smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1	ZINC000216743065	222667781	/nfs/dbraw/zinc/66/77/81/222667781.db2.gz	XMWTYWXGMZDOOC-NRFANRHFSA-N	0	0	368.864	4.670	40	70		FJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218059524	222676918	/nfs/dbraw/zinc/67/69/18/222676918.db2.gz	OOWHHJMNJIHBMQ-KSSFIOAISA-N	0	0	371.502	4.594	40	70		FJIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218663274	222685646	/nfs/dbraw/zinc/68/56/46/222685646.db2.gz	XYBJSICKUNUPRS-QGZVFWFLSA-N	0	0	369.505	4.509	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)c1cc2cccc(OC)c2o1	ZINC000218616093	206371675	/nfs/dbraw/zinc/37/16/75/206371675.db2.gz	ZFJMSIKKAMQQPT-UHFFFAOYSA-N	0	0	367.445	4.593	40	70		FJIBRN
COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218663355	206373160	/nfs/dbraw/zinc/37/31/60/206373160.db2.gz	XYBJSICKUNUPRS-KRWDZBQOSA-N	0	0	369.505	4.509	40	70		FJIBRN
COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1	ZINC000218663472	206373367	/nfs/dbraw/zinc/37/33/67/206373367.db2.gz	ZVJFWMNHHRFBKS-QGZVFWFLSA-N	0	0	369.505	4.509	40	70		FJIBRN
Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218730553	206373840	/nfs/dbraw/zinc/37/38/40/206373840.db2.gz	TUWPVPSDJASWCB-LJQANCHMSA-N	0	0	353.462	4.573	40	70		FJIBRN
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(C)C)cc21	ZINC000217762297	206366477	/nfs/dbraw/zinc/36/64/77/206366477.db2.gz	RTHJGGLJFWUCLO-UHFFFAOYSA-N	0	0	351.446	4.962	40	70		FJIBRN
CC[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(C)cc1C	ZINC000218319528	206368603	/nfs/dbraw/zinc/36/86/03/206368603.db2.gz	CQCDCSXWTFJNFE-HXUWFJFHSA-N	0	0	372.468	4.684	40	70		FJIBRN
CC(C)Oc1cccc(CNC(=O)CCSc2ccc(Cl)cc2)c1	ZINC000218085757	519782943	/nfs/dbraw/zinc/78/29/43/519782943.db2.gz	YSLHRRWEYXKWPY-UHFFFAOYSA-N	0	0	363.910	4.926	40	70		FJIBRN
CC[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218142694	522506623	/nfs/dbraw/zinc/50/66/23/522506623.db2.gz	WGOAOFANTXLOBP-YJBOKZPZSA-N	0	0	373.518	4.760	40	70		FJIBRN
COc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	ZINC000217905239	523933870	/nfs/dbraw/zinc/93/38/70/523933870.db2.gz	HQZPJCMBYJWJSV-YRNVUSSQSA-N	0	0	364.272	4.764	40	70		FJIBRN
COc1ccccc1CCCNC(=O)c1cc2c(ccc3ccccc23)o1	ZINC000218496656	524402746	/nfs/dbraw/zinc/40/27/46/524402746.db2.gz	MGMSLXQQVDFWOA-UHFFFAOYSA-N	0	0	359.425	4.957	40	70		FJIBRN
Cc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000218023550	524642873	/nfs/dbraw/zinc/64/28/73/524642873.db2.gz	PAUKXRACINVWGP-IBGZPJMESA-N	0	0	369.530	4.955	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000217952672	525426741	/nfs/dbraw/zinc/42/67/41/525426741.db2.gz	KLJXKHOOMZKLBV-SPQRHKFCSA-N	0	0	351.490	4.889	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	ZINC000217906792	525434273	/nfs/dbraw/zinc/43/42/73/525434273.db2.gz	FPSAOQZDRAROKH-XYYIANASSA-N	0	0	364.272	4.899	40	70		FJIBRN
O=C(CSc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1	ZINC000217980184	527032468	/nfs/dbraw/zinc/03/24/68/527032468.db2.gz	ITFFYIUGORWPPM-UHFFFAOYSA-N	0	0	354.302	4.835	40	70		FJIBRN
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2cccc(Cl)c2)c1	ZINC000216720991	568136487	/nfs/dbraw/zinc/13/64/87/568136487.db2.gz	KIEZYUCCZCNLCS-HXUWFJFHSA-N	0	0	354.837	4.675	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccc(CC)cc3)c2)cc1	ZINC000216730284	568136948	/nfs/dbraw/zinc/13/69/48/568136948.db2.gz	YVWVGZXSGAZAFK-HSZRJFAPSA-N	0	0	362.473	4.974	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(F)cc2)c1	ZINC000216733690	568137095	/nfs/dbraw/zinc/13/70/95/568137095.db2.gz	ZMSAKKFJORNVSX-OAQYLSRUSA-N	0	0	352.409	4.551	40	70		FJIBRN
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	ZINC000216740248	568137322	/nfs/dbraw/zinc/13/73/22/568137322.db2.gz	FSNYTEMJDQDFEH-NRFANRHFSA-N	0	0	352.865	4.970	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccccc1	ZINC000218059273	568216092	/nfs/dbraw/zinc/21/60/92/568216092.db2.gz	BARWLLPWTZZTCP-MAUKXSAKSA-N	0	0	355.503	4.894	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218058891	568216107	/nfs/dbraw/zinc/21/61/07/568216107.db2.gz	VKEPBONRLGUJJN-CRAIPNDOSA-N	0	0	355.503	4.894	40	70		FJIBRN
COc1ccc2c(c1)[C@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	ZINC000218082209	568216657	/nfs/dbraw/zinc/21/66/57/568216657.db2.gz	HYWIIJICYURZAM-GOSISDBHSA-N	0	0	371.502	4.596	40	70		FJIBRN
O=C(c1cc2c(ccc3ccccc23)o1)N1CCN(Cc2ccccc2)CC1	ZINC000218494291	568236584	/nfs/dbraw/zinc/23/65/84/568236584.db2.gz	DVHHIIVFMRTKCY-UHFFFAOYSA-N	0	0	370.452	4.544	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	ZINC000218677753	568245583	/nfs/dbraw/zinc/24/55/83/568245583.db2.gz	CCNZQDYBJPVDNE-KDOFPFPSSA-N	0	0	373.880	4.834	40	70		FJIBRN
Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C	ZINC000218720551	568248046	/nfs/dbraw/zinc/24/80/46/568248046.db2.gz	RRFNQWWZOMZFJX-UHFFFAOYSA-N	0	0	359.425	4.552	40	70		FJIBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(C(C)C)cc1	ZINC000218761299	206372852	/nfs/dbraw/zinc/37/28/52/206372852.db2.gz	QEWYUYAUVGCLAB-QFIPXVFZSA-N	0	0	369.505	4.725	40	70		FJIBRN
Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1	ZINC000218692798	206373595	/nfs/dbraw/zinc/37/35/95/206373595.db2.gz	VPCFCMYMEGSZKC-UHFFFAOYSA-N	0	0	359.425	4.552	40	70		FJIBRN
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1	ZINC000217917663	206365508	/nfs/dbraw/zinc/36/55/08/206365508.db2.gz	UFTQRKQYFJHJOG-DTQAZKPQSA-N	0	0	357.409	4.578	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(Br)cc1	ZINC000217869721	206365936	/nfs/dbraw/zinc/36/59/36/206365936.db2.gz	HJKUFTDWTGQUTL-INIZCTEOSA-N	0	0	374.278	4.790	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSc1ccc(C)cc1	ZINC000217978039	206367486	/nfs/dbraw/zinc/36/74/86/206367486.db2.gz	BFIPGFYFBQESMX-GOSISDBHSA-N	0	0	371.502	4.514	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccccc1	ZINC000218082004	206367838	/nfs/dbraw/zinc/36/78/38/206367838.db2.gz	JGRQAHVITBPXIY-GOSISDBHSA-N	0	0	355.503	4.896	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)SCc2ccccc2)cc1	ZINC000218067772	519779046	/nfs/dbraw/zinc/77/90/46/519779046.db2.gz	HXNFLLUWUFCBMZ-SFHVURJKSA-N	0	0	371.546	4.845	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)Sc2ccccc2)c1	ZINC000218056812	519782820	/nfs/dbraw/zinc/78/28/20/519782820.db2.gz	FYCSHYIFEQHHMS-KRWDZBQOSA-N	0	0	357.519	4.703	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)[C@H](C)SCc2ccccc2)c1	ZINC000218067578	519782863	/nfs/dbraw/zinc/78/28/63/519782863.db2.gz	ZONDXRQFDWEMGJ-SFHVURJKSA-N	0	0	371.546	4.845	40	70		FJIBRN
CC(C)Oc1cccc(CNC(=O)CSCc2cccc(Cl)c2)c1	ZINC000218034330	519783117	/nfs/dbraw/zinc/78/31/17/519783117.db2.gz	SGPWRMPVPOKTQN-UHFFFAOYSA-N	0	0	363.910	4.677	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccccc1	ZINC000218057656	520473484	/nfs/dbraw/zinc/47/34/84/520473484.db2.gz	ZGRYATDKJAALMM-QGZVFWFLSA-N	0	0	357.519	4.705	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)[C@H](C)Sc1ccccc1	ZINC000218057726	520474063	/nfs/dbraw/zinc/47/40/63/520474063.db2.gz	ZGRYATDKJAALMM-KRWDZBQOSA-N	0	0	357.519	4.705	40	70		FJIBRN
CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OCC(C)C)cc21	ZINC000217766007	521399961	/nfs/dbraw/zinc/39/99/61/521399961.db2.gz	KQLSDVYLJDLRQZ-UHFFFAOYSA-N	0	0	366.461	4.605	40	70		FJIBRN
CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218116299	522393826	/nfs/dbraw/zinc/39/38/26/522393826.db2.gz	ZKVAIVWZYXTOPM-FQEVSTJZSA-N	0	0	357.519	4.813	40	70		FJIBRN
COc1cc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OC(C)C	ZINC000218135343	522427043	/nfs/dbraw/zinc/42/70/43/522427043.db2.gz	GMUZGPPBHFDMKT-MRXNPFEDSA-N	0	0	373.518	4.588	40	70		FJIBRN
CC[C@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	ZINC000218072443	522490465	/nfs/dbraw/zinc/49/04/65/522490465.db2.gz	UCWWMPCIPWMSCZ-QAPCUYQASA-N	0	0	373.518	4.593	40	70		FJIBRN
CC[C@@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(C)c(C)c1	ZINC000218319332	522686382	/nfs/dbraw/zinc/68/63/82/522686382.db2.gz	AAVFCIVCIHBIBL-HXUWFJFHSA-N	0	0	372.468	4.684	40	70		FJIBRN
CC[C@@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1	ZINC000218018120	522692340	/nfs/dbraw/zinc/69/23/40/522692340.db2.gz	DECSXDBIWSXVPS-GOSISDBHSA-N	0	0	373.518	4.513	40	70		FJIBRN
CN(CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000217910161	522752525	/nfs/dbraw/zinc/75/25/25/522752525.db2.gz	OTMWJKMZJXLBRJ-PKNBQFBNSA-N	0	0	363.288	4.649	40	70		FJIBRN
COc1ccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	ZINC000218538969	523934883	/nfs/dbraw/zinc/93/48/83/523934883.db2.gz	GYMVRNLWYDRKAF-UHFFFAOYSA-N	0	0	353.506	4.674	40	70		FJIBRN
COc1ccc(CCCNC(=O)c2cc3c(ccc4ccccc34)o2)cc1	ZINC000218496874	523937508	/nfs/dbraw/zinc/93/75/08/523937508.db2.gz	JRYGKXTVEOTXMC-UHFFFAOYSA-N	0	0	359.425	4.957	40	70		FJIBRN
COc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	ZINC000217987044	523937682	/nfs/dbraw/zinc/93/76/82/523937682.db2.gz	IBPDTPUFPSFHNE-AWEZNQCLSA-N	0	0	363.910	4.578	40	70		FJIBRN
COc1ccccc1CCCNC(=O)CCc1ccc(C(C)(C)C)cc1	ZINC000218538771	524399180	/nfs/dbraw/zinc/39/91/80/524399180.db2.gz	WFQOXFLMDAKTEW-UHFFFAOYSA-N	0	0	353.506	4.674	40	70		FJIBRN
Cc1ccccc1CSCC(=O)NCCCc1ccc(OC(C)C)cc1	ZINC000218015115	525181720	/nfs/dbraw/zinc/18/17/20/525181720.db2.gz	DXUCBOQUOQXWHO-UHFFFAOYSA-N	0	0	371.546	4.764	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000217906508	525305549	/nfs/dbraw/zinc/30/55/49/525305549.db2.gz	VIYUOXOWCSKRHB-QSYFUGGGSA-N	0	0	364.272	4.899	40	70		FJIBRN
O=C(CSCc1ccccc1)Nc1ccccc1C(=O)c1ccccc1	ZINC000218008629	527025645	/nfs/dbraw/zinc/02/56/45/527025645.db2.gz	WSYDYPHWAMIAQP-UHFFFAOYSA-N	0	0	361.466	4.790	40	70		FJIBRN
CCc1ccccc1-n1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1	ZINC000216674760	568134461	/nfs/dbraw/zinc/13/44/61/568134461.db2.gz	FWTLYOZEMLVQFY-QFIPXVFZSA-N	0	0	362.498	4.814	40	70		FJIBRN
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccc(Cl)cc2)c1	ZINC000216721091	568136485	/nfs/dbraw/zinc/13/64/85/568136485.db2.gz	DFQLQQGTWFKUIJ-HXUWFJFHSA-N	0	0	354.837	4.675	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(F)cc2)c1	ZINC000216733655	568137115	/nfs/dbraw/zinc/13/71/15/568137115.db2.gz	ZMSAKKFJORNVSX-NRFANRHFSA-N	0	0	352.409	4.551	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218058944	568216079	/nfs/dbraw/zinc/21/60/79/568216079.db2.gz	VKEPBONRLGUJJN-YJBOKZPZSA-N	0	0	355.503	4.894	40	70		FJIBRN
COc1cccc2cc(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)oc21	ZINC000218616961	568242532	/nfs/dbraw/zinc/24/25/32/568242532.db2.gz	XMOMMZMMEBAKKX-INIZCTEOSA-N	0	0	365.429	4.782	40	70		FJIBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1	ZINC000218673470	568245473	/nfs/dbraw/zinc/24/54/73/568245473.db2.gz	XKIOPRHCHULQGK-CYBMUJFWSA-N	0	0	352.261	4.510	40	70		FJIBRN
COc1ccccc1N1CCO[C@@H]1c1ccn(-c2ccccc2Cl)c1	ZINC000216720879	222667697	/nfs/dbraw/zinc/66/76/97/222667697.db2.gz	KVGCKEDSCDKVTJ-HXUWFJFHSA-N	0	0	354.837	4.675	40	70		FJIBRN
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccccc2Cl)c1	ZINC000216720929	222668085	/nfs/dbraw/zinc/66/80/85/222668085.db2.gz	KVGCKEDSCDKVTJ-FQEVSTJZSA-N	0	0	354.837	4.675	40	70		FJIBRN
CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218741903	222687993	/nfs/dbraw/zinc/68/79/93/222687993.db2.gz	QVFRNAXMITYUQR-OAQYLSRUSA-N	0	0	355.478	4.739	40	70		FJIBRN
Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000218731718	206373001	/nfs/dbraw/zinc/37/30/01/206373001.db2.gz	KHIGRHOUWRQRQN-HXUWFJFHSA-N	0	0	367.489	4.881	40	70		FJIBRN
CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	ZINC000218756454	206373820	/nfs/dbraw/zinc/37/38/20/206373820.db2.gz	IACORABGSUXVLY-NRFANRHFSA-N	0	0	369.461	4.813	40	70		FJIBRN
CC1(C)C[C@@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1	ZINC000218736133	206373961	/nfs/dbraw/zinc/37/39/61/206373961.db2.gz	RNSVMIOIVULYFA-GOSISDBHSA-N	0	0	373.880	4.918	40	70		FJIBRN
O=C(CCCOc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1	ZINC000218735227	206374008	/nfs/dbraw/zinc/37/40/08/206374008.db2.gz	ASQJYMDVIZHQOD-UHFFFAOYSA-N	0	0	366.288	4.901	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccccc1	ZINC000218059212	206367353	/nfs/dbraw/zinc/36/73/53/206367353.db2.gz	BARWLLPWTZZTCP-YJBOKZPZSA-N	0	0	355.503	4.894	40	70		FJIBRN
CC[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(C)cc1C	ZINC000218319622	206368563	/nfs/dbraw/zinc/36/85/63/206368563.db2.gz	CQCDCSXWTFJNFE-FQEVSTJZSA-N	0	0	372.468	4.684	40	70		FJIBRN
CC(C)c1ccc(CCCNC(=O)c2ccccc2Br)cc1	ZINC000218223333	519835547	/nfs/dbraw/zinc/83/55/47/519835547.db2.gz	VGNFBOLAVCNOQD-UHFFFAOYSA-N	0	0	360.295	4.935	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)CSCc1ccc(C)cc1	ZINC000218022399	520473529	/nfs/dbraw/zinc/47/35/29/520473529.db2.gz	FTQXYKDJUVZZSV-UHFFFAOYSA-N	0	0	371.546	4.766	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)[C@H](C)SCc1ccccc1	ZINC000218068634	520474332	/nfs/dbraw/zinc/47/43/32/520474332.db2.gz	AIMRANSIHSNIEQ-SFHVURJKSA-N	0	0	371.546	4.846	40	70		FJIBRN
CCOc1ccc(CCCNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	ZINC000218138462	520946842	/nfs/dbraw/zinc/94/68/42/520946842.db2.gz	VCGALSVXEMGCCY-KRWDZBQOSA-N	0	0	357.519	4.623	40	70		FJIBRN
COc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000217986635	524402026	/nfs/dbraw/zinc/40/20/26/524402026.db2.gz	YYRCCTURJXPVPS-CQSZACIVSA-N	0	0	363.910	4.578	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	ZINC000218540324	525427987	/nfs/dbraw/zinc/42/79/87/525427987.db2.gz	FXQWTXQHFNYGOM-GOSISDBHSA-N	0	0	353.506	4.809	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2	ZINC000218016854	526201389	/nfs/dbraw/zinc/20/13/89/526201389.db2.gz	ORMYWWUGAXKOMM-LJQANCHMSA-N	0	0	369.530	4.955	40	70		FJIBRN
O=C(CSCc1ccc(Cl)cc1)NCCCc1ccccc1Cl	ZINC000218041398	527023467	/nfs/dbraw/zinc/02/34/67/527023467.db2.gz	DTGQZMHDGAMTRW-UHFFFAOYSA-N	0	0	368.329	4.976	40	70		FJIBRN
O=C(CSCc1ccccc1Cl)NCCCc1ccccc1Cl	ZINC000218027795	527025437	/nfs/dbraw/zinc/02/54/37/527025437.db2.gz	QLXSMKGEOMTOME-UHFFFAOYSA-N	0	0	368.329	4.976	40	70		FJIBRN
CCc1ccc(-n2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)c2)cc1	ZINC000216674435	568134419	/nfs/dbraw/zinc/13/44/19/568134419.db2.gz	HQNZPERVDLQYMZ-QFIPXVFZSA-N	0	0	362.498	4.814	40	70		FJIBRN
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	ZINC000216723786	568136583	/nfs/dbraw/zinc/13/65/83/568136583.db2.gz	AZUPVBHXVPTFFU-FQEVSTJZSA-N	0	0	354.837	4.675	40	70		FJIBRN
CC[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	ZINC000217856723	568207610	/nfs/dbraw/zinc/20/76/10/568207610.db2.gz	PXUCJXJOSFEKHL-HNNXBMFYSA-N	0	0	368.260	4.892	40	70		FJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)CSc1ccc(C)cc1)CC(C)(C)O2	ZINC000217977784	568213478	/nfs/dbraw/zinc/21/34/78/568213478.db2.gz	CTTOIARBMFMGEA-SFHVURJKSA-N	0	0	371.502	4.514	40	70		FJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218059381	568216065	/nfs/dbraw/zinc/21/60/65/568216065.db2.gz	OOWHHJMNJIHBMQ-KDOFPFPSSA-N	0	0	371.502	4.594	40	70		FJIBRN
COC(=O)c1c(C)n(C(=O)COc2ccc(C(C)C)cc2)c2ccccc21	ZINC000216722740	571141381	/nfs/dbraw/zinc/14/13/81/571141381.db2.gz	VDUPABHCUKUBMM-UHFFFAOYSA-N	0	0	365.429	4.579	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)cc1	ZINC000216732898	222667865	/nfs/dbraw/zinc/66/78/65/222667865.db2.gz	GWDKWWMHAINLRQ-NRFANRHFSA-N	0	0	352.409	4.551	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)cc1	ZINC000216738458	222668047	/nfs/dbraw/zinc/66/80/47/222668047.db2.gz	XKCALWOMYMWNIW-QHCPKHFHSA-N	0	0	362.473	4.715	40	70		FJIBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl	ZINC000218673295	222684864	/nfs/dbraw/zinc/68/48/64/222684864.db2.gz	VHAYLJIPZVNNKE-CYBMUJFWSA-N	0	0	352.261	4.510	40	70		FJIBRN
CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1	ZINC000218682969	206373110	/nfs/dbraw/zinc/37/31/10/206373110.db2.gz	ZSFUZNMKOALHQD-MRXNPFEDSA-N	0	0	359.897	4.980	40	70		FJIBRN
CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1OCC	ZINC000217854707	206365705	/nfs/dbraw/zinc/36/57/05/206365705.db2.gz	QADHFVFXFHPWCL-UHFFFAOYSA-N	0	0	368.260	4.721	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccc(Cl)cc1	ZINC000217960601	206367533	/nfs/dbraw/zinc/36/75/33/206367533.db2.gz	LATUFEHDUZPXQE-PMQIGOLDSA-N	0	0	371.864	4.780	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)cc1	ZINC000217958751	519778969	/nfs/dbraw/zinc/77/89/69/519778969.db2.gz	SKYHZWCBCKISHF-NTEUORMPSA-N	0	0	357.881	4.889	40	70		FJIBRN
CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OCC	ZINC000218135229	520993871	/nfs/dbraw/zinc/99/38/71/520993871.db2.gz	ODUUWNLBQPRMPO-INIZCTEOSA-N	0	0	373.518	4.589	40	70		FJIBRN
CC[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218142537	522492132	/nfs/dbraw/zinc/49/21/32/522492132.db2.gz	WGOAOFANTXLOBP-QAPCUYQASA-N	0	0	373.518	4.760	40	70		FJIBRN
CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218116219	522692289	/nfs/dbraw/zinc/69/22/89/522692289.db2.gz	ZKVAIVWZYXTOPM-HXUWFJFHSA-N	0	0	357.519	4.813	40	70		FJIBRN
COc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	ZINC000217986976	523936653	/nfs/dbraw/zinc/93/66/53/523936653.db2.gz	IBPDTPUFPSFHNE-CQSZACIVSA-N	0	0	363.910	4.578	40	70		FJIBRN
COc1ccc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1	ZINC000218110556	524123918	/nfs/dbraw/zinc/12/39/18/524123918.db2.gz	ZKSWQURTJYFMTH-UHFFFAOYSA-N	0	0	356.274	4.874	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1	ZINC000218540151	525305097	/nfs/dbraw/zinc/30/50/97/525305097.db2.gz	BMPKRBCEHSXLRD-GOSISDBHSA-N	0	0	353.506	4.809	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	ZINC000218104393	525434606	/nfs/dbraw/zinc/43/46/06/525434606.db2.gz	VAAUDVCSLRKRPV-LUJYGJGBSA-N	0	0	361.441	4.712	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1C)CC(C)(C)O2	ZINC000218016758	526181005	/nfs/dbraw/zinc/18/10/05/526181005.db2.gz	ORMYWWUGAXKOMM-IBGZPJMESA-N	0	0	369.530	4.955	40	70		FJIBRN
COc1ccc2cc(-c3nnc(-c4ccc(Cl)cc4)o3)c(C)nc2c1	ZINC000216665124	568133922	/nfs/dbraw/zinc/13/39/22/568133922.db2.gz	PHKHZCGFFRYNFU-UHFFFAOYSA-N	0	0	351.793	4.922	40	70		FJIBRN
CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2Cc2ccccc2)c1	ZINC000216674811	568134458	/nfs/dbraw/zinc/13/44/58/568134458.db2.gz	FWTLYOZEMLVQFY-JOCHJYFZSA-N	0	0	362.498	4.814	40	70		FJIBRN
Brc1cccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)c1	ZINC000216710680	568136014	/nfs/dbraw/zinc/13/60/14/568136014.db2.gz	KUYSMLWSVZBMFE-LJQANCHMSA-N	0	0	369.262	4.775	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)cc1	ZINC000216738505	568137287	/nfs/dbraw/zinc/13/72/87/568137287.db2.gz	XKCALWOMYMWNIW-HSZRJFAPSA-N	0	0	362.473	4.715	40	70		FJIBRN
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	ZINC000216740122	568137319	/nfs/dbraw/zinc/13/73/19/568137319.db2.gz	ISPBELFNGUEJPL-NRFANRHFSA-N	0	0	352.865	4.970	40	70		FJIBRN
COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218059442	568216069	/nfs/dbraw/zinc/21/60/69/568216069.db2.gz	OOWHHJMNJIHBMQ-RDTXWAMCSA-N	0	0	371.502	4.594	40	70		FJIBRN
COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218059606	568216089	/nfs/dbraw/zinc/21/60/89/568216089.db2.gz	OOWHHJMNJIHBMQ-KBXCAEBGSA-N	0	0	371.502	4.594	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccccc1	ZINC000218059796	568216172	/nfs/dbraw/zinc/21/61/72/568216172.db2.gz	MPTNMEJDFWBHBO-RDTXWAMCSA-N	0	0	371.502	4.594	40	70		FJIBRN
C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000218068155	222677367	/nfs/dbraw/zinc/67/73/67/222677367.db2.gz	WFHZUFCKYNDDOF-MAUKXSAKSA-N	0	0	355.503	4.727	40	70		FJIBRN
COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000218663655	206373154	/nfs/dbraw/zinc/37/31/54/206373154.db2.gz	XWHOATGQXNLVSR-QGZVFWFLSA-N	0	0	369.505	4.509	40	70		FJIBRN
COC(=O)c1cn(C(=O)COc2cc(C)ccc2C(C)C)c2ccccc12	ZINC000218739850	206373316	/nfs/dbraw/zinc/37/33/16/206373316.db2.gz	UOZWHFMISDSYOJ-UHFFFAOYSA-N	0	0	365.429	4.579	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000218666507	206373651	/nfs/dbraw/zinc/37/36/51/206373651.db2.gz	HBLBFGOYOMPJCT-ROUUACIJSA-N	0	0	369.505	4.644	40	70		FJIBRN
CC(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1	ZINC000218100505	519718102	/nfs/dbraw/zinc/71/81/02/519718102.db2.gz	UDBCLKYPPWHXCP-HMMYKYKNSA-N	0	0	374.440	4.597	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)CSc1ccc(C)cc1	ZINC000217976678	520474043	/nfs/dbraw/zinc/47/40/43/520474043.db2.gz	SSKHAOPDKGUEAB-UHFFFAOYSA-N	0	0	357.519	4.625	40	70		FJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccccc1Cl	ZINC000217903761	521446767	/nfs/dbraw/zinc/44/67/67/521446767.db2.gz	SXRYTDRWRCKWKK-MDZDMXLPSA-N	0	0	373.865	4.513	40	70		FJIBRN
COc1ccccc1CCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000217986724	524401728	/nfs/dbraw/zinc/40/17/28/524401728.db2.gz	YYRCCTURJXPVPS-AWEZNQCLSA-N	0	0	363.910	4.578	40	70		FJIBRN
Cc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000218023459	524643216	/nfs/dbraw/zinc/64/32/16/524643216.db2.gz	PAUKXRACINVWGP-LJQANCHMSA-N	0	0	369.530	4.955	40	70		FJIBRN
Cc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218022159	524643737	/nfs/dbraw/zinc/64/37/37/524643737.db2.gz	KUIYQMOMJJVJKH-SFHVURJKSA-N	0	0	355.503	4.647	40	70		FJIBRN
Cc1ccc(SCC(=O)NCCCc2cccc(OC(C)C)c2)cc1	ZINC000217975974	525645385	/nfs/dbraw/zinc/64/53/85/525645385.db2.gz	IACDXDFSCODPQL-UHFFFAOYSA-N	0	0	357.519	4.623	40	70		FJIBRN
O=C(CSCc1ccc(Cl)cc1)NCCCc1ccc(Cl)cc1	ZINC000218041502	527022928	/nfs/dbraw/zinc/02/29/28/527022928.db2.gz	GHIPGGNPLWQXOX-UHFFFAOYSA-N	0	0	368.329	4.976	40	70		FJIBRN
O=C1CS[C@H](c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1	ZINC000216673211	568134291	/nfs/dbraw/zinc/13/42/91/568134291.db2.gz	NUQUODQDAUHKSK-HXUWFJFHSA-N	0	0	368.889	4.905	40	70		FJIBRN
COc1cccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	ZINC000216723628	568136601	/nfs/dbraw/zinc/13/66/01/568136601.db2.gz	GZZIWNCYPJORIS-HXUWFJFHSA-N	0	0	354.837	4.675	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3ccc(C)cc3)c2)c1	ZINC000216739416	568137262	/nfs/dbraw/zinc/13/72/62/568137262.db2.gz	QMQLJAFXQWZFCF-HSZRJFAPSA-N	0	0	362.473	4.715	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)cc1	ZINC000216741215	568137309	/nfs/dbraw/zinc/13/73/09/568137309.db2.gz	NYDACNSGACNXFH-HSZRJFAPSA-N	0	0	362.473	4.715	40	70		FJIBRN
C[C@H](SCc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000218068300	568216326	/nfs/dbraw/zinc/21/63/26/568216326.db2.gz	WFHZUFCKYNDDOF-YJBOKZPZSA-N	0	0	355.503	4.727	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1Br	ZINC000218221930	568222845	/nfs/dbraw/zinc/22/28/45/568222845.db2.gz	YXUAYRYSNLGKEP-MRXNPFEDSA-N	0	0	374.278	4.790	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2	ZINC000218726834	568248312	/nfs/dbraw/zinc/24/83/12/568248312.db2.gz	DZJUWSVRRXMUJQ-IBGZPJMESA-N	0	0	353.462	4.573	40	70		FJIBRN
O=C(CCCOc1ccc(Cl)cc1)NCCCc1ccccc1Cl	ZINC000218735169	568248874	/nfs/dbraw/zinc/24/88/74/568248874.db2.gz	NKOJZHIRFMHKMH-UHFFFAOYSA-N	0	0	366.288	4.901	40	70		FJIBRN
COc1ccccc1N1CCO[C@H]1c1ccn(-c2ccc(Cl)cc2)c1	ZINC000216721137	222667851	/nfs/dbraw/zinc/66/78/51/222667851.db2.gz	DFQLQQGTWFKUIJ-FQEVSTJZSA-N	0	0	354.837	4.675	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000218677988	222686783	/nfs/dbraw/zinc/68/67/83/222686783.db2.gz	CCNZQDYBJPVDNE-KBXCAEBGSA-N	0	0	373.880	4.834	40	70		FJIBRN
Cc1cc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)cc(C)c1Cl	ZINC000218709467	222687027	/nfs/dbraw/zinc/68/70/27/222687027.db2.gz	KNKJPXYXVUGJQG-HNNXBMFYSA-N	0	0	363.860	4.612	40	70		FJIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(C)cc1C	ZINC000218758943	206373168	/nfs/dbraw/zinc/37/31/68/206373168.db2.gz	WHSZALVCOBVWNR-LEWJYISDSA-N	0	0	355.478	4.737	40	70		FJIBRN
COc1ccc(OCCCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1	ZINC000218740479	206373248	/nfs/dbraw/zinc/37/32/48/206373248.db2.gz	VWTWWZIDQDSXSG-UHFFFAOYSA-N	0	0	369.461	4.814	40	70		FJIBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000218675543	206373769	/nfs/dbraw/zinc/37/37/69/206373769.db2.gz	IXKRQVSQKXFYEN-DYVFJYSZSA-N	0	0	359.853	4.526	40	70		FJIBRN
CC[C@H](NC(=O)[C@H](CC)Oc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218759037	206373797	/nfs/dbraw/zinc/37/37/97/206373797.db2.gz	WHSZALVCOBVWNR-SFTDATJTSA-N	0	0	355.478	4.737	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1	ZINC000217959266	206367177	/nfs/dbraw/zinc/36/71/77/206367177.db2.gz	BHLZEYHHSBXCOL-SDNWHVSQSA-N	0	0	357.881	4.891	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1Br)CC(C)(C)O2	ZINC000218221780	206369443	/nfs/dbraw/zinc/36/94/43/206369443.db2.gz	YLBZCHPEDAJXBH-MRXNPFEDSA-N	0	0	374.278	4.790	40	70		FJIBRN
CCCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1cccnc1	ZINC000217766837	520899342	/nfs/dbraw/zinc/89/93/42/520899342.db2.gz	RTFWMBIDFSBFGH-UHFFFAOYSA-N	0	0	366.461	4.749	40	70		FJIBRN
COc1ccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000217951004	523933010	/nfs/dbraw/zinc/93/30/10/523933010.db2.gz	VUKLYWBKXGUFMJ-LFIBNONCSA-N	0	0	351.490	4.755	40	70		FJIBRN
COc1ccc(CSCC(=O)Nc2ccc(OC3CCCC3)cc2)cc1	ZINC000218113881	524123906	/nfs/dbraw/zinc/12/39/06/524123906.db2.gz	FLGHJUGFBYJKLB-UHFFFAOYSA-N	0	0	371.502	4.889	40	70		FJIBRN
Cc1ccccc1CSCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000218015537	525181035	/nfs/dbraw/zinc/18/10/35/525181035.db2.gz	YDLFRIVYVCXJHQ-SFHVURJKSA-N	0	0	355.503	4.647	40	70		FJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	ZINC000218082117	525573659	/nfs/dbraw/zinc/57/36/59/525573659.db2.gz	HYWIIJICYURZAM-SFHVURJKSA-N	0	0	371.502	4.596	40	70		FJIBRN
O=C(NCCCN1CCCc2ccccc21)c1ccc(-c2ccccc2)cc1	ZINC000218167558	527666703	/nfs/dbraw/zinc/66/67/03/527666703.db2.gz	XZRIMXDLDZSDMI-UHFFFAOYSA-N	0	0	370.496	4.926	40	70		FJIBRN
CCc1ccc(-n2ccc([C@H]3SCC(=O)N3Cc3ccccc3)c2)cc1	ZINC000216674482	568134404	/nfs/dbraw/zinc/13/44/04/568134404.db2.gz	HQNZPERVDLQYMZ-JOCHJYFZSA-N	0	0	362.498	4.814	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@H]2OCCN2c2ccc(CC)cc2)c1	ZINC000216731068	568136952	/nfs/dbraw/zinc/13/69/52/568136952.db2.gz	IOIQPLYPSULEMO-HSZRJFAPSA-N	0	0	362.473	4.974	40	70		FJIBRN
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)cc1	ZINC000216737216	568137209	/nfs/dbraw/zinc/13/72/09/568137209.db2.gz	KBYDZCIURXWSCF-NRFANRHFSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(C)cc2)c1	ZINC000216739256	568137249	/nfs/dbraw/zinc/13/72/49/568137249.db2.gz	JWBWPLXTYLCCDR-QHCPKHFHSA-N	0	0	362.473	4.715	40	70		FJIBRN
FC(F)(F)c1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1	ZINC000216746486	568137490	/nfs/dbraw/zinc/13/74/90/568137490.db2.gz	DCMMTECXLANNBU-SFHVURJKSA-N	0	0	362.351	4.620	40	70		FJIBRN
FC(F)(F)c1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1	ZINC000216747214	568137493	/nfs/dbraw/zinc/13/74/93/568137493.db2.gz	FOPAUXSOGZWPFB-GOSISDBHSA-N	0	0	362.351	4.620	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccccc1Cl	ZINC000217902278	568210208	/nfs/dbraw/zinc/21/02/08/568210208.db2.gz	WMHBUIOHCHQRAB-MZEUMTGBSA-N	0	0	371.864	4.780	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218058827	568216106	/nfs/dbraw/zinc/21/61/06/568216106.db2.gz	VKEPBONRLGUJJN-QAPCUYQASA-N	0	0	355.503	4.894	40	70		FJIBRN
COc1cccc2cc(C(=O)NCCCc3cccc(OC(C)C)c3)oc21	ZINC000218615446	568242467	/nfs/dbraw/zinc/24/24/67/568242467.db2.gz	KJHLCTSGYMTDDN-UHFFFAOYSA-N	0	0	367.445	4.591	40	70		FJIBRN
CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1	ZINC000218683055	568245858	/nfs/dbraw/zinc/24/58/58/568245858.db2.gz	ZSFUZNMKOALHQD-INIZCTEOSA-N	0	0	359.897	4.980	40	70		FJIBRN
COc1ccc(OCCCC(=O)NCCCc2ccc(C(C)C)cc2)cc1	ZINC000218743639	568249406	/nfs/dbraw/zinc/24/94/06/568249406.db2.gz	AIXIRKCCXOGJPY-UHFFFAOYSA-N	0	0	369.505	4.727	40	70		FJIBRN
Cc1ccc(C(C)C)c(OCCSc2nnc3[nH]c4ccccc4n32)c1	ZINC000218251541	571171463	/nfs/dbraw/zinc/17/14/63/571171463.db2.gz	ZHAQUFIPSVEYLE-UHFFFAOYSA-N	0	0	366.490	4.814	40	70		FJIBRN
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	ZINC000216737284	222668074	/nfs/dbraw/zinc/66/80/74/222668074.db2.gz	OCTLCTLECZDAGE-OAQYLSRUSA-N	0	0	352.865	4.970	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccccc1	ZINC000218059096	222677852	/nfs/dbraw/zinc/67/78/52/222677852.db2.gz	BARWLLPWTZZTCP-QAPCUYQASA-N	0	0	355.503	4.894	40	70		FJIBRN
CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218742084	222687868	/nfs/dbraw/zinc/68/78/68/222687868.db2.gz	KIVVQJKGNHZTFS-NRFANRHFSA-N	0	0	355.478	4.739	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	ZINC000218677830	206373005	/nfs/dbraw/zinc/37/30/05/206373005.db2.gz	CCNZQDYBJPVDNE-RDTXWAMCSA-N	0	0	373.880	4.834	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccccc1)CC(C)(C)O2	ZINC000218726903	206373016	/nfs/dbraw/zinc/37/30/16/206373016.db2.gz	DZJUWSVRRXMUJQ-LJQANCHMSA-N	0	0	353.462	4.573	40	70		FJIBRN
Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1	ZINC000218685148	206373753	/nfs/dbraw/zinc/37/37/53/206373753.db2.gz	MFVOMXNKNFDDDA-QGZVFWFLSA-N	0	0	359.425	4.632	40	70		FJIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCc1ccc(C(C)C)cc1	ZINC000218761258	206373889	/nfs/dbraw/zinc/37/38/89/206373889.db2.gz	QEWYUYAUVGCLAB-JOCHJYFZSA-N	0	0	369.505	4.725	40	70		FJIBRN
Cc1ccc(SCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000217977484	206366882	/nfs/dbraw/zinc/36/68/82/206366882.db2.gz	BZPCJZISXSMRMW-SFHVURJKSA-N	0	0	355.503	4.814	40	70		FJIBRN
C[C@@H](SCc1ccccc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000218068085	206367275	/nfs/dbraw/zinc/36/72/75/206367275.db2.gz	WFHZUFCKYNDDOF-CRAIPNDOSA-N	0	0	355.503	4.727	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccccc2Cl)c1	ZINC000217900217	519782651	/nfs/dbraw/zinc/78/26/51/519782651.db2.gz	SJRLFKHPFBKDER-OUKQBFOZSA-N	0	0	357.881	4.889	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)CSCc1ccccc1C	ZINC000218015741	520474249	/nfs/dbraw/zinc/47/42/49/520474249.db2.gz	ZYCPDNGFOQBLGO-UHFFFAOYSA-N	0	0	371.546	4.766	40	70		FJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1	ZINC000217963197	521444535	/nfs/dbraw/zinc/44/45/35/521444535.db2.gz	JGIOAMDSLRDIKG-JXMROGBWSA-N	0	0	373.865	4.513	40	70		FJIBRN
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1	ZINC000217925655	522352083	/nfs/dbraw/zinc/35/20/83/522352083.db2.gz	RANHAHYTSAKANH-DLENHJPASA-N	0	0	353.462	4.601	40	70		FJIBRN
CC[C@@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)c(OC)c1	ZINC000217902787	522657368	/nfs/dbraw/zinc/65/73/68/522657368.db2.gz	PDWPNKFAUIEEHZ-DPCFLFMUSA-N	0	0	359.853	4.638	40	70		FJIBRN
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)cc1C	ZINC000217925755	522657727	/nfs/dbraw/zinc/65/77/27/522657727.db2.gz	ADZMZBCKZWUWSZ-VSRDTVRMSA-N	0	0	353.462	4.601	40	70		FJIBRN
CC[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218142466	522757412	/nfs/dbraw/zinc/75/74/12/522757412.db2.gz	WGOAOFANTXLOBP-CRAIPNDOSA-N	0	0	373.518	4.760	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000217989508	525304796	/nfs/dbraw/zinc/30/47/96/525304796.db2.gz	USWYPIHWXYYICF-CABCVRRESA-N	0	0	363.910	4.713	40	70		FJIBRN
COc1cccc(CCCNC(=O)CCc2ccc(C(C)(C)C)cc2)c1	ZINC000218538873	525885533	/nfs/dbraw/zinc/88/55/33/525885533.db2.gz	SRZZBRUKUUTUCT-UHFFFAOYSA-N	0	0	353.506	4.674	40	70		FJIBRN
COc1cccc(CCCNC(=O)CCSc2ccc(Cl)cc2)c1	ZINC000218086799	525886917	/nfs/dbraw/zinc/88/69/17/525886917.db2.gz	VUWVALREOBYSHM-UHFFFAOYSA-N	0	0	363.910	4.580	40	70		FJIBRN
O=C(CSc1ccc(Cl)cc1)NCCCc1ccccc1Cl	ZINC000217980071	527033238	/nfs/dbraw/zinc/03/32/38/527033238.db2.gz	VXXIUICTQWARNC-UHFFFAOYSA-N	0	0	354.302	4.835	40	70		FJIBRN
COc1cccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	ZINC000216723673	568136616	/nfs/dbraw/zinc/13/66/16/568136616.db2.gz	GZZIWNCYPJORIS-FQEVSTJZSA-N	0	0	354.837	4.675	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(Br)cc1	ZINC000217869783	568208403	/nfs/dbraw/zinc/20/84/03/568208403.db2.gz	HJKUFTDWTGQUTL-MRXNPFEDSA-N	0	0	374.278	4.790	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C=C/c1ccccc1Cl	ZINC000217902346	568210170	/nfs/dbraw/zinc/21/01/70/568210170.db2.gz	WMHBUIOHCHQRAB-VEGGFIAOSA-N	0	0	371.864	4.780	40	70		FJIBRN
Cc1ccc(SCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218148208	568218899	/nfs/dbraw/zinc/21/88/99/568218899.db2.gz	VAZAPXWXBZJICW-SFHVURJKSA-N	0	0	355.503	4.896	40	70		FJIBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1Cl	ZINC000218673383	568245423	/nfs/dbraw/zinc/24/54/23/568245423.db2.gz	VHAYLJIPZVNNKE-ZDUSSCGKSA-N	0	0	352.261	4.510	40	70		FJIBRN
CC(C)(NC(=O)c1nn(CCCCCF)c2ccccc21)c1ccccc1	ZINC000218770760	571050316	/nfs/dbraw/zinc/05/03/16/571050316.db2.gz	XSHGVIPHMOTDCS-UHFFFAOYSA-N	0	0	367.468	4.841	40	70	in-vitro	FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	ZINC000218677484	222687023	/nfs/dbraw/zinc/68/70/23/222687023.db2.gz	VFNXYYKVPIOSIB-RDTXWAMCSA-N	0	0	373.880	4.834	40	70		FJIBRN
COc1cccc2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)oc21	ZINC000218615345	206371331	/nfs/dbraw/zinc/37/13/31/206371331.db2.gz	RDFXOJJPZZHPEP-UHFFFAOYSA-N	0	0	371.392	4.925	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000218666234	206372836	/nfs/dbraw/zinc/37/28/36/206372836.db2.gz	HBLBFGOYOMPJCT-QZTJIDSGSA-N	0	0	369.505	4.644	40	70		FJIBRN
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(F)cc1	ZINC000218663160	206373972	/nfs/dbraw/zinc/37/39/72/206373972.db2.gz	XWLXSIYLHTYTGV-INIZCTEOSA-N	0	0	357.469	4.640	40	70		FJIBRN
Cc1ccc(NC(=S)NC(=O)[C@@]23C[C@H]4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1	ZINC000217710334	206365427	/nfs/dbraw/zinc/36/54/27/206365427.db2.gz	YFDHSYLOSKBZMO-JSLIGUPSSA-N	0	0	356.535	4.805	40	70		FJIBRN
CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OCC	ZINC000218135154	520991813	/nfs/dbraw/zinc/99/18/13/520991813.db2.gz	ODUUWNLBQPRMPO-MRXNPFEDSA-N	0	0	373.518	4.589	40	70		FJIBRN
CC[C@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218024755	522394043	/nfs/dbraw/zinc/39/40/43/522394043.db2.gz	CMJICHMXTUGTBA-SFHVURJKSA-N	0	0	373.518	4.513	40	70		FJIBRN
COc1cc(CNC(=O)CCSc2ccc(C)cc2)ccc1OC(C)C	ZINC000218146745	522411059	/nfs/dbraw/zinc/41/10/59/522411059.db2.gz	KHLFJDNNTMZMEN-UHFFFAOYSA-N	0	0	373.518	4.589	40	70		FJIBRN
CC[C@@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218150526	522677522	/nfs/dbraw/zinc/67/75/22/522677522.db2.gz	MIMYCRKNGMCBBX-GOSISDBHSA-N	0	0	373.518	4.762	40	70		FJIBRN
CC[C@@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218116444	522692453	/nfs/dbraw/zinc/69/24/53/522692453.db2.gz	HTBIZBXZUJIPGK-HXUWFJFHSA-N	0	0	357.519	4.813	40	70		FJIBRN
COc1ccc(/C=C/C(=O)NCCCc2ccc(C(C)C)cc2)cc1OC	ZINC000217927045	523390261	/nfs/dbraw/zinc/39/02/61/523390261.db2.gz	RCDFZMCYHRBKFY-GXDHUFHOSA-N	0	0	367.489	4.589	40	70		FJIBRN
COc1ccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	ZINC000218102590	523932930	/nfs/dbraw/zinc/93/29/30/523932930.db2.gz	UTZJTQFLKWSLOR-OQKWZONESA-N	0	0	361.441	4.578	40	70		FJIBRN
COc1ccc(CSCC(=O)NCCCc2ccc(C(C)C)cc2)cc1	ZINC000218118697	524123157	/nfs/dbraw/zinc/12/31/57/524123157.db2.gz	WRHCXEZXWNSQGD-UHFFFAOYSA-N	0	0	371.546	4.801	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1	ZINC000218104110	525304423	/nfs/dbraw/zinc/30/44/23/525304423.db2.gz	XETOAHCRCKGYTM-ISPGYRLHSA-N	0	0	361.441	4.712	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	ZINC000218540408	525433326	/nfs/dbraw/zinc/43/33/26/525433326.db2.gz	FXQWTXQHFNYGOM-SFHVURJKSA-N	0	0	353.506	4.809	40	70		FJIBRN
O=C1CS[C@@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccccc1	ZINC000216673383	568134311	/nfs/dbraw/zinc/13/43/11/568134311.db2.gz	JSWKOYWFKBDARK-FQEVSTJZSA-N	0	0	368.889	4.905	40	70		FJIBRN
O=C1CS[C@@H](c2ccn(-c3cccc(Cl)c3)c2)N1Cc1ccccc1	ZINC000216673275	568134339	/nfs/dbraw/zinc/13/43/39/568134339.db2.gz	RYZOZLNFFMLCLA-FQEVSTJZSA-N	0	0	368.889	4.905	40	70		FJIBRN
Brc1cccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)c1	ZINC000216710636	568136029	/nfs/dbraw/zinc/13/60/29/568136029.db2.gz	KUYSMLWSVZBMFE-IBGZPJMESA-N	0	0	369.262	4.775	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@@H]2OCCN2c2ccc(CC)cc2)c1	ZINC000216731023	568137001	/nfs/dbraw/zinc/13/70/01/568137001.db2.gz	IOIQPLYPSULEMO-QHCPKHFHSA-N	0	0	362.473	4.974	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)cc1	ZINC000216732943	568137043	/nfs/dbraw/zinc/13/70/43/568137043.db2.gz	GWDKWWMHAINLRQ-OAQYLSRUSA-N	0	0	352.409	4.551	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(C)cc2)c1	ZINC000216739304	568137290	/nfs/dbraw/zinc/13/72/90/568137290.db2.gz	JWBWPLXTYLCCDR-HSZRJFAPSA-N	0	0	362.473	4.715	40	70		FJIBRN
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	ZINC000216743245	568137370	/nfs/dbraw/zinc/13/73/70/568137370.db2.gz	DOKQFAUPVNGSFB-OAQYLSRUSA-N	0	0	368.864	4.670	40	70		FJIBRN
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1	ZINC000216743024	568137404	/nfs/dbraw/zinc/13/74/04/568137404.db2.gz	XMWTYWXGMZDOOC-OAQYLSRUSA-N	0	0	368.864	4.670	40	70		FJIBRN
CC1(C)C[C@@H](NC(=O)CSc2ccc(Cl)cc2)c2ccccc2O1	ZINC000217981205	568213571	/nfs/dbraw/zinc/21/35/71/568213571.db2.gz	WIWHDGDDDSSNAS-MRXNPFEDSA-N	0	0	361.894	4.851	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)CCCOc1ccc(C)cc1	ZINC000218730819	568248547	/nfs/dbraw/zinc/24/85/47/568248547.db2.gz	GGCIRSJCBFPKCD-UHFFFAOYSA-N	0	0	369.505	4.692	40	70		FJIBRN
COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OC	ZINC000218007933	571277094	/nfs/dbraw/zinc/27/70/94/571277094.db2.gz	PJYNFLVTORVUKY-UHFFFAOYSA-N	0	0	356.647	4.732	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSc1ccc(C)cc1	ZINC000217977958	222675897	/nfs/dbraw/zinc/67/58/97/222675897.db2.gz	BFIPGFYFBQESMX-SFHVURJKSA-N	0	0	371.502	4.514	40	70		FJIBRN
O=C(c1cc2c(ccc3ccccc23)o1)N1CCN(c2ccccc2F)CC1	ZINC000218494402	132273143	/nfs/dbraw/zinc/27/31/43/132273143.db2.gz	CCZHXMCMGSNANY-UHFFFAOYSA-N	0	0	374.415	4.688	40	70		FJIBRN
COc1ccccc1CCCNC(=O)/C(=C/c1ccco1)c1ccccc1	ZINC000218102373	524399289	/nfs/dbraw/zinc/39/92/89/524399289.db2.gz	KLGSNKQLJPPLGL-HEHNFIMWSA-N	0	0	361.441	4.578	40	70		FJIBRN
COc1ccccc1CCCNC(=O)CCSc1ccc(Cl)cc1	ZINC000218086692	524400478	/nfs/dbraw/zinc/40/04/78/524400478.db2.gz	LOHTYQPCYGPMRJ-UHFFFAOYSA-N	0	0	363.910	4.580	40	70		FJIBRN
COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000217951105	524965973	/nfs/dbraw/zinc/96/59/73/524965973.db2.gz	AGAGSYFFPHFNSY-YBYKNVHQSA-N	0	0	367.489	4.590	40	70		FJIBRN
Cc1ccccc1CSCC(=O)NCCCc1cccc(OC(C)C)c1	ZINC000218015010	525181836	/nfs/dbraw/zinc/18/18/36/525181836.db2.gz	SEUNIEASHSPSLT-UHFFFAOYSA-N	0	0	371.546	4.764	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1	ZINC000218088416	525434256	/nfs/dbraw/zinc/43/42/56/525434256.db2.gz	ANLVIAPCJWGPGS-HNNXBMFYSA-N	0	0	363.910	4.714	40	70		FJIBRN
COc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2Cl)c1	ZINC000217905146	525886099	/nfs/dbraw/zinc/88/60/99/525886099.db2.gz	UFZQITVJNOSLGZ-CSKARUKUSA-N	0	0	364.272	4.764	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1C	ZINC000218016972	526173443	/nfs/dbraw/zinc/17/34/43/526173443.db2.gz	FQMNSXPRXOCGSI-IBGZPJMESA-N	0	0	369.530	4.955	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccccc1	ZINC000218010430	526173804	/nfs/dbraw/zinc/17/38/04/526173804.db2.gz	NHLXMRVJAOSBBF-SFHVURJKSA-N	0	0	355.503	4.647	40	70		FJIBRN
O=C(/C=C/c1ccc(Cl)cc1Cl)NCCCc1ccc(F)cc1	ZINC000217904941	527607427	/nfs/dbraw/zinc/60/74/27/527607427.db2.gz	UNRJHHLUCIFLSH-UXBLZVDNSA-N	0	0	352.236	4.895	40	70		FJIBRN
O=C1CS[C@H](c2ccn(-c3cccc(Cl)c3)c2)N1Cc1ccccc1	ZINC000216673320	568134324	/nfs/dbraw/zinc/13/43/24/568134324.db2.gz	RYZOZLNFFMLCLA-HXUWFJFHSA-N	0	0	368.889	4.905	40	70		FJIBRN
O=C1CS[C@@H](c2ccn(-c3ccccc3Cl)c2)N1Cc1ccccc1	ZINC000216673165	568134338	/nfs/dbraw/zinc/13/43/38/568134338.db2.gz	NUQUODQDAUHKSK-FQEVSTJZSA-N	0	0	368.889	4.905	40	70		FJIBRN
Brc1ccc(-n2ccc([C@H]3OCCN3c3ccccc3)c2)cc1	ZINC000216710911	568136030	/nfs/dbraw/zinc/13/60/30/568136030.db2.gz	QQKXRELAKKXINB-LJQANCHMSA-N	0	0	369.262	4.775	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@@H]3OCCN3c3ccc(CC)cc3)c2)cc1	ZINC000216730243	568136946	/nfs/dbraw/zinc/13/69/46/568136946.db2.gz	YVWVGZXSGAZAFK-QHCPKHFHSA-N	0	0	362.473	4.974	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccc(F)cc3)c2)c1	ZINC000216733807	568137128	/nfs/dbraw/zinc/13/71/28/568137128.db2.gz	BHPYXGOWISZAGQ-OAQYLSRUSA-N	0	0	352.409	4.551	40	70		FJIBRN
CCc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1	ZINC000216744367	568137437	/nfs/dbraw/zinc/13/74/37/568137437.db2.gz	KLPHNYJYFAHUAI-QHCPKHFHSA-N	0	0	362.473	4.579	40	70		FJIBRN
Cc1ccc(SCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000217977675	568213409	/nfs/dbraw/zinc/21/34/09/568213409.db2.gz	ADOURXCOZHKUHN-SFHVURJKSA-N	0	0	355.503	4.814	40	70		FJIBRN
Cc1ccc(S[C@@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218138190	568218492	/nfs/dbraw/zinc/21/84/92/568218492.db2.gz	MOKAYDGRBFWUPG-YJBOKZPZSA-N	0	0	355.503	4.894	40	70		FJIBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000218675466	568245529	/nfs/dbraw/zinc/24/55/29/568245529.db2.gz	IXKRQVSQKXFYEN-SUMWQHHRSA-N	0	0	359.853	4.526	40	70		FJIBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000218675616	568245544	/nfs/dbraw/zinc/24/55/44/568245544.db2.gz	IXKRQVSQKXFYEN-GUYCJALGSA-N	0	0	359.853	4.526	40	70		FJIBRN
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000218675400	568245560	/nfs/dbraw/zinc/24/55/60/568245560.db2.gz	IXKRQVSQKXFYEN-CXAGYDPISA-N	0	0	359.853	4.526	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccccc1	ZINC000218727001	568248333	/nfs/dbraw/zinc/24/83/33/568248333.db2.gz	GNWUUEPLSSNKBG-IBGZPJMESA-N	0	0	353.462	4.573	40	70		FJIBRN
CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218758779	568250344	/nfs/dbraw/zinc/25/03/44/568250344.db2.gz	WGYPIQCYQURJRE-RTWAWAEBSA-N	0	0	355.478	4.737	40	70		FJIBRN
Cc1[nH]c2ccccc2c(=O)c1CN(C(=O)c1ccccc1)c1ccccc1	ZINC000217429423	571347204	/nfs/dbraw/zinc/34/72/04/571347204.db2.gz	DIBOHROSPBAZDH-UHFFFAOYSA-N	0	0	368.436	4.684	40	70		FJIBRN
Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218730619	209670060	/nfs/dbraw/zinc/67/00/60/209670060.db2.gz	TUWPVPSDJASWCB-IBGZPJMESA-N	0	0	353.462	4.573	40	70		FJIBRN
COc1ccccc1/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1	ZINC000217965524	209661556	/nfs/dbraw/zinc/66/15/56/209661556.db2.gz	YIWBMNBPTQPLED-FOCLMDBBSA-N	0	0	357.409	4.578	40	70		FJIBRN
O=C1CS[C@H](c2ccn(-c3ccc(Cl)cc3)c2)N1Cc1ccccc1	ZINC000216673423	209654408	/nfs/dbraw/zinc/65/44/08/209654408.db2.gz	JSWKOYWFKBDARK-HXUWFJFHSA-N	0	0	368.889	4.905	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)CCSc2ccccc2)c1	ZINC000218080397	519782654	/nfs/dbraw/zinc/78/26/54/519782654.db2.gz	PAZYWBVZQDDRTF-UHFFFAOYSA-N	0	0	357.519	4.705	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)/C=C/c2ccc(Cl)cc2)c1	ZINC000217958659	519782687	/nfs/dbraw/zinc/78/26/87/519782687.db2.gz	MGYUGWCXQPMDQM-JLHYYAGUSA-N	0	0	357.881	4.889	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)[C@@H](C)SCc1ccccc1	ZINC000218068556	520474189	/nfs/dbraw/zinc/47/41/89/520474189.db2.gz	AIMRANSIHSNIEQ-GOSISDBHSA-N	0	0	371.546	4.846	40	70		FJIBRN
CCOc1ccc(CCCNC(=O)CCSc2ccc(C)cc2)cc1	ZINC000218148308	520945331	/nfs/dbraw/zinc/94/53/31/520945331.db2.gz	RTTYVMKHNFOGKU-UHFFFAOYSA-N	0	0	357.519	4.625	40	70		FJIBRN
CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	ZINC000218138379	520947206	/nfs/dbraw/zinc/94/72/06/520947206.db2.gz	VCGALSVXEMGCCY-QGZVFWFLSA-N	0	0	357.519	4.623	40	70		FJIBRN
CCOc1ccc(CCCNC(=O)CSc2ccc(Cl)cc2)cc1	ZINC000217981391	520947787	/nfs/dbraw/zinc/94/77/87/520947787.db2.gz	NTFKBNBPVIUYCJ-UHFFFAOYSA-N	0	0	363.910	4.580	40	70		FJIBRN
CC[C@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)cc1C	ZINC000217925832	522351674	/nfs/dbraw/zinc/35/16/74/522351674.db2.gz	ADZMZBCKZWUWSZ-DLENHJPASA-N	0	0	353.462	4.601	40	70		FJIBRN
CC[C@H](NC(=O)CSCc1ccccc1C)c1ccc(OC)c(OC)c1	ZINC000218018204	522392455	/nfs/dbraw/zinc/39/24/55/522392455.db2.gz	DECSXDBIWSXVPS-SFHVURJKSA-N	0	0	373.518	4.513	40	70		FJIBRN
COc1cc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OC(C)C	ZINC000218135426	522430097	/nfs/dbraw/zinc/43/00/97/522430097.db2.gz	GMUZGPPBHFDMKT-INIZCTEOSA-N	0	0	373.518	4.588	40	70		FJIBRN
CC[C@@H](NC(=O)/C=C/c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1	ZINC000217925575	522658383	/nfs/dbraw/zinc/65/83/83/522658383.db2.gz	RANHAHYTSAKANH-VSRDTVRMSA-N	0	0	353.462	4.601	40	70		FJIBRN
Cc1ccc(CSCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1	ZINC000218021738	524643398	/nfs/dbraw/zinc/64/33/98/524643398.db2.gz	WWZGGWDTFXARMN-UHFFFAOYSA-N	0	0	371.546	4.764	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1	ZINC000218088331	525427569	/nfs/dbraw/zinc/42/75/69/525427569.db2.gz	ANLVIAPCJWGPGS-OAHLLOKOSA-N	0	0	363.910	4.714	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2	ZINC000218010265	526181035	/nfs/dbraw/zinc/18/10/35/526181035.db2.gz	ZXVKEFPJJCCVHR-SFHVURJKSA-N	0	0	355.503	4.647	40	70		FJIBRN
O=C(NCCSCc1ccccc1)/C(=C/c1ccco1)c1ccccc1	ZINC000218095028	526371767	/nfs/dbraw/zinc/37/17/67/526371767.db2.gz	JKNGZFVHPUWKPM-LTGZKZEYSA-N	0	0	363.482	4.870	40	70		FJIBRN
O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccc(Cl)cc1	ZINC000217834574	526956073	/nfs/dbraw/zinc/95/60/73/526956073.db2.gz	JQISHLHBIRXSTO-UHFFFAOYSA-N	0	0	372.679	4.775	40	70		FJIBRN
O=C(CSCc1ccccc1Cl)NCCCc1ccc(Cl)cc1	ZINC000218027912	527025426	/nfs/dbraw/zinc/02/54/26/527025426.db2.gz	LUPGVCMYULWCMP-UHFFFAOYSA-N	0	0	368.329	4.976	40	70		FJIBRN
Brc1ccccc1-n1ccc([C@@H]2OCCN2c2ccccc2)c1	ZINC000216711789	568136057	/nfs/dbraw/zinc/13/60/57/568136057.db2.gz	BTXBPDVPNAWTKB-IBGZPJMESA-N	0	0	369.262	4.775	40	70		FJIBRN
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)c1	ZINC000216723519	568136593	/nfs/dbraw/zinc/13/65/93/568136593.db2.gz	FTWQZXIVILEHPP-HXUWFJFHSA-N	0	0	354.837	4.675	40	70		FJIBRN
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	ZINC000216737326	568137196	/nfs/dbraw/zinc/13/71/96/568137196.db2.gz	OCTLCTLECZDAGE-NRFANRHFSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@H]2OCCN2Cc2cccc(C)c2)c1	ZINC000216742404	568137407	/nfs/dbraw/zinc/13/74/07/568137407.db2.gz	LVQZXAXTXKDUSI-HSZRJFAPSA-N	0	0	362.473	4.715	40	70		FJIBRN
FC(F)(F)c1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1	ZINC000216747173	568137475	/nfs/dbraw/zinc/13/74/75/568137475.db2.gz	FOPAUXSOGZWPFB-SFHVURJKSA-N	0	0	362.351	4.620	40	70		FJIBRN
FC(F)(F)c1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1	ZINC000216746530	568137489	/nfs/dbraw/zinc/13/74/89/568137489.db2.gz	DCMMTECXLANNBU-GOSISDBHSA-N	0	0	362.351	4.620	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Sc1ccccc1)CC(C)(C)O2	ZINC000218059003	568216104	/nfs/dbraw/zinc/21/61/04/568216104.db2.gz	VKEPBONRLGUJJN-MAUKXSAKSA-N	0	0	355.503	4.894	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	ZINC000218081821	568216621	/nfs/dbraw/zinc/21/66/21/568216621.db2.gz	SJKFKESHYICBPP-GOSISDBHSA-N	0	0	355.503	4.896	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCSc1ccccc1	ZINC000218082409	568216669	/nfs/dbraw/zinc/21/66/69/568216669.db2.gz	UXCJSASOLRHPKL-GOSISDBHSA-N	0	0	371.502	4.596	40	70		FJIBRN
COc1cccc2cc(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)oc21	ZINC000218616887	568242505	/nfs/dbraw/zinc/24/25/05/568242505.db2.gz	XMOMMZMMEBAKKX-MRXNPFEDSA-N	0	0	365.429	4.782	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218666050	568244794	/nfs/dbraw/zinc/24/47/94/568244794.db2.gz	RMLXRDSKVIFJCI-MSOLQXFVSA-N	0	0	369.505	4.644	40	70		FJIBRN
Cc1ccc(OCCCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1	ZINC000218730368	568248559	/nfs/dbraw/zinc/24/85/59/568248559.db2.gz	NWWZLKBMMGNOEG-UHFFFAOYSA-N	0	0	369.505	4.690	40	70		FJIBRN
Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000218731627	568248652	/nfs/dbraw/zinc/24/86/52/568248652.db2.gz	YYYSOEADADSHSE-FQEVSTJZSA-N	0	0	367.489	4.881	40	70		FJIBRN
Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000218731563	222686503	/nfs/dbraw/zinc/68/65/03/222686503.db2.gz	YYYSOEADADSHSE-HXUWFJFHSA-N	0	0	367.489	4.881	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccccc1	ZINC000218059155	209662352	/nfs/dbraw/zinc/66/23/52/209662352.db2.gz	BARWLLPWTZZTCP-CRAIPNDOSA-N	0	0	355.503	4.894	40	70		FJIBRN
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccccc1Cl)CC(C)(C)O2	ZINC000217902182	209660979	/nfs/dbraw/zinc/66/09/79/209660979.db2.gz	LQSJSMZQVHPSQX-VEGGFIAOSA-N	0	0	371.864	4.780	40	70		FJIBRN
CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(OC)c(OC)c1	ZINC000217902861	522351841	/nfs/dbraw/zinc/35/18/41/522351841.db2.gz	PDWPNKFAUIEEHZ-JICACKBISA-N	0	0	359.853	4.638	40	70		FJIBRN
COc1ccccc1CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	ZINC000217950796	524400085	/nfs/dbraw/zinc/40/00/85/524400085.db2.gz	MYBPEYIOSIMKNG-DTQAZKPQSA-N	0	0	351.490	4.755	40	70		FJIBRN
Cc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218022083	524643888	/nfs/dbraw/zinc/64/38/88/524643888.db2.gz	KUIYQMOMJJVJKH-GOSISDBHSA-N	0	0	355.503	4.647	40	70		FJIBRN
COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000217951188	524969648	/nfs/dbraw/zinc/96/96/48/524969648.db2.gz	AGAGSYFFPHFNSY-BXUGYJKXSA-N	0	0	367.489	4.590	40	70		FJIBRN
Cc1ccccc1CSCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000218015449	525180941	/nfs/dbraw/zinc/18/09/41/525180941.db2.gz	YDLFRIVYVCXJHQ-GOSISDBHSA-N	0	0	355.503	4.647	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)/C(=C/c1ccco1)c1ccccc1	ZINC000218104200	525310716	/nfs/dbraw/zinc/31/07/16/525310716.db2.gz	XETOAHCRCKGYTM-CQHJRZBDSA-N	0	0	361.441	4.712	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	ZINC000217906707	525427792	/nfs/dbraw/zinc/42/77/92/525427792.db2.gz	FPSAOQZDRAROKH-OAUONFCTSA-N	0	0	364.272	4.899	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	ZINC000217989873	525430535	/nfs/dbraw/zinc/43/05/35/525430535.db2.gz	HIAZORGQCOACRV-CABCVRRESA-N	0	0	363.910	4.713	40	70		FJIBRN
O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl	ZINC000217834438	526956033	/nfs/dbraw/zinc/95/60/33/526956033.db2.gz	DMINZXUPOQSUQE-UHFFFAOYSA-N	0	0	372.679	4.775	40	70		FJIBRN
O=C(CSCc1cccc(Cl)c1)NCCCc1ccc(Cl)cc1	ZINC000218034954	527024505	/nfs/dbraw/zinc/02/45/05/527024505.db2.gz	JKJSBYDPDSXEDJ-UHFFFAOYSA-N	0	0	368.329	4.976	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@H]3OCCN3c3ccc(CC)cc3)c2)c1	ZINC000216731181	568136957	/nfs/dbraw/zinc/13/69/57/568136957.db2.gz	RSOUKJSQHWLUNT-HSZRJFAPSA-N	0	0	362.473	4.974	40	70		FJIBRN
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	ZINC000216740198	568137315	/nfs/dbraw/zinc/13/73/15/568137315.db2.gz	FSNYTEMJDQDFEH-OAQYLSRUSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCOc1ccccc1-n1ccc([C@@H]2OCCN2Cc2cccc(C)c2)c1	ZINC000216742357	568137359	/nfs/dbraw/zinc/13/73/59/568137359.db2.gz	LVQZXAXTXKDUSI-QHCPKHFHSA-N	0	0	362.473	4.715	40	70		FJIBRN
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	ZINC000216743133	568137378	/nfs/dbraw/zinc/13/73/78/568137378.db2.gz	PSVSZDROSJKFBV-OAQYLSRUSA-N	0	0	368.864	4.670	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)c1	ZINC000216742478	568137389	/nfs/dbraw/zinc/13/73/89/568137389.db2.gz	YZRYYEKTSAQLLC-QHCPKHFHSA-N	0	0	362.473	4.715	40	70		FJIBRN
CCc1ccc(-n2ccc([C@H]3OCCN3Cc3ccc(OC)cc3)c2)cc1	ZINC000216744403	568137410	/nfs/dbraw/zinc/13/74/10/568137410.db2.gz	KLPHNYJYFAHUAI-HSZRJFAPSA-N	0	0	362.473	4.579	40	70		FJIBRN
CCc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccc(OC)cc2)c1	ZINC000216744740	568137436	/nfs/dbraw/zinc/13/74/36/568137436.db2.gz	DNBAXTQBOLPAIM-HSZRJFAPSA-N	0	0	362.473	4.579	40	70		FJIBRN
COc1cc2c(cc1OC)C([C@@]13C[C@H]4C[C@@H](C1)C[C@](Cl)(C4)C3)=NCC2	ZINC000217373040	568180326	/nfs/dbraw/zinc/18/03/26/568180326.db2.gz	JZAAMTICFFUNDT-HVEVLSQBSA-N	0	0	359.897	4.627	40	70		FJIBRN
CC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1	ZINC000217856641	568207615	/nfs/dbraw/zinc/20/76/15/568207615.db2.gz	PXUCJXJOSFEKHL-OAHLLOKOSA-N	0	0	368.260	4.892	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccccc1)CC(C)(C)O2	ZINC000218010333	568214567	/nfs/dbraw/zinc/21/45/67/568214567.db2.gz	ZXVKEFPJJCCVHR-GOSISDBHSA-N	0	0	355.503	4.647	40	70		FJIBRN
COc1cccc(N2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)c1	ZINC000216723565	222667666	/nfs/dbraw/zinc/66/76/66/222667666.db2.gz	FTWQZXIVILEHPP-FQEVSTJZSA-N	0	0	354.837	4.675	40	70		FJIBRN
CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218758686	209670437	/nfs/dbraw/zinc/67/04/37/209670437.db2.gz	WGYPIQCYQURJRE-NHCUHLMSSA-N	0	0	355.478	4.737	40	70		FJIBRN
Cc1ccc(SCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000217977397	209663014	/nfs/dbraw/zinc/66/30/14/209663014.db2.gz	BZPCJZISXSMRMW-GOSISDBHSA-N	0	0	355.503	4.814	40	70		FJIBRN
COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1	ZINC000218098887	209662571	/nfs/dbraw/zinc/66/25/71/209662571.db2.gz	WHKIJXFVOJJXIO-XMHGGMMESA-N	0	0	361.397	4.554	40	70		FJIBRN
CC[C@@H](NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	ZINC000218072358	522757436	/nfs/dbraw/zinc/75/74/36/522757436.db2.gz	UCWWMPCIPWMSCZ-CRAIPNDOSA-N	0	0	373.518	4.593	40	70		FJIBRN
Cc1ccc(CSCC(=O)NCCCc2cccc(OC(C)C)c2)cc1	ZINC000218021620	524643307	/nfs/dbraw/zinc/64/33/07/524643307.db2.gz	BFPUBPMWEUKRAX-UHFFFAOYSA-N	0	0	371.546	4.764	40	70		FJIBRN
Cc1ccc(CSCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000218023349	524644006	/nfs/dbraw/zinc/64/40/06/524644006.db2.gz	PEECPMCPOMXUAU-IBGZPJMESA-N	0	0	369.530	4.955	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)CCSc1ccc(Cl)cc1	ZINC000218088133	525305232	/nfs/dbraw/zinc/30/52/32/525305232.db2.gz	GLERIZDABLXNQN-OAHLLOKOSA-N	0	0	363.910	4.714	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	ZINC000217952497	525305315	/nfs/dbraw/zinc/30/53/15/525305315.db2.gz	BZFZWOXDRBNIRN-NKAIQICCSA-N	0	0	351.490	4.889	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000217906593	525310496	/nfs/dbraw/zinc/31/04/96/525310496.db2.gz	VIYUOXOWCSKRHB-PLWJUESGSA-N	0	0	364.272	4.899	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1	ZINC000218104312	525427299	/nfs/dbraw/zinc/42/72/99/525427299.db2.gz	VAAUDVCSLRKRPV-GNFOSXPUSA-N	0	0	361.441	4.712	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	ZINC000217989956	525436502	/nfs/dbraw/zinc/43/65/02/525436502.db2.gz	HIAZORGQCOACRV-GJZGRUSLSA-N	0	0	363.910	4.713	40	70		FJIBRN
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1	ZINC000217986448	525987239	/nfs/dbraw/zinc/98/72/39/525987239.db2.gz	PDUFUNUFPHKTMX-CYBMUJFWSA-N	0	0	351.874	4.709	40	70		FJIBRN
COc1ccc2cc(-c3nnc(-c4ccccc4Cl)o3)c(C)nc2c1	ZINC000216665317	568133991	/nfs/dbraw/zinc/13/39/91/568133991.db2.gz	RIAADCRAOCGQRH-UHFFFAOYSA-N	0	0	351.793	4.922	40	70		FJIBRN
Brc1ccc(-n2ccc([C@@H]3OCCN3c3ccccc3)c2)cc1	ZINC000216710866	568136031	/nfs/dbraw/zinc/13/60/31/568136031.db2.gz	QQKXRELAKKXINB-IBGZPJMESA-N	0	0	369.262	4.775	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(CC)cc3)c2)c1	ZINC000216731135	568136995	/nfs/dbraw/zinc/13/69/95/568136995.db2.gz	RSOUKJSQHWLUNT-QHCPKHFHSA-N	0	0	362.473	4.974	40	70		FJIBRN
Cc1cccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Cl)c2)c1	ZINC000216740007	568137299	/nfs/dbraw/zinc/13/72/99/568137299.db2.gz	DPSLSCMKCAXTGP-NRFANRHFSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCOC(=O)c1ccc(OCc2cccc3ccccc32)c(OCC)c1	ZINC000216852887	568146774	/nfs/dbraw/zinc/14/67/74/568146774.db2.gz	KRTPCSPLLDBEGP-UHFFFAOYSA-N	0	0	350.414	4.994	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)CCSc1ccccc1)CC(C)(C)O2	ZINC000218081737	568216602	/nfs/dbraw/zinc/21/66/02/568216602.db2.gz	SJKFKESHYICBPP-SFHVURJKSA-N	0	0	355.503	4.896	40	70		FJIBRN
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(F)cc1	ZINC000218663075	568244626	/nfs/dbraw/zinc/24/46/26/568244626.db2.gz	XWLXSIYLHTYTGV-MRXNPFEDSA-N	0	0	357.469	4.640	40	70		FJIBRN
COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1	ZINC000218663546	568244635	/nfs/dbraw/zinc/24/46/35/568244635.db2.gz	ZVJFWMNHHRFBKS-KRWDZBQOSA-N	0	0	369.505	4.509	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000218666319	568244827	/nfs/dbraw/zinc/24/48/27/568244827.db2.gz	HBLBFGOYOMPJCT-ZWKOTPCHSA-N	0	0	369.505	4.644	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000218666417	568244854	/nfs/dbraw/zinc/24/48/54/568244854.db2.gz	HBLBFGOYOMPJCT-MSOLQXFVSA-N	0	0	369.505	4.644	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218666132	568244863	/nfs/dbraw/zinc/24/48/63/568244863.db2.gz	RMLXRDSKVIFJCI-ROUUACIJSA-N	0	0	369.505	4.644	40	70		FJIBRN
CC[C@@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218742028	568249354	/nfs/dbraw/zinc/24/93/54/568249354.db2.gz	KIVVQJKGNHZTFS-OAQYLSRUSA-N	0	0	355.478	4.739	40	70		FJIBRN
CC[C@H](NC(=O)[C@H](CC)Oc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218758824	568250355	/nfs/dbraw/zinc/25/03/55/568250355.db2.gz	WGYPIQCYQURJRE-SFTDATJTSA-N	0	0	355.478	4.737	40	70		FJIBRN
CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218758991	568250417	/nfs/dbraw/zinc/25/04/17/568250417.db2.gz	WHSZALVCOBVWNR-RTWAWAEBSA-N	0	0	355.478	4.737	40	70		FJIBRN
CCCCS(=O)(=O)c1ccc2nc(Nc3ccccc3)cc(C)c2c1	ZINC000217431691	571347181	/nfs/dbraw/zinc/34/71/81/571347181.db2.gz	BCSWFDIXIKWNSW-UHFFFAOYSA-N	0	0	354.475	4.861	40	70		FJIBRN
CC(C)c1ccc(CCCNC(=O)c2ccc(Br)cc2)cc1	ZINC000217871393	222675065	/nfs/dbraw/zinc/67/50/65/222675065.db2.gz	LKTSXJRLQPITEH-UHFFFAOYSA-N	0	0	360.295	4.935	40	70		FJIBRN
Cc1ccc(SCCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218148136	222679185	/nfs/dbraw/zinc/67/91/85/222679185.db2.gz	VAZAPXWXBZJICW-GOSISDBHSA-N	0	0	355.503	4.896	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc(Cl)cc1	ZINC000218677905	222686614	/nfs/dbraw/zinc/68/66/14/222686614.db2.gz	CCNZQDYBJPVDNE-KSSFIOAISA-N	0	0	373.880	4.834	40	70		FJIBRN
CC[C@H](NC(=O)CCCOc1ccc(OC)cc1)c1ccc(C)c(C)c1	ZINC000218741954	209670547	/nfs/dbraw/zinc/67/05/47/209670547.db2.gz	QVFRNAXMITYUQR-NRFANRHFSA-N	0	0	355.478	4.739	40	70		FJIBRN
COc1cccc2cc(C(=O)NCCCc3ccc(C(C)C)cc3)oc21	ZINC000218620252	209668346	/nfs/dbraw/zinc/66/83/46/209668346.db2.gz	HXMCCHFDPYSPLW-UHFFFAOYSA-N	0	0	351.446	4.927	40	70		FJIBRN
O=C(NCCCN1CCCc2ccccc21)c1ccc(Cl)cc1Cl	ZINC000217857513	132272732	/nfs/dbraw/zinc/27/27/32/132272732.db2.gz	DOBZRYDAEYXTCP-UHFFFAOYSA-N	0	0	363.288	4.566	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)[C@H](C)Sc2ccccc2)cc1	ZINC000218056972	519778950	/nfs/dbraw/zinc/77/89/50/519778950.db2.gz	HBPAOPKMCPMWEE-KRWDZBQOSA-N	0	0	357.519	4.703	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)/C=C/c2ccccc2Cl)cc1	ZINC000217900327	519778996	/nfs/dbraw/zinc/77/89/96/519778996.db2.gz	HFLSJXYWPXNNNV-SDNWHVSQSA-N	0	0	357.881	4.889	40	70		FJIBRN
CCOc1ccc(CNC(=O)CCSc2ccc(C)cc2)cc1OCC	ZINC000218146679	520984782	/nfs/dbraw/zinc/98/47/82/520984782.db2.gz	VQYHDCXMYBLZEH-UHFFFAOYSA-N	0	0	373.518	4.591	40	70		FJIBRN
CC[C@H](NC(=O)CSCc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218116503	522392990	/nfs/dbraw/zinc/39/29/90/522392990.db2.gz	HTBIZBXZUJIPGK-FQEVSTJZSA-N	0	0	357.519	4.813	40	70		FJIBRN
CC[C@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	ZINC000218072608	522506465	/nfs/dbraw/zinc/50/64/65/522506465.db2.gz	UCWWMPCIPWMSCZ-YJBOKZPZSA-N	0	0	373.518	4.593	40	70		FJIBRN
CN(CCCNC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1	ZINC000218544375	522758056	/nfs/dbraw/zinc/75/80/56/522758056.db2.gz	YBHFZGDRBWCKBU-UHFFFAOYSA-N	0	0	352.522	4.559	40	70		FJIBRN
COc1ccc(/C=C/c2nnc(N)o2)cc1OCc1cccc2ccccc21	ZINC000216906356	523408076	/nfs/dbraw/zinc/40/80/76/523408076.db2.gz	DCDLYZUSXQXKSA-ZRDIBKRKSA-N	0	0	373.412	4.563	40	70		FJIBRN
COc1ccc(OC[C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	ZINC000218539171	524970465	/nfs/dbraw/zinc/97/04/65/524970465.db2.gz	YUUHRAZZMYQYHQ-KRWDZBQOSA-N	0	0	369.505	4.509	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000217989602	525310625	/nfs/dbraw/zinc/31/06/25/525310625.db2.gz	USWYPIHWXYYICF-GJZGRUSLSA-N	0	0	363.910	4.713	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1	ZINC000217952752	525434479	/nfs/dbraw/zinc/43/44/79/525434479.db2.gz	KLJXKHOOMZKLBV-KAPURRDVSA-N	0	0	351.490	4.889	40	70		FJIBRN
Cc1ccc(SCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1	ZINC000217976074	525646765	/nfs/dbraw/zinc/64/67/65/525646765.db2.gz	VCKZPECQOFDMMB-UHFFFAOYSA-N	0	0	357.519	4.623	40	70		FJIBRN
COc1cccc(CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1	ZINC000217950896	525884854	/nfs/dbraw/zinc/88/48/54/525884854.db2.gz	JLJGEJAASWPVSZ-NTCAYCPXSA-N	0	0	351.490	4.755	40	70		FJIBRN
COc1cccc(CCCNC(=O)c2cc3c(ccc4ccccc34)o2)c1	ZINC000218496767	525891024	/nfs/dbraw/zinc/89/10/24/525891024.db2.gz	RESBGSIVXGDDJJ-UHFFFAOYSA-N	0	0	359.425	4.957	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1	ZINC000218010506	526173827	/nfs/dbraw/zinc/17/38/27/526173827.db2.gz	NHLXMRVJAOSBBF-GOSISDBHSA-N	0	0	355.503	4.647	40	70		FJIBRN
Brc1ccccc1-n1ccc([C@H]2OCCN2c2ccccc2)c1	ZINC000216711837	568136072	/nfs/dbraw/zinc/13/60/72/568136072.db2.gz	BTXBPDVPNAWTKB-LJQANCHMSA-N	0	0	369.262	4.775	40	70		FJIBRN
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)c1	ZINC000216740079	568137308	/nfs/dbraw/zinc/13/73/08/568137308.db2.gz	ISPBELFNGUEJPL-OAQYLSRUSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2Cc1ccccc1	ZINC000217761321	568202370	/nfs/dbraw/zinc/20/23/70/568202370.db2.gz	JBSXAZVBHBYTKV-UHFFFAOYSA-N	0	0	351.446	4.964	40	70		FJIBRN
CC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	ZINC000217860128	568207775	/nfs/dbraw/zinc/20/77/75/568207775.db2.gz	SKLWXSCPAXXWKM-SFHVURJKSA-N	0	0	355.478	4.882	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2	ZINC000217869563	568208379	/nfs/dbraw/zinc/20/83/79/568208379.db2.gz	OMHCYOCVMPUKSL-INIZCTEOSA-N	0	0	374.278	4.790	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccccc1	ZINC000218059975	568216167	/nfs/dbraw/zinc/21/61/67/568216167.db2.gz	MPTNMEJDFWBHBO-KBXCAEBGSA-N	0	0	371.502	4.594	40	70		FJIBRN
C[C@@H](SCc1ccccc1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000218068238	568216352	/nfs/dbraw/zinc/21/63/52/568216352.db2.gz	WFHZUFCKYNDDOF-QAPCUYQASA-N	0	0	355.503	4.727	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccccc1	ZINC000218081923	568216665	/nfs/dbraw/zinc/21/66/65/568216665.db2.gz	JGRQAHVITBPXIY-SFHVURJKSA-N	0	0	355.503	4.896	40	70		FJIBRN
Cc1ccc(S[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218138271	568218438	/nfs/dbraw/zinc/21/84/38/568218438.db2.gz	MOKAYDGRBFWUPG-QAPCUYQASA-N	0	0	355.503	4.894	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1Br)CC(C)(C)O2	ZINC000218221715	568222804	/nfs/dbraw/zinc/22/28/04/568222804.db2.gz	YLBZCHPEDAJXBH-INIZCTEOSA-N	0	0	374.278	4.790	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1Br	ZINC000218221854	568222838	/nfs/dbraw/zinc/22/28/38/568222838.db2.gz	YXUAYRYSNLGKEP-INIZCTEOSA-N	0	0	374.278	4.790	40	70		FJIBRN
COc1cccc2cc(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)oc21	ZINC000218617148	568242550	/nfs/dbraw/zinc/24/25/50/568242550.db2.gz	OLDQVERYQLIQDA-INIZCTEOSA-N	0	0	365.429	4.782	40	70		FJIBRN
C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1ccc(Cl)cc1	ZINC000218673543	568245472	/nfs/dbraw/zinc/24/54/72/568245472.db2.gz	XKIOPRHCHULQGK-ZDUSSCGKSA-N	0	0	352.261	4.510	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	ZINC000218677659	568245618	/nfs/dbraw/zinc/24/56/18/568245618.db2.gz	VFNXYYKVPIOSIB-KBXCAEBGSA-N	0	0	373.880	4.834	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccccc1	ZINC000218727074	568248294	/nfs/dbraw/zinc/24/82/94/568248294.db2.gz	GNWUUEPLSSNKBG-LJQANCHMSA-N	0	0	353.462	4.573	40	70		FJIBRN
CC(C)Oc1cccc(CNC(=O)CCCOc2ccc(Cl)cc2)c1	ZINC000218734752	568248888	/nfs/dbraw/zinc/24/88/88/568248888.db2.gz	LZSJNNRENYUULN-UHFFFAOYSA-N	0	0	361.869	4.603	40	70		FJIBRN
Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc2sc(N)nc21	ZINC000216786936	571141676	/nfs/dbraw/zinc/14/16/76/571141676.db2.gz	FQIMDTMLWVYQEV-UHFFFAOYSA-N	0	0	369.490	4.502	40	70		FJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccccc1Cl)CC(C)(C)O2	ZINC000217902127	222674822	/nfs/dbraw/zinc/67/48/22/222674822.db2.gz	LQSJSMZQVHPSQX-MZEUMTGBSA-N	0	0	371.864	4.780	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218665975	222685549	/nfs/dbraw/zinc/68/55/49/222685549.db2.gz	RMLXRDSKVIFJCI-ZWKOTPCHSA-N	0	0	369.505	4.644	40	70		FJIBRN
O=C(CCCOc1ccccc1)Nc1ccccc1C(=O)c1ccccc1	ZINC000218725421	222686756	/nfs/dbraw/zinc/68/67/56/222686756.db2.gz	RZVGJNKANYATJD-UHFFFAOYSA-N	0	0	359.425	4.715	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	ZINC000218677570	222687047	/nfs/dbraw/zinc/68/70/47/222687047.db2.gz	VFNXYYKVPIOSIB-KSSFIOAISA-N	0	0	373.880	4.834	40	70		FJIBRN
CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	ZINC000217961062	209661595	/nfs/dbraw/zinc/66/15/95/209661595.db2.gz	IZLAGKHJGVLIKK-SNQZOLJRSA-N	0	0	359.853	4.638	40	70		FJIBRN
CC(C)(C)c1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1	ZINC000217861050	519019297	/nfs/dbraw/zinc/01/92/97/519019297.db2.gz	NBDZCHFBONQGKW-UHFFFAOYSA-N	0	0	350.506	4.557	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)cc1	ZINC000218067689	519779002	/nfs/dbraw/zinc/77/90/02/519779002.db2.gz	HXNFLLUWUFCBMZ-GOSISDBHSA-N	0	0	371.546	4.845	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)SCc2ccccc2)c1	ZINC000218067506	519782803	/nfs/dbraw/zinc/78/28/03/519782803.db2.gz	ZONDXRQFDWEMGJ-GOSISDBHSA-N	0	0	371.546	4.845	40	70		FJIBRN
CC(C)Oc1cccc(CNC(=O)CSCc2ccccc2Cl)c1	ZINC000218027176	519783226	/nfs/dbraw/zinc/78/32/26/519783226.db2.gz	DCVHWTHNXLSUDW-UHFFFAOYSA-N	0	0	363.910	4.677	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)CCSc1ccccc1	ZINC000218081017	520474026	/nfs/dbraw/zinc/47/40/26/520474026.db2.gz	ZAPMSXNHXFTMDL-UHFFFAOYSA-N	0	0	357.519	4.707	40	70		FJIBRN
CCOc1ccc(CCCNC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000217854939	520947267	/nfs/dbraw/zinc/94/72/67/520947267.db2.gz	DIFAUHRIHFCSDL-UHFFFAOYSA-N	0	0	352.261	4.755	40	70		FJIBRN
CC[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218142617	522767504	/nfs/dbraw/zinc/76/75/04/522767504.db2.gz	WGOAOFANTXLOBP-MAUKXSAKSA-N	0	0	373.518	4.760	40	70		FJIBRN
COc1ccccc1CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl	ZINC000217905033	524398788	/nfs/dbraw/zinc/39/87/88/524398788.db2.gz	SKQJJWDGSGTMFI-PKNBQFBNSA-N	0	0	364.272	4.764	40	70		FJIBRN
COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1	ZINC000218539080	524966628	/nfs/dbraw/zinc/96/66/28/524966628.db2.gz	YUUHRAZZMYQYHQ-QGZVFWFLSA-N	0	0	369.505	4.509	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000217989363	525304747	/nfs/dbraw/zinc/30/47/47/525304747.db2.gz	USWYPIHWXYYICF-HUUCEWRRSA-N	0	0	363.910	4.713	40	70		FJIBRN
Cc1nc(Cc2ccccc2)ncc1-c1nnc(-c2ccccc2Cl)o1	ZINC000216664927	568133959	/nfs/dbraw/zinc/13/39/59/568133959.db2.gz	PTXSWAYVFZMOCJ-UHFFFAOYSA-N	0	0	362.820	4.746	40	70		FJIBRN
COc1cccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)c1	ZINC000216723736	568136568	/nfs/dbraw/zinc/13/65/68/568136568.db2.gz	AZUPVBHXVPTFFU-HXUWFJFHSA-N	0	0	354.837	4.675	40	70		FJIBRN
Cc1cccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)c1	ZINC000216739955	568137320	/nfs/dbraw/zinc/13/73/20/568137320.db2.gz	DPSLSCMKCAXTGP-OAQYLSRUSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCCOc1ccccc1CCCNC(=O)/C=C/c1ccccc1Cl	ZINC000217900919	568210146	/nfs/dbraw/zinc/21/01/46/568210146.db2.gz	VKPJNDZWKMGOSO-BUHFOSPRSA-N	0	0	357.881	4.891	40	70		FJIBRN
CC1(C)C[C@H](NC(=O)CSc2ccc(Cl)cc2)c2ccccc2O1	ZINC000217981275	568213546	/nfs/dbraw/zinc/21/35/46/568213546.db2.gz	WIWHDGDDDSSNAS-INIZCTEOSA-N	0	0	361.894	4.851	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccccc1	ZINC000218059880	568216153	/nfs/dbraw/zinc/21/61/53/568216153.db2.gz	MPTNMEJDFWBHBO-KSSFIOAISA-N	0	0	371.502	4.594	40	70		FJIBRN
Cc1ccc(S[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218138026	568218471	/nfs/dbraw/zinc/21/84/71/568218471.db2.gz	MOKAYDGRBFWUPG-MAUKXSAKSA-N	0	0	355.503	4.894	40	70		FJIBRN
COC(=O)c1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1C	ZINC000218494939	568236574	/nfs/dbraw/zinc/23/65/74/568236574.db2.gz	AEIQWOIVMKDTNO-UHFFFAOYSA-N	0	0	359.381	4.933	40	70		FJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)CC(C)(C)O2	ZINC000218677407	568245582	/nfs/dbraw/zinc/24/55/82/568245582.db2.gz	VFNXYYKVPIOSIB-KDOFPFPSSA-N	0	0	373.880	4.834	40	70		FJIBRN
Cc1cc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)cc(C)c1Cl	ZINC000218709539	568247436	/nfs/dbraw/zinc/24/74/36/568247436.db2.gz	KNKJPXYXVUGJQG-OAHLLOKOSA-N	0	0	363.860	4.612	40	70		FJIBRN
Cc1ccc(OCCCC(=O)NCCCc2cccc(OC(C)C)c2)cc1	ZINC000218730267	568248568	/nfs/dbraw/zinc/24/85/68/568248568.db2.gz	OZDVLRVPMKJPMD-UHFFFAOYSA-N	0	0	369.505	4.690	40	70		FJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218665898	222684995	/nfs/dbraw/zinc/68/49/95/222684995.db2.gz	RMLXRDSKVIFJCI-QZTJIDSGSA-N	0	0	369.505	4.644	40	70		FJIBRN
COc1cccc2cc(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)oc21	ZINC000218617075	222685618	/nfs/dbraw/zinc/68/56/18/222685618.db2.gz	OLDQVERYQLIQDA-MRXNPFEDSA-N	0	0	365.429	4.782	40	70		FJIBRN
CC1(C)C[C@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1	ZINC000218736196	222687428	/nfs/dbraw/zinc/68/74/28/222687428.db2.gz	RNSVMIOIVULYFA-SFHVURJKSA-N	0	0	373.880	4.918	40	70		FJIBRN
CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(OC)c(OC)c1	ZINC000217961147	209661001	/nfs/dbraw/zinc/66/10/01/209661001.db2.gz	IZLAGKHJGVLIKK-CRVDFBCUSA-N	0	0	359.853	4.638	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)cc1	ZINC000218056900	519778980	/nfs/dbraw/zinc/77/89/80/519778980.db2.gz	HBPAOPKMCPMWEE-QGZVFWFLSA-N	0	0	357.519	4.703	40	70		FJIBRN
CC(C)Oc1ccc(CCCNC(=O)CCSc2ccccc2)cc1	ZINC000218080529	519779036	/nfs/dbraw/zinc/77/90/36/519779036.db2.gz	DZVKLUABWZFAEY-UHFFFAOYSA-N	0	0	357.519	4.705	40	70		FJIBRN
CC(C)Oc1cccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)c1	ZINC000218101417	519783036	/nfs/dbraw/zinc/78/30/36/519783036.db2.gz	LCIIQLNTFPPPJK-PXLXIMEGSA-N	0	0	361.441	4.924	40	70		FJIBRN
CC[C@H](NC(=O)CCSc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218150602	522377392	/nfs/dbraw/zinc/37/73/92/522377392.db2.gz	MIMYCRKNGMCBBX-SFHVURJKSA-N	0	0	373.518	4.762	40	70		FJIBRN
COc1ccc(CCCNC(=O)CCSc2ccc(Cl)cc2)cc1	ZINC000218086907	523935083	/nfs/dbraw/zinc/93/50/83/523935083.db2.gz	GUGUGWDMTAIUSG-UHFFFAOYSA-N	0	0	363.910	4.580	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)CCSc1ccc(Cl)cc1	ZINC000218088210	525310742	/nfs/dbraw/zinc/31/07/42/525310742.db2.gz	GLERIZDABLXNQN-HNNXBMFYSA-N	0	0	363.910	4.714	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)CCc1ccc(C(C)(C)C)cc1	ZINC000218540232	525310796	/nfs/dbraw/zinc/31/07/96/525310796.db2.gz	BMPKRBCEHSXLRD-SFHVURJKSA-N	0	0	353.506	4.809	40	70		FJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	ZINC000217989699	525430525	/nfs/dbraw/zinc/43/05/25/525430525.db2.gz	HIAZORGQCOACRV-HUUCEWRRSA-N	0	0	363.910	4.713	40	70		FJIBRN
Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	ZINC000217989783	525436486	/nfs/dbraw/zinc/43/64/86/525436486.db2.gz	HIAZORGQCOACRV-LSDHHAIUSA-N	0	0	363.910	4.713	40	70		FJIBRN
COc1cccc(CCCNC(=O)/C(=C/c2ccco2)c2ccccc2)c1	ZINC000218102488	525886610	/nfs/dbraw/zinc/88/66/10/525886610.db2.gz	SYHVRMVSEWNTAA-OQKWZONESA-N	0	0	361.441	4.578	40	70		FJIBRN
COc1cccc(CCCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1	ZINC000217986893	525890346	/nfs/dbraw/zinc/89/03/46/525890346.db2.gz	VVYAQFDNQHERBP-AWEZNQCLSA-N	0	0	363.910	4.578	40	70		FJIBRN
O=C(CCSc1ccc(Cl)cc1)NCCCc1ccc(F)cc1	ZINC000218086583	526541413	/nfs/dbraw/zinc/54/14/13/526541413.db2.gz	NGNNEWSQQWFCLJ-UHFFFAOYSA-N	0	0	351.874	4.710	40	70		FJIBRN
O=C(CSCc1cccc(Cl)c1)NCCCc1ccccc1Cl	ZINC000218034841	527025063	/nfs/dbraw/zinc/02/50/63/527025063.db2.gz	KIUUGUCGSLYMEG-UHFFFAOYSA-N	0	0	368.329	4.976	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@@H]3OCCN3c3ccc(F)cc3)c2)c1	ZINC000216733756	568137127	/nfs/dbraw/zinc/13/71/27/568137127.db2.gz	BHPYXGOWISZAGQ-NRFANRHFSA-N	0	0	352.409	4.551	40	70		FJIBRN
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Cl)c2)cc1	ZINC000216737167	568137218	/nfs/dbraw/zinc/13/72/18/568137218.db2.gz	KBYDZCIURXWSCF-OAQYLSRUSA-N	0	0	352.865	4.970	40	70		FJIBRN
Cc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	ZINC000216737392	568137223	/nfs/dbraw/zinc/13/72/23/568137223.db2.gz	HUEKVDWZVAEODO-OAQYLSRUSA-N	0	0	352.865	4.970	40	70		FJIBRN
Cc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	ZINC000216737440	568137235	/nfs/dbraw/zinc/13/72/35/568137235.db2.gz	HUEKVDWZVAEODO-NRFANRHFSA-N	0	0	352.865	4.970	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccc(C)cc3)c2)c1	ZINC000216739373	568137252	/nfs/dbraw/zinc/13/72/52/568137252.db2.gz	QMQLJAFXQWZFCF-QHCPKHFHSA-N	0	0	362.473	4.715	40	70		FJIBRN
CCOc1ccc(-n2ccc([C@@H]3OCCN3Cc3cccc(C)c3)c2)cc1	ZINC000216741171	568137340	/nfs/dbraw/zinc/13/73/40/568137340.db2.gz	NYDACNSGACNXFH-QHCPKHFHSA-N	0	0	362.473	4.715	40	70		FJIBRN
FC(F)(F)c1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1	ZINC000216747319	568137542	/nfs/dbraw/zinc/13/75/42/568137542.db2.gz	XCFXCKQCJJQFKE-GOSISDBHSA-N	0	0	362.351	4.620	40	70		FJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(Br)cc1)CC(C)(C)O2	ZINC000217869607	568208384	/nfs/dbraw/zinc/20/83/84/568208384.db2.gz	OMHCYOCVMPUKSL-MRXNPFEDSA-N	0	0	374.278	4.790	40	70		FJIBRN
COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1	ZINC000217949505	568212177	/nfs/dbraw/zinc/21/21/77/568212177.db2.gz	ZNCGCZKXMBMAEM-UKTHLTGXSA-N	0	0	351.446	4.731	40	70		FJIBRN
COc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)CC(C)(C)O2	ZINC000217960453	568212709	/nfs/dbraw/zinc/21/27/09/568212709.db2.gz	FIJLHAGPXQFPHK-PMQIGOLDSA-N	0	0	371.864	4.780	40	70		FJIBRN
COc1ccc2c(c1)[C@H](NC(=O)CSc1ccc(C)cc1)CC(C)(C)O2	ZINC000217977856	568213462	/nfs/dbraw/zinc/21/34/62/568213462.db2.gz	CTTOIARBMFMGEA-GOSISDBHSA-N	0	0	371.502	4.514	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccccc1	ZINC000218059717	568216101	/nfs/dbraw/zinc/21/61/01/568216101.db2.gz	MPTNMEJDFWBHBO-KDOFPFPSSA-N	0	0	371.502	4.594	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCSc1ccccc1	ZINC000218082320	568216698	/nfs/dbraw/zinc/21/66/98/568216698.db2.gz	UXCJSASOLRHPKL-SFHVURJKSA-N	0	0	371.502	4.596	40	70		FJIBRN
COC(=O)c1ccc(C)c(NC(=O)c2cc3c(ccc4ccccc34)o2)c1	ZINC000218494521	568236562	/nfs/dbraw/zinc/23/65/62/568236562.db2.gz	IKJOSSYCJKEOAF-UHFFFAOYSA-N	0	0	359.381	4.933	40	70		FJIBRN
O=C(NCc1nc(-c2ccccc2)no1)c1cc2c(ccc3ccccc23)o1	ZINC000218500736	568236901	/nfs/dbraw/zinc/23/69/01/568236901.db2.gz	JJKQUTYKJNSKCD-UHFFFAOYSA-N	0	0	369.380	4.566	40	70		FJIBRN
COc1cccc2cc(C(=O)NCCCc3ccc(OC(C)C)cc3)oc21	ZINC000218615561	568242483	/nfs/dbraw/zinc/24/24/83/568242483.db2.gz	XKMPAUAFYHTFBP-UHFFFAOYSA-N	0	0	367.445	4.591	40	70		FJIBRN
Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1	ZINC000218685068	568246005	/nfs/dbraw/zinc/24/60/05/568246005.db2.gz	MFVOMXNKNFDDDA-KRWDZBQOSA-N	0	0	359.425	4.632	40	70		FJIBRN
Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000218731786	568248678	/nfs/dbraw/zinc/24/86/78/568248678.db2.gz	KHIGRHOUWRQRQN-FQEVSTJZSA-N	0	0	367.489	4.881	40	70		FJIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1	ZINC000218756411	568250205	/nfs/dbraw/zinc/25/02/05/568250205.db2.gz	IACORABGSUXVLY-OAQYLSRUSA-N	0	0	369.461	4.813	40	70		FJIBRN
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](CC)c1ccc(C)c(C)c1	ZINC000218758732	568250308	/nfs/dbraw/zinc/25/03/08/568250308.db2.gz	WGYPIQCYQURJRE-LEWJYISDSA-N	0	0	355.478	4.737	40	70		FJIBRN
CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(OC)cc1)c1ccc(C)cc1C	ZINC000218758896	568250412	/nfs/dbraw/zinc/25/04/12/568250412.db2.gz	WHSZALVCOBVWNR-NHCUHLMSSA-N	0	0	355.478	4.737	40	70		FJIBRN
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1	ZINC000216743292	222667763	/nfs/dbraw/zinc/66/77/63/222667763.db2.gz	DOKQFAUPVNGSFB-NRFANRHFSA-N	0	0	368.864	4.670	40	70		FJIBRN
COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1	ZINC000216743177	222667868	/nfs/dbraw/zinc/66/78/68/222667868.db2.gz	PSVSZDROSJKFBV-NRFANRHFSA-N	0	0	368.864	4.670	40	70		FJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C=C/c1ccc(Cl)cc1	ZINC000217960544	222675486	/nfs/dbraw/zinc/67/54/86/222675486.db2.gz	LATUFEHDUZPXQE-QKIXSCASSA-N	0	0	371.864	4.780	40	70		FJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)CC(C)(C)O2	ZINC000217960386	209661801	/nfs/dbraw/zinc/66/18/01/209661801.db2.gz	FIJLHAGPXQFPHK-QKIXSCASSA-N	0	0	371.864	4.780	40	70		FJIBRN
CC(C)Oc1cccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)c1	ZINC000218056751	519782727	/nfs/dbraw/zinc/78/27/27/519782727.db2.gz	FYCSHYIFEQHHMS-QGZVFWFLSA-N	0	0	357.519	4.703	40	70		FJIBRN
CC[C@H](NC(=O)CN1c2cccc3cccc(c23)C1=O)c1ccc(C)c(C)c1	ZINC000218319413	522386585	/nfs/dbraw/zinc/38/65/85/522386585.db2.gz	AAVFCIVCIHBIBL-FQEVSTJZSA-N	0	0	372.468	4.684	40	70		FJIBRN
CC[C@@H](NC(=O)CSCc1ccc(C)cc1)c1ccc(OC)c(OC)c1	ZINC000218024663	522691832	/nfs/dbraw/zinc/69/18/32/522691832.db2.gz	CMJICHMXTUGTBA-GOSISDBHSA-N	0	0	373.518	4.513	40	70		FJIBRN
CN(CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	ZINC000217956575	522752880	/nfs/dbraw/zinc/75/28/80/522752880.db2.gz	JACAWFHEYFIJFC-DTQAZKPQSA-N	0	0	350.506	4.640	40	70		FJIBRN
CC[C@@H](NC(=O)[C@H](C)SCc1ccccc1)c1ccc(OC)c(OC)c1	ZINC000218072533	522766657	/nfs/dbraw/zinc/76/66/57/522766657.db2.gz	UCWWMPCIPWMSCZ-MAUKXSAKSA-N	0	0	373.518	4.593	40	70		FJIBRN
CN(CCCNC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1	ZINC000218502795	522766569	/nfs/dbraw/zinc/76/65/69/522766569.db2.gz	LVKXQPBLIUINAM-UHFFFAOYSA-N	0	0	358.441	4.842	40	70		FJIBRN
Cc1ccc(CSCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1	ZINC000218023249	524644227	/nfs/dbraw/zinc/64/42/27/524644227.db2.gz	PEECPMCPOMXUAU-LJQANCHMSA-N	0	0	369.530	4.955	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000217989441	525309926	/nfs/dbraw/zinc/30/99/26/525309926.db2.gz	USWYPIHWXYYICF-LSDHHAIUSA-N	0	0	363.910	4.713	40	70		FJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1	ZINC000217952577	525310862	/nfs/dbraw/zinc/31/08/62/525310862.db2.gz	BZFZWOXDRBNIRN-XOVFHRFOSA-N	0	0	351.490	4.889	40	70		FJIBRN
COc1cccc(CCCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1	ZINC000217986820	525888308	/nfs/dbraw/zinc/88/83/08/525888308.db2.gz	VVYAQFDNQHERBP-CQSZACIVSA-N	0	0	363.910	4.578	40	70		FJIBRN
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(F)cc1	ZINC000217986535	525987886	/nfs/dbraw/zinc/98/78/86/525987886.db2.gz	PDUFUNUFPHKTMX-ZDUSSCGKSA-N	0	0	351.874	4.709	40	70		FJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccccc1C	ZINC000218017047	526174055	/nfs/dbraw/zinc/17/40/55/526174055.db2.gz	FQMNSXPRXOCGSI-LJQANCHMSA-N	0	0	369.530	4.955	40	70		FJIBRN
O=C(CSCc1c(F)cccc1Cl)NCCCc1ccc(F)cc1	ZINC000218200840	527022156	/nfs/dbraw/zinc/02/21/56/527022156.db2.gz	CFMXWZMVTUKXGU-UHFFFAOYSA-N	0	0	369.864	4.600	40	70		FJIBRN
COc1ccccc1N1CCO[C@H]1c1ccn(-c2cccc(Cl)c2)c1	ZINC000216721032	568136491	/nfs/dbraw/zinc/13/64/91/568136491.db2.gz	KIEZYUCCZCNLCS-FQEVSTJZSA-N	0	0	354.837	4.675	40	70		FJIBRN
CCOc1cccc(-n2ccc([C@H]3OCCN3Cc3cccc(C)c3)c2)c1	ZINC000216742528	568137356	/nfs/dbraw/zinc/13/73/56/568137356.db2.gz	YZRYYEKTSAQLLC-HSZRJFAPSA-N	0	0	362.473	4.715	40	70		FJIBRN
CCc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccc(OC)cc2)c1	ZINC000216744699	568137467	/nfs/dbraw/zinc/13/74/67/568137467.db2.gz	DNBAXTQBOLPAIM-QHCPKHFHSA-N	0	0	362.473	4.579	40	70		FJIBRN
FC(F)(F)c1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1	ZINC000216747280	568137476	/nfs/dbraw/zinc/13/74/76/568137476.db2.gz	XCFXCKQCJJQFKE-SFHVURJKSA-N	0	0	362.351	4.620	40	70		FJIBRN
CC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1	ZINC000217860047	568207831	/nfs/dbraw/zinc/20/78/31/568207831.db2.gz	SKLWXSCPAXXWKM-GOSISDBHSA-N	0	0	355.478	4.882	40	70		FJIBRN
Cc1ccc(SCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1	ZINC000217977609	568213399	/nfs/dbraw/zinc/21/33/99/568213399.db2.gz	ADOURXCOZHKUHN-GOSISDBHSA-N	0	0	355.503	4.814	40	70		FJIBRN
Cc1ccc(S[C@H](C)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1	ZINC000218138105	568218464	/nfs/dbraw/zinc/21/84/64/568218464.db2.gz	MOKAYDGRBFWUPG-CRAIPNDOSA-N	0	0	355.503	4.894	40	70		FJIBRN
COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1	ZINC000218663739	568244632	/nfs/dbraw/zinc/24/46/32/568244632.db2.gz	XWHOATGQXNLVSR-KRWDZBQOSA-N	0	0	369.505	4.509	40	70		FJIBRN
COC(=O)c1ccc(CNc2ccc(Br)c(Cl)c2)cc1	ZINC000218006833	571277080	/nfs/dbraw/zinc/27/70/80/571277080.db2.gz	UCNPFBURSVSKTH-UHFFFAOYSA-N	0	0	354.631	4.501	40	70		FJIBRN
COc1ccc(CNc2ccc(Br)c(Cl)c2)c(OC)c1	ZINC000218005773	571277161	/nfs/dbraw/zinc/27/71/61/571277161.db2.gz	DQMSPYCTGSEOJX-UHFFFAOYSA-N	0	0	356.647	4.732	40	70		FJIBRN