEO-HSZRJFAPSA-N	0	1	436.556	2.317	1	0		IEAFMN
COc1cccc(N2CCN(C[C@@H](O)COc3cc(OC)c(OC)c(OC)c3)CC2)c1	ZINC000026744524	563036329	/nfs/dbraw/zinc/03/63/29/563036329.db2.gz	ZIIHGZQKSTYQLO-GOSISDBHSA-N	0	1	432.517	2.283	1	0		IEAFMN
O=C(CNC[C@H](O)COc1cccc2ccccc21)Nc1ccc(C2=NNC(=O)CC2)cc1	ZINC000027097811	563039586	/nfs/dbraw/zinc/03/95/86/563039586.db2.gz	MKMHCSOVYFTWFJ-FQEVSTJZSA-N	0	1	446.507	2.422	1	0		IEAFMN
Nc1nc(N)c2c(cccc2OCC2CCN(S(=O)(=O)c3ccccc3F)CC2)n1	ZINC000028971803	563071254	/nfs/dbraw/zinc/07/12/54/563071254.db2.gz	RJDJVSWYXOUREL-UHFFFAOYSA-N	0	1	431.493	2.413	1	0		IEAFMN
O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	ZINC000029245370	563077169	/nfs/dbraw/zinc/07/71/69/563077169.db2.gz	YLIUOKCBMMVWDS-VWLOTQADSA-N	0	1	433.556	2.313	1	0		IEAFMN
COc1ccc(Cn2c3nc4c(n3c(=O)c(CC=C(C)C)c2O)C(=O)N(C)CN4C)cc1	ZINC000034168932	563085756	/nfs/dbraw/zinc/08/57/56/563085756.db2.gz	GVNSKUKJILXCFH-UHFFFAOYSA-N	0	1	437.500	2.247	1	0		IEAFMN
CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1	ZINC000035934182	563090468	/nfs/dbraw/zinc/09/04/68/563090468.db2.gz	VERZXIJVGYAQGS-RTWAWAEBSA-N	0	1	436.599	2.483	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc4cccc(Cl)c4c3)[C@H]2SC1	ZINC000040434226	563103638	/nfs/dbraw/zinc/10/36/38/563103638.db2.gz	DOFARGWBIZFTGU-SPYBWZPUSA-N	0	1	431.901	2.252	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3csc4ccc(Cl)cc43)[C@H]2SC1	ZINC000040434463	563103718	/nfs/dbraw/zinc/10/37/18/563103718.db2.gz	UZTZFVASHBYFNE-IIYDPXPESA-N	0	1	437.930	2.313	1	0		IEAFMN
COc1cc(Cc2c[nH+]c(N)nc2N)cc(OCCCC[C@@H]2SC(=O)[N-]C2=O)c1OC	ZINC000045229583	563125934	/nfs/dbraw/zinc/12/59/34/563125934.db2.gz	YSOXGQDMAQYTJU-HNNXBMFYSA-N	0	1	447.517	2.150	1	0		IEAFMN
C[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc21)C1CC1)C(=O)OCc1ccccc1	ZINC000045347269	563132004	/nfs/dbraw/zinc/13/20/04/563132004.db2.gz	GVFVMRAZZIMQBM-LBPRGKRZSA-N	0	1	428.880	2.223	1	0		IEAFMN
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc1CC2(C)C	ZINC000053119605	563141027	/nfs/dbraw/zinc/14/10/27/563141027.db2.gz	YJAHDBYTVJLWQB-UHFFFAOYSA-N	0	1	446.559	2.305	1	0		IEAFMN
O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CC[C@H](O)C3)cc2)cc1	ZINC000066078422	563157764	/nfs/dbraw/zinc/15/77/64/563157764.db2.gz	AVHORHSPKPWCEO-QHCPKHFHSA-N	0	1	436.556	2.317	1	0		IEAFMN
O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCC(O)CC1	ZINC000095575715	563185799	/nfs/dbraw/zinc/18/57/99/563185799.db2.gz	CTBJIWBDUSRRIE-UHFFFAOYSA-N	0	1	445.589	2.005	1	0		IEAFMN
O=C([O-])C[C@@H](NC(=O)c1ccc(CCC(=O)NC2=[NH+]CCCN2)s1)c1ccccc1	ZINC000096299881	563197392	/nfs/dbraw/zinc/19/73/92/563197392.db2.gz	VLJUFTHMYJULLF-MRXNPFEDSA-N	0	1	428.514	2.092	1	0		IEAFMN
Cc1[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c(=O)c1C	ZINC000013489999	562990066	/nfs/dbraw/zinc/99/00/66/562990066.db2.gz	NJLNPETVWRAQNN-UHFFFAOYSA-N	0	1	440.466	2.307	1	0		IEAFMN
C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)NC(=O)NC3=O	ZINC000013651642	562999266	/nfs/dbraw/zinc/99/92/66/562999266.db2.gz	AESWDEXOWUESBF-CVDCTZTESA-N	0	1	430.464	2.432	1	0		IEAFMN
O=C1CN(CCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)[C@@H]2CCCCN12	ZINC000013861484	563012746	/nfs/dbraw/zinc/01/27/46/563012746.db2.gz	MUPQKMRAHPIVMP-IBGZPJMESA-N	0	1	438.494	2.441	1	0		IEAFMN
O=C1NCN(c2ccccc2)C12CCN(C[C@@H]1CN3C(=N1)c1ccccc1NC3=O)CC2	ZINC000026288341	563030841	/nfs/dbraw/zinc/03/08/41/563030841.db2.gz	IAAUPUCMTFTRRE-QGZVFWFLSA-N	0	1	430.512	2.091	1	0		IEAFMN
O=C1CN(CCCN2CCN(c3ccccc3C(F)(F)F)CC2)C(=O)[C@@H]2CCCCN12	ZINC000026716319	563035499	/nfs/dbraw/zinc/03/54/99/563035499.db2.gz	KPTPMCGXJVLCBD-IBGZPJMESA-N	0	1	438.494	2.441	1	0		IEAFMN
O=C([O-])CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21	ZINC000028525246	563056694	/nfs/dbraw/zinc/05/66/94/563056694.db2.gz	ILZUPWALMALDJM-CJWRLGHKSA-N	0	1	425.529	2.455	1	0		IEAFMN
O=C([O-])CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21	ZINC000028525246	563056696	/nfs/dbraw/zinc/05/66/96/563056696.db2.gz	ILZUPWALMALDJM-CJWRLGHKSA-N	0	1	425.529	2.455	1	0		IEAFMN
O=C1C[C@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	ZINC000029245395	563077183	/nfs/dbraw/zinc/07/71/83/563077183.db2.gz	QRCTZUFFXMTQDP-VWLOTQADSA-N	0	1	433.556	2.412	1	0		IEAFMN
O=C1C[C@@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ncccn2)CC1	ZINC000029245387	563077241	/nfs/dbraw/zinc/07/72/41/563077241.db2.gz	QRCTZUFFXMTQDP-RUZDIDTESA-N	0	1	433.556	2.412	1	0		IEAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-c3ncco3)cc[nH]c1-2	ZINC000034821154	563088210	/nfs/dbraw/zinc/08/82/10/563088210.db2.gz	AZECRFZJQUGVNH-UHFFFAOYSA-N	0	1	429.436	2.385	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N[C@H]3C2=O)CC1	ZINC000040429158	563103160	/nfs/dbraw/zinc/10/31/60/563103160.db2.gz	MXCBBGOZSWZFBD-FCHUYYIVSA-N	0	1	435.528	2.295	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3csc4ccc(Cl)cc43)[C@@H]2SC1	ZINC000040434464	563103702	/nfs/dbraw/zinc/10/37/02/563103702.db2.gz	UZTZFVASHBYFNE-IGCXYCKISA-N	0	1	437.930	2.313	1	0		IEAFMN
Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H]1COc2cccc(N3CCN(C)CC3)c2C1	ZINC000043200768	563119332	/nfs/dbraw/zinc/11/93/32/563119332.db2.gz	WHEVXUDXFKTGQS-SFHVURJKSA-N	0	1	432.528	2.061	1	0		IEAFMN
O=C(C1CCN(Cc2cc[n+]([O-])cc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000058583217	563145245	/nfs/dbraw/zinc/14/52/45/563145245.db2.gz	WHGSLILCHNXIMS-UHFFFAOYSA-N	0	1	435.528	2.039	1	0		IEAFMN
Cn1cc(C(N)=O)c2c1-c1nc(NCc3cccc(N4CCN(C)CC4)c3)ncc1CC2	ZINC000064513329	563154255	/nfs/dbraw/zinc/15/42/55/563154255.db2.gz	XZAWRWLSBCORLH-UHFFFAOYSA-N	0	1	431.544	2.044	1	0		IEAFMN
CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1	ZINC000071315990	563161893	/nfs/dbraw/zinc/16/18/93/563161893.db2.gz	GDDUFVNKGWWPLA-GIWBLDEGSA-N	0	1	433.570	2.114	1	0		IEAFMN
CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1	ZINC000095601720	563192968	/nfs/dbraw/zinc/19/29/68/563192968.db2.gz	QQFSTJQIEWEGPW-QGZVFWFLSA-N	0	1	431.484	2.201	3	0		IEAFMN
COC(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2cnc[nH]2)c2ccccc2C1	ZINC000013803052	563008083	/nfs/dbraw/zinc/00/80/83/563008083.db2.gz	OHMRZXBSMHSGPK-UHFFFAOYSA-N	0	1	426.498	2.407	1	0		IEAFMN
CCCN1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1	ZINC000020557096	563025092	/nfs/dbraw/zinc/02/50/92/563025092.db2.gz	JRTLWWYENLRGAW-UHFFFAOYSA-N	0	1	425.581	2.323	3	0		IEAFMN
O=C(CCC(=O)N1CCC[C@@H]1c1nn[nH]n1)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013029	563028498	/nfs/dbraw/zinc/02/84/98/563028498.db2.gz	XUVSXSUAQLBJIY-WOJBJXKFSA-N	0	1	446.511	2.254	1	0		IEAFMN
CC(C)N(C(=O)CCNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1)C(C)C	ZINC000035902127	563090386	/nfs/dbraw/zinc/09/03/86/563090386.db2.gz	MCEPSUNNZLCDNS-LLVKDONJSA-N	0	1	435.365	2.139	1	0		IEAFMN
C[N@H+]1CC[C@@]23c4c5c(OC(=O)C(C)(C)C)ccc4C[C@@H]1[C@@H]2C=C[C@H](OS(=O)(=O)[O-])[C@@H]3O5	ZINC000036221931	563092149	/nfs/dbraw/zinc/09/21/49/563092149.db2.gz	NEUKRIIKAHFBFQ-JYSMHPMOSA-N	0	1	449.525	2.271	1	0	in-vivo	IEAFMN
CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)nn2)CC1	ZINC000040421449	563102240	/nfs/dbraw/zinc/10/22/40/563102240.db2.gz	ICOZIEPSZZFGLW-UYRXBGFRSA-N	0	1	430.468	2.211	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc4cccc(Cl)c4c3)[C@H]2SC1	ZINC000040434230	563103640	/nfs/dbraw/zinc/10/36/40/563103640.db2.gz	DOFARGWBIZFTGU-ZRGWGRIASA-N	0	1	431.901	2.252	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3csc4cc(Cl)ccc43)[C@H]2SC1	ZINC000040434344	563103692	/nfs/dbraw/zinc/10/36/92/563103692.db2.gz	ZMOWOBXWTQPZDP-IIYDPXPESA-N	0	1	437.930	2.313	1	0		IEAFMN
CN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1	ZINC000011817183	562979380	/nfs/dbraw/zinc/97/93/80/562979380.db2.gz	PYCPGEWDUQFUDF-QHCPKHFHSA-N	0	1	445.567	2.401	3	0		IEAFMN
CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccnc3ccccc13)CC2	ZINC000019770705	563023037	/nfs/dbraw/zinc/02/30/37/563023037.db2.gz	BYYVYIJQZFEYFG-HXUWFJFHSA-N	0	1	428.562	2.131	1	0		IEAFMN
O=C(CCC(=O)N1CCC[C@H]1c1nn[nH]n1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000026013051	563028471	/nfs/dbraw/zinc/02/84/71/563028471.db2.gz	XUVSXSUAQLBJIY-PMACEKPBSA-N	0	1	446.511	2.254	1	0		IEAFMN
[NH3+][C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3cccs3)CC[C@H]12)c1ccccc1	ZINC000026295913	563031013	/nfs/dbraw/zinc/03/10/13/563031013.db2.gz	FFCYZYKFZYHCDI-WQVCFCJDSA-N	0	1	429.523	2.326	1	0		IEAFMN
Nc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)s1	ZINC000028563254	563057637	/nfs/dbraw/zinc/05/76/37/563057637.db2.gz	UUCSHEAWLUFBGR-PZJWPPBQSA-N	0	1	449.580	2.492	1	0		IEAFMN
O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(Br)cc3)nc2)C(=O)N1	ZINC000028960399	563070680	/nfs/dbraw/zinc/07/06/80/563070680.db2.gz	CWOIBYBXJSRSGT-UHFFFAOYSA-N	0	1	431.246	2.341	1	0		IEAFMN
CN1CN(C)C(=O)c2c1nc1n2c(=O)c(Cc2ccccc2)c(O)n1Cc1ccccc1	ZINC000034168919	563085765	/nfs/dbraw/zinc/08/57/65/563085765.db2.gz	LJGMAQCGTVMPEW-UHFFFAOYSA-N	0	1	429.480	2.320	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc4cccc(Cl)c4c3)[C@@H]2SC1	ZINC000040434228	563103621	/nfs/dbraw/zinc/10/36/21/563103621.db2.gz	DOFARGWBIZFTGU-CLCXKQKWSA-N	0	1	431.901	2.252	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3csc4ccc(Cl)cc43)[C@@H]2SC1	ZINC000040434461	563103709	/nfs/dbraw/zinc/10/37/09/563103709.db2.gz	UZTZFVASHBYFNE-XNJGSVPQSA-N	0	1	437.930	2.313	1	0		IEAFMN
Nc1cc(Cn2c3ccc(Cl)cc3c(N3CCCNS3(=O)=O)c2C(=O)[O-])cc[nH+]1	ZINC000043204835	563119569	/nfs/dbraw/zinc/11/95/69/563119569.db2.gz	REXSJPCINJATSM-UHFFFAOYSA-N	0	1	435.893	2.063	1	0		IEAFMN
COc1cc(Cc2c[nH+]c(N)nc2N)cc(OCCCC[C@H]2SC(=O)[N-]C2=O)c1OC	ZINC000045229579	563125941	/nfs/dbraw/zinc/12/59/41/563125941.db2.gz	YSOXGQDMAQYTJU-OAHLLOKOSA-N	0	1	447.517	2.150	1	0		IEAFMN
Nn1c(=O)c2cccnc2nc1SCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000059855851	563146807	/nfs/dbraw/zinc/14/68/07/563146807.db2.gz	YHOYHBANAWEKNE-UHFFFAOYSA-N	0	1	447.568	2.358	1	0		IEAFMN
Nn1c(=O)c2c(nc1CCCCN1CCN(c3nc4ccccc4cc3O)CC1)CCCC2	ZINC000064436538	563152948	/nfs/dbraw/zinc/15/29/48/563152948.db2.gz	DQFJTXJCMDYWKL-UHFFFAOYSA-N	0	1	448.571	2.235	1	0		IEAFMN
O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O	ZINC000073138808	563168800	/nfs/dbraw/zinc/16/88/00/563168800.db2.gz	JZKDDDMAINETJS-UHFFFAOYSA-N	0	1	448.451	2.474	1	0		IEAFMN
Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cs1	ZINC000013766352	563005734	/nfs/dbraw/zinc/00/57/34/563005734.db2.gz	LNYPUAWZFHLMGZ-PZJWPPBQSA-N	0	1	449.580	2.492	1	0		IEAFMN
NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1	ZINC000013835299	563012171	/nfs/dbraw/zinc/01/21/71/563012171.db2.gz	PFHNCAAEZAYDFA-UHFFFAOYSA-N	0	1	436.767	2.484	1	0		IEAFMN
C[NH+](C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccc(Cl)c3)[n-]c2=O)s1	ZINC000026576273	563033635	/nfs/dbraw/zinc/03/36/35/563033635.db2.gz	QANNGEWJRYOEGP-LSQIQBGYSA-N	0	1	433.986	2.089	1	0		IEAFMN
O=C1CN(CCCN2CCN(c3ccccc3C(F)(F)F)CC2)C(=O)[C@H]2CCCCN12	ZINC000026716314	563035539	/nfs/dbraw/zinc/03/55/39/563035539.db2.gz	KPTPMCGXJVLCBD-LJQANCHMSA-N	0	1	438.494	2.441	1	0		IEAFMN
O=C1CN(CCCCN2CCN(c3ccccc3C(F)(F)F)CC2)C(=O)[C@@H]2CCCN12	ZINC000026716504	563035543	/nfs/dbraw/zinc/03/55/43/563035543.db2.gz	SGQHIAKHWDPOQC-IBGZPJMESA-N	0	1	438.494	2.441	1	0		IEAFMN
CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1	ZINC000028007501	563049495	/nfs/dbraw/zinc/04/94/95/563049495.db2.gz	BESDARIELJHOEX-UHFFFAOYSA-N	0	1	430.509	2.124	1	0		IEAFMN
O=C([O-])CCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@H+]3C[C@@H]2CC[C@@H]1O	ZINC000028525247	563056657	/nfs/dbraw/zinc/05/66/57/563056657.db2.gz	ILZUPWALMALDJM-STHNKMCASA-N	0	1	425.529	2.455	1	0		IEAFMN
O=C([O-])CCCNC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1O	ZINC000028525247	563056659	/nfs/dbraw/zinc/05/66/59/563056659.db2.gz	ILZUPWALMALDJM-STHNKMCASA-N	0	1	425.529	2.455	1	0		IEAFMN
Cc1cnc(CN2CCn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)o1	ZINC000036518655	563095706	/nfs/dbraw/zinc/09/57/06/563095706.db2.gz	HOESTEKERCFAPI-UHFFFAOYSA-N	0	1	441.463	2.065	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4N[C@H]3C2=O)CC1	ZINC000040429154	563103193	/nfs/dbraw/zinc/10/31/93/563103193.db2.gz	MXCBBGOZSWZFBD-FGZHOGPDSA-N	0	1	435.528	2.295	1	0		IEAFMN
O=C(NCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1	ZINC000045505929	563134821	/nfs/dbraw/zinc/13/48/21/563134821.db2.gz	WWPKBJCPIBCDLA-UHFFFAOYSA-N	0	1	446.438	2.399	1	0		IEAFMN
O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc(N2C=CS(=O)(=O)CC2)c(F)c1	ZINC000003986752	562940409	/nfs/dbraw/zinc/94/04/09/562940409.db2.gz	UXFJGBGEUPRHQH-NSHDSACASA-N	0	1	435.449	2.039	1	0		IEAFMN
COc1ccc(-c2c[nH]c(=O)c(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c2)cn1	ZINC000022935282	563026388	/nfs/dbraw/zinc/02/63/88/563026388.db2.gz	LSBZCOGIERJUBR-UHFFFAOYSA-N	0	1	433.512	2.445	1	0		IEAFMN
C=C1N=C(C)C(C(=O)OC)[C@H](c2ccccc2OCc2nonc2C(N)=O)C1C(=O)OC	ZINC000027626613	563044680	/nfs/dbraw/zinc/04/46/80/563044680.db2.gz	MCHMSWDIWZCSRF-FABDANFUSA-N	0	1	442.428	2.169	1	0		IEAFMN
Cc1cc(CN2CCn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc3C2(C)C)on1	ZINC000036520157	563095822	/nfs/dbraw/zinc/09/58/22/563095822.db2.gz	HQRFQEVXZILSAU-UHFFFAOYSA-N	0	1	441.463	2.065	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc4cc(Cl)ccc4c3)[C@@H]2SC1	ZINC000040434065	563103608	/nfs/dbraw/zinc/10/36/08/563103608.db2.gz	HLNLVZGXLFKQFQ-VCBZYWHSSA-N	0	1	431.901	2.252	1	0		IEAFMN
CCCCN1CCS(=O)(=O)N(Cc2ccccc2Br)C[C@H](C(=O)OC)C1	ZINC000061944754	563151132	/nfs/dbraw/zinc/15/11/32/563151132.db2.gz	ZPJOBNRYVTUMFL-MRXNPFEDSA-N	0	1	447.395	2.486	3	0		IEAFMN
CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])C(C)C)c(OCc2cnc[nH]2)c1)C(=O)[O-]	ZINC000072142509	563164820	/nfs/dbraw/zinc/16/48/20/563164820.db2.gz	JPXKGMXKGGSBMN-AGRHKRQWSA-N	0	1	445.520	2.140	1	0		IEAFMN
Cc1nc2c(nc(-c3ccccc3Cl)n2CCS(C)(=O)=O)c(N2CCN(C)CC2)n1	ZINC000072317522	563168435	/nfs/dbraw/zinc/16/84/35/563168435.db2.gz	SPPGXADLGWQNLS-UHFFFAOYSA-N	0	1	448.980	2.252	1	0		IEAFMN
O=C([O-])C[C@H](NC(=O)c1ccc(CCC(=O)NC2=[NH+]CCCN2)s1)c1ccccc1	ZINC000096299882	563197350	/nfs/dbraw/zinc/19/73/50/563197350.db2.gz	VLJUFTHMYJULLF-INIZCTEOSA-N	0	1	428.514	2.092	1	0		IEAFMN
COc1ccc(-n2c(O)cc(=O)n(NC(=O)[C@H](C)Oc3ccccc3C)c2=S)cc1	ZINC000001863333	562925161	/nfs/dbraw/zinc/92/51/61/562925161.db2.gz	YPGWWWYPDQBJQY-AWEZNQCLSA-N	0	1	427.482	2.353	1	0		IEAFMN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC3)c21	ZINC000002459240	562928022	/nfs/dbraw/zinc/92/80/22/562928022.db2.gz	ALVCKSXIDXYYEL-UHFFFAOYSA-N	0	1	430.368	2.122	3	0		IEAFMN
CC(C)C[NH+]1CCN(C(=O)NCCCOc2ccc3[nH]c4nc(=O)[n-]c-4cc3c2)CC1	ZINC000003790009	562938021	/nfs/dbraw/zinc/93/80/21/562938021.db2.gz	NFZPWESLZNNMSB-UHFFFAOYSA-N	0	1	426.521	2.157	1	0		IEAFMN
COc1cccc(N2CCN(C[C@H](O)COc3cc(OC)c(OC)c(OC)c3)CC2)c1	ZINC000026744531	563036339	/nfs/dbraw/zinc/03/63/39/563036339.db2.gz	ZIIHGZQKSTYQLO-SFHVURJKSA-N	0	1	432.517	2.283	1	0		IEAFMN
CN1CCN(CCn2nc3n(c2=O)-c2ccc(Cl)cc2C(c2ccccc2)=NC3)CC1	ZINC000027330145	563041675	/nfs/dbraw/zinc/04/16/75/563041675.db2.gz	OHSSKCMWGUUDEU-UHFFFAOYSA-N	0	1	436.947	2.286	1	0		IEAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-c3cnccn3)cc[nH]c1-2	ZINC000033820024	563084801	/nfs/dbraw/zinc/08/48/01/563084801.db2.gz	LLAPTZWQRJOKBJ-UHFFFAOYSA-N	0	1	440.463	2.187	1	0		IEAFMN
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1	ZINC000033853083	563084893	/nfs/dbraw/zinc/08/48/93/563084893.db2.gz	VDICSHQGASSQTF-IBGZPJMESA-N	0	1	439.965	2.273	1	0		IEAFMN
CN(C)S(=O)(=O)Oc1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)cc1)C2	ZINC000038147487	563096327	/nfs/dbraw/zinc/09/63/27/563096327.db2.gz	QSPZTSNQZUHYRV-UHFFFAOYSA-N	0	1	431.445	2.421	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3csc4ccc(Cl)cc43)[C@H]2SC1	ZINC000040434459	563103729	/nfs/dbraw/zinc/10/37/29/563103729.db2.gz	UZTZFVASHBYFNE-PBFPGSCMSA-N	0	1	437.930	2.313	1	0		IEAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)[C@@H]1CCc2ccccc2C1	ZINC000040897236	563110549	/nfs/dbraw/zinc/11/05/49/563110549.db2.gz	DITCMTHSYZAUGM-JOCHJYFZSA-N	0	1	432.568	2.336	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4O[C@@H]3C2=O)CC1	ZINC000040980080	563115614	/nfs/dbraw/zinc/11/56/14/563115614.db2.gz	MJAGDZMQLUKTIZ-YADHBBJMSA-N	0	1	436.512	2.261	1	0		IEAFMN
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)NC(C)C)c3F)cc21	ZINC000072182605	563167497	/nfs/dbraw/zinc/16/74/97/563167497.db2.gz	ROIMUIOMYOGCIN-UHFFFAOYSA-N	0	1	440.432	2.152	1	0		IEAFMN
O=c1[nH]/c(=C/c2ccc(OCc3ccccc3)cn2)c(=O)[nH]/c1=C/c1ccc(Cl)cc1	ZINC000005596841	562944386	/nfs/dbraw/zinc/94/43/86/562944386.db2.gz	WPJZPZBORZAEIH-ADYPVIEZSA-N	0	1	431.879	2.348	1	0		IEAFMN
Nc1nc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585801	562995168	/nfs/dbraw/zinc/99/51/68/562995168.db2.gz	UCYOUFWURNXRNU-IRXDYDNUSA-N	0	1	446.515	2.341	1	0		IEAFMN
O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O	ZINC000020102495	563023587	/nfs/dbraw/zinc/02/35/87/563023587.db2.gz	DNATVQWKIMNHCU-UHFFFAOYSA-N	0	1	438.553	2.186	1	0		IEAFMN
CCN1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccc(OC)cc2)CC1	ZINC000022929697	563026317	/nfs/dbraw/zinc/02/63/17/563026317.db2.gz	USKVSCFHOFGDPL-JOCHJYFZSA-N	0	1	436.516	2.186	3	0		IEAFMN
CC[NH+](CC)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[n-]c2=O)s1	ZINC000026575977	563033604	/nfs/dbraw/zinc/03/36/04/563033604.db2.gz	STHLBJKFDIJGPQ-DJTQBEGKSA-N	0	1	427.595	2.216	1	0		IEAFMN
Cc1nc2ccccc2nc1CN(C)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000026962844	563038330	/nfs/dbraw/zinc/03/83/30/563038330.db2.gz	XQIWOORCQIUOJG-QGZVFWFLSA-N	0	1	430.530	2.181	1	0		IEAFMN
O=C1[N-]C(=O)[C@@H](Cc2ccc(N3CCC([NH2+]C[C@H](O)c4cccnc4)CC3)cc2)S1	ZINC000027855175	563047347	/nfs/dbraw/zinc/04/73/47/563047347.db2.gz	AWMGTFQYJPFJJO-VQTJNVASSA-N	0	1	426.542	2.268	1	0		IEAFMN
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1	ZINC000028866103	563067220	/nfs/dbraw/zinc/06/72/20/563067220.db2.gz	QMIUZKMFRCDUKI-UHFFFAOYSA-N	0	1	429.542	2.442	1	0		IEAFMN
Nc1nc2c(cnn2CCN2CCN(c3ccccc3F)CC2)c2nc(-c3ccco3)nn21	ZINC000028891797	563068394	/nfs/dbraw/zinc/06/83/94/563068394.db2.gz	GOGLCSDPHFNNNE-UHFFFAOYSA-N	0	1	447.478	2.278	1	0		IEAFMN
Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1	ZINC000029125693	563074438	/nfs/dbraw/zinc/07/44/38/563074438.db2.gz	NTDUGNWTONHPJW-OAHLLOKOSA-N	0	1	436.434	2.114	1	0		IEAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc2ccccc2n1	ZINC000040891848	563109914	/nfs/dbraw/zinc/10/99/14/563109914.db2.gz	FPAYIMLIUXRMMC-UHFFFAOYSA-N	0	1	429.524	2.393	1	0		IEAFMN
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CCOCC1	ZINC000040954688	563114495	/nfs/dbraw/zinc/11/44/95/563114495.db2.gz	FQVJSQJPMQVZKV-UHFFFAOYSA-N	0	1	425.493	2.086	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4N(C)[C@H]3C2=O)CC1	ZINC000040974241	563115103	/nfs/dbraw/zinc/11/51/03/563115103.db2.gz	JVIAJLYNNPKZAI-DHIUTWEWSA-N	0	1	449.555	2.319	1	0		IEAFMN
Cc1nonc1CN1CCN(c2c3nc(-c4cn(C)nc4C)[nH]c3ncc2Cl)CC1	ZINC000095559989	563182098	/nfs/dbraw/zinc/18/20/98/563182098.db2.gz	VIDAYUVZSUVENI-UHFFFAOYSA-N	0	1	427.900	2.334	1	0		IEAFMN
CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccc(F)cc3)NCc3c[nH]nn3)n(C)n2)ccn1	ZINC000096284436	563197300	/nfs/dbraw/zinc/19/73/00/563197300.db2.gz	JMPSEFXATHMJIG-IBGZPJMESA-N	0	1	449.494	2.121	1	0		IEAFMN
COc1cc2[nH+]c(N3CCN(C(=O)C=C([O-])c4ccccc4)CC3)nc(N)c2cc1OC	ZINC000000600636	562918658	/nfs/dbraw/zinc/91/86/58/562918658.db2.gz	PXWNTBGUQKWMOQ-UHFFFAOYSA-N	0	1	435.484	2.151	1	0		IEAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1c(F)ccc2-c1nnc[nH]1	ZINC000003640138	562937247	/nfs/dbraw/zinc/93/72/47/562937247.db2.gz	UUMXJGKYKDQJGY-UHFFFAOYSA-N	0	1	446.442	2.259	1	0		IEAFMN
COc1ccccc1N1CCN(CCCSc2nc3sccc3c(=O)n2N)CC1	ZINC000013761028	563005087	/nfs/dbraw/zinc/00/50/87/563005087.db2.gz	LFKLURDJIIFJJW-UHFFFAOYSA-N	0	1	431.587	2.485	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4O[C@@H]3C2=O)CC1	ZINC000040980084	563115606	/nfs/dbraw/zinc/11/56/06/563115606.db2.gz	MJAGDZMQLUKTIZ-VXKWHMMOSA-N	0	1	436.512	2.261	1	0		IEAFMN
O=C1OC(=CCn2ncc(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1	ZINC000072142589	563164828	/nfs/dbraw/zinc/16/48/28/563164828.db2.gz	GBOLDKQCLURSSJ-WQRHYEAKSA-N	0	1	433.420	2.018	1	0		IEAFMN
CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F	ZINC000072182493	563167431	/nfs/dbraw/zinc/16/74/31/563167431.db2.gz	YHYVLDHYKISRAD-UHFFFAOYSA-N	0	1	440.432	2.105	1	0		IEAFMN
Nc1nc(N2CCN(Cc3ccnc4ccccc34)CC2)nc2nc(-c3ccco3)nn21	ZINC000013581820	562994658	/nfs/dbraw/zinc/99/46/58/562994658.db2.gz	KOFRUVVYUCYMLY-UHFFFAOYSA-N	0	1	427.472	2.232	1	0		IEAFMN
Nc1nc(N2CCN3[C@@H](COc4ccccc4)CCC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585807	562995076	/nfs/dbraw/zinc/99/50/76/562995076.db2.gz	UIFPQIPWCRZDEB-DLBZAZTESA-N	0	1	446.515	2.484	1	0		IEAFMN
O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCCc1cn[nH]c1	ZINC000013594842	562996569	/nfs/dbraw/zinc/99/65/69/562996569.db2.gz	VLUPMZPKWHAXPC-QHCPKHFHSA-N	0	1	431.540	2.091	3	0		IEAFMN
COC(=O)CN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	ZINC000013682642	563001024	/nfs/dbraw/zinc/00/10/24/563001024.db2.gz	NEWPTCPRMDJVLE-UHFFFAOYSA-N	0	1	444.328	2.430	1	0		IEAFMN
Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cn1	ZINC000013766344	563005676	/nfs/dbraw/zinc/00/56/76/563005676.db2.gz	OBSSMRFDAAAZQM-XUZZJYLKSA-N	0	1	443.551	2.430	1	0		IEAFMN
Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O	ZINC000013782728	563006845	/nfs/dbraw/zinc/00/68/45/563006845.db2.gz	NZTHPWQOSONJAR-UHFFFAOYSA-N	0	1	437.935	2.469	1	0		IEAFMN
C[C@H](c1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1)[C@H](N)C(=O)N1CCCC1	ZINC000014948428	563015576	/nfs/dbraw/zinc/01/55/76/563015576.db2.gz	RBNFQFGZRDJXCB-GWCFXTLKSA-N	0	1	432.424	2.083	1	0		IEAFMN
CCN1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2ccc(OC)cc2)CC1	ZINC000022929695	563026309	/nfs/dbraw/zinc/02/63/09/563026309.db2.gz	USKVSCFHOFGDPL-QFIPXVFZSA-N	0	1	436.516	2.186	3	0		IEAFMN
O[C@@H](COc1ncnc2[nH]cnc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022935819	563026455	/nfs/dbraw/zinc/02/64/55/563026455.db2.gz	FHXMJQFJPPIOBL-OAQYLSRUSA-N	0	1	444.539	2.500	1	0		IEAFMN
O=C1NCN(c2ccccc2)C12CCN(C[C@H]1CN3C(=N1)c1ccccc1NC3=O)CC2	ZINC000026288346	563030847	/nfs/dbraw/zinc/03/08/47/563030847.db2.gz	IAAUPUCMTFTRRE-KRWDZBQOSA-N	0	1	430.512	2.091	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc4cc(Cl)ccc4c3)[C@H]2SC1	ZINC000040434063	563103560	/nfs/dbraw/zinc/10/35/60/563103560.db2.gz	HLNLVZGXLFKQFQ-ZRGWGRIASA-N	0	1	431.901	2.252	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3csc4cc(Cl)ccc43)[C@@H]2SC1	ZINC000040434346	563103684	/nfs/dbraw/zinc/10/36/84/563103684.db2.gz	ZMOWOBXWTQPZDP-IGCXYCKISA-N	0	1	437.930	2.313	1	0		IEAFMN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H]([NH3+])c3ccc4cccc(Cl)c4c3)[C@@H]2SC1	ZINC000040434232	563103724	/nfs/dbraw/zinc/10/37/24/563103724.db2.gz	DOFARGWBIZFTGU-VCBZYWHSSA-N	0	1	431.901	2.252	1	0		IEAFMN
O=C(NC1CCCCCC1)[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O	ZINC000040934665	563112471	/nfs/dbraw/zinc/11/24/71/563112471.db2.gz	YGUZZLBTRCUATL-YRXWBPOGSA-N	0	1	431.360	2.411	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N(C)[C@H]3C2=O)CC1	ZINC000040974243	563115121	/nfs/dbraw/zinc/11/51/21/563115121.db2.gz	JVIAJLYNNPKZAI-XZOQPEGZSA-N	0	1	449.555	2.319	1	0		IEAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N(C)[C@@H]3C2=O)CC1	ZINC000058553309	563144466	/nfs/dbraw/zinc/14/44/66/563144466.db2.gz	JVIAJLYNNPKZAI-GOTSBHOMSA-N	0	1	449.555	2.319	1	0		IEAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1ccc(F)cc1	ZINC000064448762	563153521	/nfs/dbraw/zinc/15/35/21/563153521.db2.gz	XFGKFNGSCUSDRY-UHFFFAOYSA-N	0	1	432.446	2.262	1	0		IEAFMN
NC(=O)c1c2c(sc1NC(=O)Cn1nc(C(F)(F)F)c3c1CCCC3)CNCC2	ZINC000064540656	563155358	/nfs/dbraw/zinc/15/53/58/563155358.db2.gz	HBJCPWMPXRGXDO-UHFFFAOYSA-N	0	1	427.452	2.226	1	0		IEAFMN