smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(Br)c1	ZINC000159817861	495815833	/nfs/dbraw/zinc/81/58/33/495815833.db2.gz	DAWDULMXJDAAEE-RISCZKNCSA-N	1	1	365.275	3.373	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1	ZINC000160558520	495991749	/nfs/dbraw/zinc/99/17/49/495991749.db2.gz	OLJICYLMHXPAIX-IPELMVKDSA-N	1	1	357.498	3.131	10	70		FGIEMO
CN(CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160890783	496062402	/nfs/dbraw/zinc/06/24/02/496062402.db2.gz	FLMJLPFAPOWDOD-KRWDZBQOSA-N	1	1	357.477	3.064	10	70		FGIEMO
C[N@H+](CCN1CCC[C@H](c2nncn2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160890783	496062407	/nfs/dbraw/zinc/06/24/07/496062407.db2.gz	FLMJLPFAPOWDOD-KRWDZBQOSA-N	1	1	357.477	3.064	10	70		FGIEMO
C[N@@H+](CCN1CCC[C@H](c2nncn2C2CC2)C1)Cc1ccc(F)cc1	ZINC000160890783	496062410	/nfs/dbraw/zinc/06/24/10/496062410.db2.gz	FLMJLPFAPOWDOD-KRWDZBQOSA-N	1	1	357.477	3.064	10	70		FGIEMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]1C1CCCCC1	ZINC000160977772	496078832	/nfs/dbraw/zinc/07/88/32/496078832.db2.gz	MLIBEAWHMKMEJO-NHCUHLMSSA-N	1	1	356.510	3.351	10	70		FGIEMO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)c1ccccc1	ZINC000161130483	496110072	/nfs/dbraw/zinc/11/00/72/496110072.db2.gz	DMOJVFNYXFDXKF-XMSQKQJNSA-N	1	1	368.477	3.440	10	70		FGIEMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)c1ccccc1	ZINC000161130483	496110077	/nfs/dbraw/zinc/11/00/77/496110077.db2.gz	DMOJVFNYXFDXKF-XMSQKQJNSA-N	1	1	368.477	3.440	10	70		FGIEMO
CCc1c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1-c1ccc(F)cc1	ZINC000161282446	496144471	/nfs/dbraw/zinc/14/44/71/496144471.db2.gz	PIOVGVYSZCGEGK-KBXCAEBGSA-N	1	1	358.461	3.032	10	70		FGIEMO
Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000161043081	496091207	/nfs/dbraw/zinc/09/12/07/496091207.db2.gz	VWJYCLUYSLIHDQ-OAHLLOKOSA-N	1	1	358.873	3.144	10	70		FGIEMO
Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000161043081	496091212	/nfs/dbraw/zinc/09/12/12/496091212.db2.gz	VWJYCLUYSLIHDQ-OAHLLOKOSA-N	1	1	358.873	3.144	10	70		FGIEMO
CCC[C@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1	ZINC000159362983	495716905	/nfs/dbraw/zinc/71/69/05/495716905.db2.gz	HZFWZUUBKZFXJA-VXKWHMMOSA-N	1	1	366.505	3.106	10	70		FGIEMO
NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171507	496118895	/nfs/dbraw/zinc/11/88/95/496118895.db2.gz	PXXQNRMVOMNVSV-IRXDYDNUSA-N	1	1	364.367	3.112	10	70		FGIEMO
NC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171507	496118900	/nfs/dbraw/zinc/11/89/00/496118900.db2.gz	PXXQNRMVOMNVSV-IRXDYDNUSA-N	1	1	364.367	3.112	10	70		FGIEMO
CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1	ZINC000160108831	495885511	/nfs/dbraw/zinc/88/55/11/495885511.db2.gz	QIWGFJJAASRXOX-RDJZCZTQSA-N	1	1	366.469	3.212	10	70		FGIEMO
CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1	ZINC000160108831	495885518	/nfs/dbraw/zinc/88/55/18/495885518.db2.gz	QIWGFJJAASRXOX-RDJZCZTQSA-N	1	1	366.469	3.212	10	70		FGIEMO
O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160524122	495982963	/nfs/dbraw/zinc/98/29/63/495982963.db2.gz	FCMPOMDXEYKVSC-DENIHFKCSA-N	1	1	368.477	3.337	10	70		FGIEMO
CCc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cnn1-c1ccc(F)cc1	ZINC000161282552	496143840	/nfs/dbraw/zinc/14/38/40/496143840.db2.gz	PIOVGVYSZCGEGK-KSSFIOAISA-N	1	1	358.461	3.032	10	70		FGIEMO
COc1ccc(CCCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(OC)c1	ZINC000161379900	496163318	/nfs/dbraw/zinc/16/33/18/496163318.db2.gz	OPEWNYJQWIGUAL-GOSISDBHSA-N	1	1	362.514	3.263	10	70		FGIEMO
CC[N@@H+](CCc1nccs1)C[C@H](O)COCc1ccc(Cl)cc1	ZINC000159386447	495721918	/nfs/dbraw/zinc/72/19/18/495721918.db2.gz	QCYPPHNMBHAOJP-INIZCTEOSA-N	1	1	354.903	3.239	10	70		FGIEMO
CCOCC[N@H+]1CCN(CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C	ZINC000159925387	495842505	/nfs/dbraw/zinc/84/25/05/495842505.db2.gz	OIUQFOBXMHUVJG-HNNXBMFYSA-N	1	1	360.420	3.170	10	70		FGIEMO
CCOCCN1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C	ZINC000159925387	495842512	/nfs/dbraw/zinc/84/25/12/495842512.db2.gz	OIUQFOBXMHUVJG-HNNXBMFYSA-N	1	1	360.420	3.170	10	70		FGIEMO
CCOCCN1CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C[C@@H]1C	ZINC000159925387	495842517	/nfs/dbraw/zinc/84/25/17/495842517.db2.gz	OIUQFOBXMHUVJG-HNNXBMFYSA-N	1	1	360.420	3.170	10	70		FGIEMO
COc1ccc(C(=O)CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1F	ZINC000160434985	495962566	/nfs/dbraw/zinc/96/25/66/495962566.db2.gz	BSKLZZZGGKLNBP-MRXNPFEDSA-N	1	1	364.461	3.034	10	70		FGIEMO
O[C@@]12CCCC[C@@H]1C[N@@H+](CCCCCn1nnc(-c3ccccc3)n1)CC2	ZINC000160506065	495978934	/nfs/dbraw/zinc/97/89/34/495978934.db2.gz	DERHLFLFUYJCEY-TZIWHRDSSA-N	1	1	369.513	3.137	10	70		FGIEMO
CC[N@H+]1CCC[C@@H](NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1	ZINC000160845447	496053206	/nfs/dbraw/zinc/05/32/06/496053206.db2.gz	GCENVPFRXSHIMS-QGZVFWFLSA-N	1	1	355.486	3.403	10	70		FGIEMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1	ZINC000159680118	495785469	/nfs/dbraw/zinc/78/54/69/495785469.db2.gz	VVMAKDAQJXWJLO-LQWHRVPQSA-N	1	1	372.557	3.198	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1	ZINC000160978377	496078646	/nfs/dbraw/zinc/07/86/46/496078646.db2.gz	RDTPFKZKQHIVSM-GOSISDBHSA-N	1	1	374.529	3.457	10	70		FGIEMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1	ZINC000161055937	496094507	/nfs/dbraw/zinc/09/45/07/496094507.db2.gz	FNIOLPNAISKLIR-FYYLOGMGSA-N	1	1	370.537	3.095	10	70		FGIEMO
COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000159817422	495815888	/nfs/dbraw/zinc/81/58/88/495815888.db2.gz	DAWDULMXJDAAEE-SMDDNHRTSA-N	1	1	365.275	3.373	10	70		FGIEMO
C[C@H](O)C[NH+]1CCC(CN(C)Cc2ncc(-c3ccccc3)s2)CC1	ZINC000159936031	495845157	/nfs/dbraw/zinc/84/51/57/495845157.db2.gz	OHYAUPGYYVDYGW-INIZCTEOSA-N	1	1	359.539	3.335	10	70		FGIEMO
O=C(NCc1cccc(-c2ccccn2)c1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000160173708	495900874	/nfs/dbraw/zinc/90/08/74/495900874.db2.gz	VWDZSHUDXJCLPR-LJQANCHMSA-N	1	1	350.466	3.128	10	70		FGIEMO
C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H]1CCCO1	ZINC000159791014	495810014	/nfs/dbraw/zinc/81/00/14/495810014.db2.gz	YBIJSGSOLAQYEC-KCLUMXDGSA-N	1	1	371.525	3.250	10	70		FGIEMO
Cc1cc(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1-c1nccs1	ZINC000160869037	496057973	/nfs/dbraw/zinc/05/79/73/496057973.db2.gz	ORNWKTMIRCDLKZ-OXQOHEQNSA-N	1	1	373.522	3.360	10	70		FGIEMO
Cc1cc(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1-c1nccs1	ZINC000160869037	496057979	/nfs/dbraw/zinc/05/79/79/496057979.db2.gz	ORNWKTMIRCDLKZ-OXQOHEQNSA-N	1	1	373.522	3.360	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)COc2ccc(Cl)c3cccnc23)C1	ZINC000161302599	496147963	/nfs/dbraw/zinc/14/79/63/496147963.db2.gz	MSMVBWSHULNFLV-CJNGLKHVSA-N	1	1	361.873	3.112	10	70		FGIEMO
CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1	ZINC000160104285	495884235	/nfs/dbraw/zinc/88/42/35/495884235.db2.gz	GMQWHQQBWBMKFF-CQSZACIVSA-N	1	1	355.417	3.472	10	70		FGIEMO
CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1	ZINC000160104285	495884239	/nfs/dbraw/zinc/88/42/39/495884239.db2.gz	GMQWHQQBWBMKFF-CQSZACIVSA-N	1	1	355.417	3.472	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC[C@H]2CCCO2)c1	ZINC000160533076	495985367	/nfs/dbraw/zinc/98/53/67/495985367.db2.gz	OJCCITVUVWBXKQ-UYAOXDASSA-N	1	1	360.498	3.095	10	70		FGIEMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@H]1C1CCCCC1	ZINC000160978208	496079064	/nfs/dbraw/zinc/07/90/64/496079064.db2.gz	MLIBEAWHMKMEJO-SFTDATJTSA-N	1	1	356.510	3.351	10	70		FGIEMO
O=C(CC[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095283	496102706	/nfs/dbraw/zinc/10/27/06/496102706.db2.gz	FYZOUUJKKSKUMY-SJORKVTESA-N	1	1	370.415	3.262	10	70		FGIEMO
CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc2cc(Br)ccc2[nH]1	ZINC000159964582	495851923	/nfs/dbraw/zinc/85/19/23/495851923.db2.gz	JFIKKZBTZROQCZ-CYBMUJFWSA-N	1	1	351.292	3.242	10	70		FGIEMO
CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159964582	495851931	/nfs/dbraw/zinc/85/19/31/495851931.db2.gz	JFIKKZBTZROQCZ-CYBMUJFWSA-N	1	1	351.292	3.242	10	70		FGIEMO
CC[N@H+]1CCC[C@@H]1CN(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159964582	495851938	/nfs/dbraw/zinc/85/19/38/495851938.db2.gz	JFIKKZBTZROQCZ-CYBMUJFWSA-N	1	1	351.292	3.242	10	70		FGIEMO
C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1	ZINC000160120062	495888758	/nfs/dbraw/zinc/88/87/58/495888758.db2.gz	AQMUUZFNJCACFI-MRXNPFEDSA-N	1	1	353.445	3.189	10	70		FGIEMO
CN(C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCCc2ccccc21	ZINC000160783798	496041227	/nfs/dbraw/zinc/04/12/27/496041227.db2.gz	JTGBANLPNFJCCY-KAGYGMCKSA-N	1	1	356.510	3.149	10	70		FGIEMO
CN(CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1)Cc1ccc(F)cc1	ZINC000159759030	495802585	/nfs/dbraw/zinc/80/25/85/495802585.db2.gz	PCWCEVQYJKQEIQ-SFHVURJKSA-N	1	1	367.472	3.180	10	70		FGIEMO
C[N@H+](CCN1CCC[C@H](c2nnc3ccccn32)C1)Cc1ccc(F)cc1	ZINC000159759030	495802592	/nfs/dbraw/zinc/80/25/92/495802592.db2.gz	PCWCEVQYJKQEIQ-SFHVURJKSA-N	1	1	367.472	3.180	10	70		FGIEMO
C[N@@H+](CCN1CCC[C@H](c2nnc3ccccn32)C1)Cc1ccc(F)cc1	ZINC000159759030	495802597	/nfs/dbraw/zinc/80/25/97/495802597.db2.gz	PCWCEVQYJKQEIQ-SFHVURJKSA-N	1	1	367.472	3.180	10	70		FGIEMO
FC(F)(F)Oc1cccc(CC[N@H+]2CCCN(c3cccnn3)CC2)c1	ZINC000159881750	495832017	/nfs/dbraw/zinc/83/20/17/495832017.db2.gz	ADFRTSWDAOZKIM-UHFFFAOYSA-N	1	1	366.387	3.130	10	70		FGIEMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1C1CCCCC1	ZINC000160978082	496078664	/nfs/dbraw/zinc/07/86/64/496078664.db2.gz	MLIBEAWHMKMEJO-LEWJYISDSA-N	1	1	356.510	3.351	10	70		FGIEMO
C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161014048	496085341	/nfs/dbraw/zinc/08/53/41/496085341.db2.gz	ZFDHAOGBIQJASA-AKCHCHLHSA-N	1	1	359.445	3.488	10	70		FGIEMO
C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161014048	496085348	/nfs/dbraw/zinc/08/53/48/496085348.db2.gz	ZFDHAOGBIQJASA-AKCHCHLHSA-N	1	1	359.445	3.488	10	70		FGIEMO
CCc1nccn1[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159464206	495737448	/nfs/dbraw/zinc/73/74/48/495737448.db2.gz	WMDIOOWKNUTTEO-SFHVURJKSA-N	1	1	360.546	3.367	10	70		FGIEMO
O=C(NCc1ccco1)c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000160524268	495983259	/nfs/dbraw/zinc/98/32/59/495983259.db2.gz	FCMPOMDXEYKVSC-KNQAVFIVSA-N	1	1	368.477	3.337	10	70		FGIEMO
O[C@]12CCCC[C@@H]1C[N@@H+](CCOc1cccc(Br)c1)CC2	ZINC000160615499	496003792	/nfs/dbraw/zinc/00/37/92/496003792.db2.gz	ZIEFPCSONCKVRN-PBHICJAKSA-N	1	1	354.288	3.455	10	70		FGIEMO
CN(CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1	ZINC000159654266	495779484	/nfs/dbraw/zinc/77/94/84/495779484.db2.gz	YNUSCEQPCYPILW-SFHVURJKSA-N	1	1	363.521	3.132	10	70		FGIEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-c2ccccn2)c1	ZINC000160171787	495901063	/nfs/dbraw/zinc/90/10/63/495901063.db2.gz	RYCZXKXIGVJOOM-VQIMIIECSA-N	1	1	350.466	3.127	10	70		FGIEMO
CSCc1nc2ccccc2n1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000160385002	495950962	/nfs/dbraw/zinc/95/09/62/495950962.db2.gz	IPTKQFGOCJBVSL-MRXNPFEDSA-N	1	1	374.554	3.136	10	70		FGIEMO
Cc1cnn(C[C@@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)c1	ZINC000159991470	495858469	/nfs/dbraw/zinc/85/84/69/495858469.db2.gz	RFHGBRRTFHEWFH-KRWDZBQOSA-N	1	1	369.387	3.034	10	70		FGIEMO
Cc1cnn(C[C@@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)c1	ZINC000159991470	495858472	/nfs/dbraw/zinc/85/84/72/495858472.db2.gz	RFHGBRRTFHEWFH-KRWDZBQOSA-N	1	1	369.387	3.034	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1	ZINC000160530270	495984489	/nfs/dbraw/zinc/98/44/89/495984489.db2.gz	KJKCOSHHXKMCML-LZQZEXGQSA-N	1	1	357.498	3.131	10	70		FGIEMO
NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171886	496118911	/nfs/dbraw/zinc/11/89/11/496118911.db2.gz	PXXQNRMVOMNVSV-IAGOWNOFSA-N	1	1	364.367	3.112	10	70		FGIEMO
NC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171886	496118916	/nfs/dbraw/zinc/11/89/16/496118916.db2.gz	PXXQNRMVOMNVSV-IAGOWNOFSA-N	1	1	364.367	3.112	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)COc2ccc(Cl)c3cccnc23)[C@@H](C)C1	ZINC000161302709	496147408	/nfs/dbraw/zinc/14/74/08/496147408.db2.gz	MSMVBWSHULNFLV-BBRMVZONSA-N	1	1	361.873	3.112	10	70		FGIEMO
O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(c2cc[nH]n2)CC1	ZINC000159493707	495743610	/nfs/dbraw/zinc/74/36/10/495743610.db2.gz	JXTKYRRNOQMQDT-IBGZPJMESA-N	1	1	373.545	3.343	10	70		FGIEMO
CCN(C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@H](C)c1ccc(F)cc1	ZINC000160993286	496081013	/nfs/dbraw/zinc/08/10/13/496081013.db2.gz	KRLYNOKENQGPGN-HGHGUNKESA-N	1	1	362.489	3.362	10	70		FGIEMO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)c1ccccc1	ZINC000161130608	496110213	/nfs/dbraw/zinc/11/02/13/496110213.db2.gz	DMOJVFNYXFDXKF-GCJKJVERSA-N	1	1	368.477	3.440	10	70		FGIEMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)c1ccccc1	ZINC000161130608	496110218	/nfs/dbraw/zinc/11/02/18/496110218.db2.gz	DMOJVFNYXFDXKF-GCJKJVERSA-N	1	1	368.477	3.440	10	70		FGIEMO
O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161359184	496159571	/nfs/dbraw/zinc/15/95/71/496159571.db2.gz	NAUGTCKAJYNPHG-SFTDATJTSA-N	1	1	365.477	3.116	10	70		FGIEMO
CCn1cc(C[N@@H+]2CCCN(C(=O)NCC(CC)(CC)CC)CC2)cn1	ZINC000159696310	495789503	/nfs/dbraw/zinc/78/95/03/495789503.db2.gz	VRNNZTONSCIEAW-UHFFFAOYSA-N	1	1	363.550	3.337	10	70		FGIEMO
CCn1cc(C[N@H+]2CCCN(C(=O)NCC(CC)(CC)CC)CC2)cn1	ZINC000159696310	495789508	/nfs/dbraw/zinc/78/95/08/495789508.db2.gz	VRNNZTONSCIEAW-UHFFFAOYSA-N	1	1	363.550	3.337	10	70		FGIEMO
CCn1cnnc1[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1	ZINC000160104409	495884293	/nfs/dbraw/zinc/88/42/93/495884293.db2.gz	GMQWHQQBWBMKFF-AWEZNQCLSA-N	1	1	355.417	3.472	10	70		FGIEMO
CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1	ZINC000160104409	495884300	/nfs/dbraw/zinc/88/43/00/495884300.db2.gz	GMQWHQQBWBMKFF-AWEZNQCLSA-N	1	1	355.417	3.472	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1	ZINC000160539535	495986891	/nfs/dbraw/zinc/98/68/91/495986891.db2.gz	VSSHANUWXXTPLJ-UYAOXDASSA-N	1	1	360.498	3.095	10	70		FGIEMO
CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160931492	496069995	/nfs/dbraw/zinc/06/99/95/496069995.db2.gz	YFNSGXFWHCUSOB-AUUYWEPGSA-N	1	1	368.880	3.065	10	70		FGIEMO
CC[N@H+]1CCC[C@@H](NC(=O)CSc2cccc(Br)c2)C1	ZINC000160989011	496079728	/nfs/dbraw/zinc/07/97/28/496079728.db2.gz	QNOVFVXMFQHVOV-CYBMUJFWSA-N	1	1	357.317	3.142	10	70		FGIEMO
CC[N@H+]1CCC[C@H](NC(=O)CSc2cccc(Br)c2)C1	ZINC000160988882	496080468	/nfs/dbraw/zinc/08/04/68/496080468.db2.gz	QNOVFVXMFQHVOV-ZDUSSCGKSA-N	1	1	357.317	3.142	10	70		FGIEMO
Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000161043203	496091056	/nfs/dbraw/zinc/09/10/56/496091056.db2.gz	VWJYCLUYSLIHDQ-HNNXBMFYSA-N	1	1	358.873	3.144	10	70		FGIEMO
Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000161043203	496091063	/nfs/dbraw/zinc/09/10/63/496091063.db2.gz	VWJYCLUYSLIHDQ-HNNXBMFYSA-N	1	1	358.873	3.144	10	70		FGIEMO
Cc1ccc(-c2nc(CC(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cs2)o1	ZINC000160497371	495976747	/nfs/dbraw/zinc/97/67/47/495976747.db2.gz	HPCFEGVZUNHLEZ-MRXNPFEDSA-N	1	1	361.511	3.491	10	70		FGIEMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1	ZINC000159679844	495786046	/nfs/dbraw/zinc/78/60/46/495786046.db2.gz	VVMAKDAQJXWJLO-LVCYWYKZSA-N	1	1	372.557	3.198	10	70		FGIEMO
C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2ccnn2C)CC1	ZINC000160068309	495877030	/nfs/dbraw/zinc/87/70/30/495877030.db2.gz	UDWWSTYZLKPIJP-OAHLLOKOSA-N	1	1	351.454	3.335	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccc(F)cc1F	ZINC000160410560	495957308	/nfs/dbraw/zinc/95/73/08/495957308.db2.gz	MXFDXZLPVURNCN-OAHLLOKOSA-N	1	1	352.425	3.164	10	70		FGIEMO
Cc1ccc([C@H](C)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1F	ZINC000160493219	495975272	/nfs/dbraw/zinc/97/52/72/495975272.db2.gz	LBXKVYZTDILTDS-OXJNMPFZSA-N	1	1	357.473	3.204	10	70		FGIEMO
O=C(CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1ccccc1F	ZINC000160660188	496014088	/nfs/dbraw/zinc/01/40/88/496014088.db2.gz	COAMKILYNFNXOQ-QGZVFWFLSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1ccccc1F	ZINC000160660188	496014090	/nfs/dbraw/zinc/01/40/90/496014090.db2.gz	COAMKILYNFNXOQ-QGZVFWFLSA-N	1	1	371.460	3.309	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)c2ccccc2C(=O)c2cccs2)[C@@H](C)C1	ZINC000161408100	496169499	/nfs/dbraw/zinc/16/94/99/496169499.db2.gz	VAZCFQBCJOJBOP-YOEHRIQHSA-N	1	1	356.491	3.438	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCc1nnc(-c2ccccc2)o1	ZINC000160408803	495957077	/nfs/dbraw/zinc/95/70/77/495957077.db2.gz	BEKKXLZLOMYSTF-GOSISDBHSA-N	1	1	370.497	3.296	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1	ZINC000160532918	495985539	/nfs/dbraw/zinc/98/55/39/495985539.db2.gz	OJCCITVUVWBXKQ-QUCCMNQESA-N	1	1	360.498	3.095	10	70		FGIEMO
O=C(CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)Nc1ccccc1F	ZINC000160660324	496013549	/nfs/dbraw/zinc/01/35/49/496013549.db2.gz	COAMKILYNFNXOQ-KRWDZBQOSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)Nc1ccccc1F	ZINC000160660324	496013557	/nfs/dbraw/zinc/01/35/57/496013557.db2.gz	COAMKILYNFNXOQ-KRWDZBQOSA-N	1	1	371.460	3.309	10	70		FGIEMO
C[N@@H+](CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F)Cc1ccc(F)cc1	ZINC000160990109	496081341	/nfs/dbraw/zinc/08/13/41/496081341.db2.gz	XNDDOHXPJMHCEN-YLJYHZDGSA-N	1	1	364.411	3.344	10	70		FGIEMO
Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c(Br)c1	ZINC000161178867	496121748	/nfs/dbraw/zinc/12/17/48/496121748.db2.gz	DZFIHYDGKYNHCQ-KBPBESRZSA-N	1	1	351.288	3.456	10	70		FGIEMO
Cc1ccc(Cl)c(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1	ZINC000161193904	496124890	/nfs/dbraw/zinc/12/48/90/496124890.db2.gz	SGOZXAWAHOCWBI-UHFFFAOYSA-N	1	1	361.877	3.122	10	70		FGIEMO
Cc1ccc(Cl)c(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1	ZINC000161193904	496124892	/nfs/dbraw/zinc/12/48/92/496124892.db2.gz	SGOZXAWAHOCWBI-UHFFFAOYSA-N	1	1	361.877	3.122	10	70		FGIEMO
C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cn(-c2ccccc2)nn1	ZINC000160119911	495889360	/nfs/dbraw/zinc/88/93/60/495889360.db2.gz	AQMUUZFNJCACFI-INIZCTEOSA-N	1	1	353.445	3.189	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1	ZINC000160403208	495955715	/nfs/dbraw/zinc/95/57/15/495955715.db2.gz	QAPXENVGHFTXJZ-HXUWFJFHSA-N	1	1	373.541	3.151	10	70		FGIEMO
Cc1cc(C)n(Cc2cccc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)c2)n1	ZINC000160469089	495970273	/nfs/dbraw/zinc/97/02/73/495970273.db2.gz	LBHBBHULCJYNDA-OAQYLSRUSA-N	1	1	368.525	3.398	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)C1	ZINC000161159548	496116846	/nfs/dbraw/zinc/11/68/46/496116846.db2.gz	CPSJHJVUZUZHLZ-KEYYUXOJSA-N	1	1	360.527	3.202	10	70		FGIEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(-c2ccccn2)c1	ZINC000160171929	495900537	/nfs/dbraw/zinc/90/05/37/495900537.db2.gz	RYCZXKXIGVJOOM-QFBILLFUSA-N	1	1	350.466	3.127	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)NC(C)C)cc1	ZINC000160512723	495980102	/nfs/dbraw/zinc/98/01/02/495980102.db2.gz	VDGMPGWOGJWZTI-GOSISDBHSA-N	1	1	360.502	3.067	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1	ZINC000160558387	495991945	/nfs/dbraw/zinc/99/19/45/495991945.db2.gz	OLJICYLMHXPAIX-LZQZEXGQSA-N	1	1	357.498	3.131	10	70		FGIEMO
CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160793552	496043441	/nfs/dbraw/zinc/04/34/41/496043441.db2.gz	HIQQLRXUOXJTGF-KNQAVFIVSA-N	1	1	358.526	3.441	10	70		FGIEMO
C[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1	ZINC000161042546	496091036	/nfs/dbraw/zinc/09/10/36/496091036.db2.gz	ZEBPTAMKHJYLKJ-XJKSGUPXSA-N	1	1	351.288	3.249	10	70		FGIEMO
O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H](Oc2cccnc2)C1	ZINC000161359053	496160188	/nfs/dbraw/zinc/16/01/88/496160188.db2.gz	NAUGTCKAJYNPHG-LEWJYISDSA-N	1	1	365.477	3.116	10	70		FGIEMO
COCC[N@@H+]1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C[C@@H]1C	ZINC000159754368	495801236	/nfs/dbraw/zinc/80/12/36/495801236.db2.gz	SKOHQNLGKPEUMU-SFHVURJKSA-N	1	1	374.529	3.107	10	70		FGIEMO
COCC[N@H+]1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C[C@@H]1C	ZINC000159754368	495801239	/nfs/dbraw/zinc/80/12/39/495801239.db2.gz	SKOHQNLGKPEUMU-SFHVURJKSA-N	1	1	374.529	3.107	10	70		FGIEMO
O[C@H](COc1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160628216	496007463	/nfs/dbraw/zinc/00/74/63/496007463.db2.gz	JVSRFLNOOSTGHH-SOLBZPMBSA-N	1	1	373.415	3.072	10	70		FGIEMO
CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160931623	496070076	/nfs/dbraw/zinc/07/00/76/496070076.db2.gz	YFNSGXFWHCUSOB-KUHUBIRLSA-N	1	1	368.880	3.065	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1	ZINC000160558766	495991261	/nfs/dbraw/zinc/99/12/61/495991261.db2.gz	OLJICYLMHXPAIX-KFKAGJAMSA-N	1	1	357.498	3.131	10	70		FGIEMO
O[C@]12CCCC[C@@H]1C[N@@H+](CCOc1ccc(Br)cc1)CC2	ZINC000160618811	496004837	/nfs/dbraw/zinc/00/48/37/496004837.db2.gz	SIPNFGDKOCZWKT-PBHICJAKSA-N	1	1	354.288	3.455	10	70		FGIEMO
Cc1cc(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1CC(F)(F)F	ZINC000160630009	496007268	/nfs/dbraw/zinc/00/72/68/496007268.db2.gz	QGTRZNDDYJCCBG-CRAIPNDOSA-N	1	1	372.431	3.477	10	70		FGIEMO
Cc1cc(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1CC(F)(F)F	ZINC000160630009	496007273	/nfs/dbraw/zinc/00/72/73/496007273.db2.gz	QGTRZNDDYJCCBG-CRAIPNDOSA-N	1	1	372.431	3.477	10	70		FGIEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC1(Cc2ccccc2)CC1	ZINC000160823828	496048491	/nfs/dbraw/zinc/04/84/91/496048491.db2.gz	NTDWGFFCQGAQTE-IBGZPJMESA-N	1	1	352.482	3.388	10	70		FGIEMO
Cn1cc([C@@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)cn1	ZINC000159718015	495793636	/nfs/dbraw/zinc/79/36/36/495793636.db2.gz	KHEDNBFCHMCZOS-LLVKDONJSA-N	1	1	360.259	3.048	10	70		FGIEMO
Cn1cc([C@@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)cn1	ZINC000159718015	495793642	/nfs/dbraw/zinc/79/36/42/495793642.db2.gz	KHEDNBFCHMCZOS-LLVKDONJSA-N	1	1	360.259	3.048	10	70		FGIEMO
Cn1cc([C@@H]2CC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)cn1	ZINC000159718015	495793654	/nfs/dbraw/zinc/79/36/54/495793654.db2.gz	KHEDNBFCHMCZOS-LLVKDONJSA-N	1	1	360.259	3.048	10	70		FGIEMO
Cn1cc([C@@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)cn1	ZINC000159718015	495793657	/nfs/dbraw/zinc/79/36/57/495793657.db2.gz	KHEDNBFCHMCZOS-LLVKDONJSA-N	1	1	360.259	3.048	10	70		FGIEMO
C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2ccnn2C)CC1	ZINC000160068190	495877122	/nfs/dbraw/zinc/87/71/22/495877122.db2.gz	UDWWSTYZLKPIJP-HNNXBMFYSA-N	1	1	351.454	3.335	10	70		FGIEMO
O[C@@]12CCCC[C@@H]1C[N@@H+](CCOc1ccc(Br)cc1)CC2	ZINC000160618692	496004815	/nfs/dbraw/zinc/00/48/15/496004815.db2.gz	SIPNFGDKOCZWKT-RHSMWYFYSA-N	1	1	354.288	3.455	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccccc2C(=O)c2cccs2)C1	ZINC000161407989	496170207	/nfs/dbraw/zinc/17/02/07/496170207.db2.gz	VAZCFQBCJOJBOP-PBHICJAKSA-N	1	1	356.491	3.438	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	ZINC000160539395	495987348	/nfs/dbraw/zinc/98/73/48/495987348.db2.gz	VSSHANUWXXTPLJ-QUCCMNQESA-N	1	1	360.498	3.095	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1	ZINC000160558645	495991229	/nfs/dbraw/zinc/99/12/29/495991229.db2.gz	OLJICYLMHXPAIX-ATZDWAIDSA-N	1	1	357.498	3.131	10	70		FGIEMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cc(C(=O)OC)cs2)C1	ZINC000161018379	496086407	/nfs/dbraw/zinc/08/64/07/496086407.db2.gz	TUGOWADACKTSDD-CYBMUJFWSA-N	1	1	362.455	3.163	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)ccc1Br	ZINC000160475957	495971257	/nfs/dbraw/zinc/97/12/57/495971257.db2.gz	ZAHSCGJIXKEWGL-CYBMUJFWSA-N	1	1	357.267	3.438	10	70		FGIEMO
Cc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c(Br)c1	ZINC000161178987	496121706	/nfs/dbraw/zinc/12/17/06/496121706.db2.gz	DZFIHYDGKYNHCQ-UONOGXRCSA-N	1	1	351.288	3.456	10	70		FGIEMO
CCC[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1	ZINC000159363112	495717618	/nfs/dbraw/zinc/71/76/18/495717618.db2.gz	HZFWZUUBKZFXJA-FCHUYYIVSA-N	1	1	366.505	3.106	10	70		FGIEMO
Cn1nccc1C1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1	ZINC000160067049	495877038	/nfs/dbraw/zinc/87/70/38/495877038.db2.gz	BQTUZJZYQHVFJC-IBGZPJMESA-N	1	1	372.900	3.449	10	70		FGIEMO
O=C(NCc1cccc(-c2ccccn2)c1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000160173849	495901097	/nfs/dbraw/zinc/90/10/97/495901097.db2.gz	VWDZSHUDXJCLPR-IBGZPJMESA-N	1	1	350.466	3.128	10	70		FGIEMO
O=C(c1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1)N1CCCCC1	ZINC000160958301	496074693	/nfs/dbraw/zinc/07/46/93/496074693.db2.gz	VTLSFHIVTIGUDM-IFMALSPDSA-N	1	1	356.510	3.440	10	70		FGIEMO
O=C([C@H](c1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCCCC1	ZINC000161111161	496104788	/nfs/dbraw/zinc/10/47/88/496104788.db2.gz	XJCNMMIRLLKRLC-RZUBCFFCSA-N	1	1	356.510	3.367	10	70		FGIEMO
Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)cc2)n1	ZINC000160464509	495969187	/nfs/dbraw/zinc/96/91/87/495969187.db2.gz	KCZXHNHVNVVBHX-OAQYLSRUSA-N	1	1	368.525	3.398	10	70		FGIEMO
CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160793432	496043565	/nfs/dbraw/zinc/04/35/65/496043565.db2.gz	HIQQLRXUOXJTGF-DENIHFKCSA-N	1	1	358.526	3.441	10	70		FGIEMO
CC(C)CNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1	ZINC000161048237	496093498	/nfs/dbraw/zinc/09/34/98/496093498.db2.gz	XASFZECNXNGFLN-LJQANCHMSA-N	1	1	374.529	3.314	10	70		FGIEMO
CN(CC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Cc1ccc(F)cc1	ZINC000161305950	496148780	/nfs/dbraw/zinc/14/87/80/496148780.db2.gz	XFSBPTGUIHPVLP-KRWDZBQOSA-N	1	1	357.477	3.133	10	70		FGIEMO
C[N@H+](CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Cc1ccc(F)cc1	ZINC000161305950	496148788	/nfs/dbraw/zinc/14/87/88/496148788.db2.gz	XFSBPTGUIHPVLP-KRWDZBQOSA-N	1	1	357.477	3.133	10	70		FGIEMO
C[N@@H+](CCN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)Cc1ccc(F)cc1	ZINC000161305950	496148795	/nfs/dbraw/zinc/14/87/95/496148795.db2.gz	XFSBPTGUIHPVLP-KRWDZBQOSA-N	1	1	357.477	3.133	10	70		FGIEMO
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000159972228	495853331	/nfs/dbraw/zinc/85/33/31/495853331.db2.gz	YPSACIIPHLJPQY-GOSISDBHSA-N	1	1	372.513	3.129	10	70		FGIEMO
O[C@@]12CCCC[C@@H]1C[N@@H+](CCOc1cccc(Br)c1)CC2	ZINC000160615339	496003329	/nfs/dbraw/zinc/00/33/29/496003329.db2.gz	ZIEFPCSONCKVRN-RHSMWYFYSA-N	1	1	354.288	3.455	10	70		FGIEMO
CCN(Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C(C)=O	ZINC000159449627	495735803	/nfs/dbraw/zinc/73/58/03/495735803.db2.gz	ORVDYQHHMZDJJL-LJQANCHMSA-N	1	1	374.529	3.297	10	70		FGIEMO
Cc1cnn(C[C@H]2C[N@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)c1	ZINC000159991607	495858448	/nfs/dbraw/zinc/85/84/48/495858448.db2.gz	RFHGBRRTFHEWFH-QGZVFWFLSA-N	1	1	369.387	3.034	10	70		FGIEMO
Cc1cnn(C[C@H]2C[N@@H+](CCc3cccc(OC(F)(F)F)c3)CCO2)c1	ZINC000159991607	495858454	/nfs/dbraw/zinc/85/84/54/495858454.db2.gz	RFHGBRRTFHEWFH-QGZVFWFLSA-N	1	1	369.387	3.034	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@@H](C)C1	ZINC000160224225	495913114	/nfs/dbraw/zinc/91/31/14/495913114.db2.gz	JOJUHOHFECDMAN-ICSRJNTNSA-N	1	1	364.578	3.013	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)c2[nH]c3ccccc3c2Br)[C@@H](C)C1	ZINC000161167816	496118753	/nfs/dbraw/zinc/11/87/53/496118753.db2.gz	VJGRAGASIJADGI-FZMZJTMJSA-N	1	1	364.287	3.389	10	70		FGIEMO
COCCOc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1OC	ZINC000161256458	496138190	/nfs/dbraw/zinc/13/81/90/496138190.db2.gz	YOYMNTVMZVNSLZ-BQFCYCMXSA-N	1	1	350.503	3.100	10	70		FGIEMO
COCCOc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1OC	ZINC000161256458	496138193	/nfs/dbraw/zinc/13/81/93/496138193.db2.gz	YOYMNTVMZVNSLZ-BQFCYCMXSA-N	1	1	350.503	3.100	10	70		FGIEMO
CCC[C@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)[NH+](C)C	ZINC000161294751	496146564	/nfs/dbraw/zinc/14/65/64/496146564.db2.gz	LPJFENPTZYTKCA-GOSISDBHSA-N	1	1	351.922	3.151	10	70		FGIEMO
CC(C)CCn1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n1	ZINC000159464270	495738114	/nfs/dbraw/zinc/73/81/14/495738114.db2.gz	ZPCILEIESXHMQF-UHFFFAOYSA-N	1	1	358.490	3.149	10	70		FGIEMO
COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc(Br)c1	ZINC000159817591	495815341	/nfs/dbraw/zinc/81/53/41/495815341.db2.gz	DAWDULMXJDAAEE-BXUZGUMPSA-N	1	1	365.275	3.373	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C(=O)NC(C)C)cc1	ZINC000161271213	496141537	/nfs/dbraw/zinc/14/15/37/496141537.db2.gz	DPMHKGFNAZYEMX-GOSISDBHSA-N	1	1	360.502	3.067	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Oc2cnccn2)c1	ZINC000160547697	495989429	/nfs/dbraw/zinc/98/94/29/495989429.db2.gz	XZNVFLNBHJNVNQ-QGZVFWFLSA-N	1	1	354.454	3.119	10	70		FGIEMO
O=C(CC[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc(Cl)cc1F	ZINC000160653653	496012974	/nfs/dbraw/zinc/01/29/74/496012974.db2.gz	VDBFWSZTCFXBDC-UHFFFAOYSA-N	1	1	350.825	3.410	10	70		FGIEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC1(Cc2ccccc2)CC1	ZINC000160823955	496048569	/nfs/dbraw/zinc/04/85/69/496048569.db2.gz	NTDWGFFCQGAQTE-LJQANCHMSA-N	1	1	352.482	3.388	10	70		FGIEMO
CC(C)[C@@H](O)CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000159553365	495757916	/nfs/dbraw/zinc/75/79/16/495757916.db2.gz	DIZRINPMQIUEEP-KRWDZBQOSA-N	1	1	373.324	3.481	10	70		FGIEMO
Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000160392281	495951588	/nfs/dbraw/zinc/95/15/88/495951588.db2.gz	FLHICUBQWOXGBT-LJQANCHMSA-N	1	1	362.562	3.325	10	70		FGIEMO
Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cnn1-c1ccccc1F	ZINC000160410681	495957335	/nfs/dbraw/zinc/95/73/35/495957335.db2.gz	UKGVEQAGQAYGFH-MRXNPFEDSA-N	1	1	358.461	3.170	10	70		FGIEMO
CC[C@@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000160518768	495981981	/nfs/dbraw/zinc/98/19/81/495981981.db2.gz	PZRKIGGJBABYIG-CQSZACIVSA-N	1	1	352.784	3.390	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1	ZINC000160530399	495984693	/nfs/dbraw/zinc/98/46/93/495984693.db2.gz	KJKCOSHHXKMCML-IPELMVKDSA-N	1	1	357.498	3.131	10	70		FGIEMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCC(Cc2ccccc2)CC1	ZINC000161056065	496094425	/nfs/dbraw/zinc/09/44/25/496094425.db2.gz	FNIOLPNAISKLIR-GGAORHGYSA-N	1	1	370.537	3.095	10	70		FGIEMO
CC[N@H+]1CCC[C@H]1CN(C)Cc1nc2cc(Br)ccc2[nH]1	ZINC000159964740	495851670	/nfs/dbraw/zinc/85/16/70/495851670.db2.gz	JFIKKZBTZROQCZ-ZDUSSCGKSA-N	1	1	351.292	3.242	10	70		FGIEMO
CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159964740	495851678	/nfs/dbraw/zinc/85/16/78/495851678.db2.gz	JFIKKZBTZROQCZ-ZDUSSCGKSA-N	1	1	351.292	3.242	10	70		FGIEMO
CC[N@H+]1CCC[C@H]1CN(C)Cc1nc2ccc(Br)cc2[nH]1	ZINC000159964740	495851683	/nfs/dbraw/zinc/85/16/83/495851683.db2.gz	JFIKKZBTZROQCZ-ZDUSSCGKSA-N	1	1	351.292	3.242	10	70		FGIEMO
CCOCC[N@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@H]1CC	ZINC000159930512	495843911	/nfs/dbraw/zinc/84/39/11/495843911.db2.gz	TWWGIIFMXOEMSN-QGZVFWFLSA-N	1	1	350.507	3.050	10	70		FGIEMO
Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1CC(F)(F)F	ZINC000160630132	496006906	/nfs/dbraw/zinc/00/69/06/496006906.db2.gz	QGTRZNDDYJCCBG-QAPCUYQASA-N	1	1	372.431	3.477	10	70		FGIEMO
Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1CC(F)(F)F	ZINC000160630132	496006912	/nfs/dbraw/zinc/00/69/12/496006912.db2.gz	QGTRZNDDYJCCBG-QAPCUYQASA-N	1	1	372.431	3.477	10	70		FGIEMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cc(C(=O)OC)cs2)C1	ZINC000161018511	496086445	/nfs/dbraw/zinc/08/64/45/496086445.db2.gz	TUGOWADACKTSDD-ZDUSSCGKSA-N	1	1	362.455	3.163	10	70		FGIEMO
C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1	ZINC000161042666	496091438	/nfs/dbraw/zinc/09/14/38/496091438.db2.gz	ZEBPTAMKHJYLKJ-CZUORRHYSA-N	1	1	351.288	3.249	10	70		FGIEMO
O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095175	496102730	/nfs/dbraw/zinc/10/27/30/496102730.db2.gz	FYZOUUJKKSKUMY-DLBZAZTESA-N	1	1	370.415	3.262	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2[nH]c3ccccc3c2Br)C1	ZINC000161167690	496119206	/nfs/dbraw/zinc/11/92/06/496119206.db2.gz	VJGRAGASIJADGI-RISCZKNCSA-N	1	1	364.287	3.389	10	70		FGIEMO
COc1cccc([C@@H]2CN(CC[N@@H+](C)Cc3ccc(F)cc3)CCO2)c1	ZINC000160296772	495929652	/nfs/dbraw/zinc/92/96/52/495929652.db2.gz	NHOONYDPBNIZTQ-NRFANRHFSA-N	1	1	358.457	3.340	10	70		FGIEMO
CC[C@](C)(O)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000160518638	495981756	/nfs/dbraw/zinc/98/17/56/495981756.db2.gz	PZRKIGGJBABYIG-AWEZNQCLSA-N	1	1	352.784	3.390	10	70		FGIEMO
O[C@H](Cc1ccccc1)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161078445	496098398	/nfs/dbraw/zinc/09/83/98/496098398.db2.gz	HBCUDYCNSCMSHS-GUDVDZBRSA-N	1	1	365.395	3.417	10	70		FGIEMO
CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161115946	496105978	/nfs/dbraw/zinc/10/59/78/496105978.db2.gz	RLBACPSAPIUVMZ-WRWLIDTKSA-N	1	1	362.539	3.211	10	70		FGIEMO
C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H]1CCCO1	ZINC000159791285	495809370	/nfs/dbraw/zinc/80/93/70/495809370.db2.gz	YBIJSGSOLAQYEC-OYNPSCLESA-N	1	1	371.525	3.250	10	70		FGIEMO
Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C	ZINC000160387137	495951007	/nfs/dbraw/zinc/95/10/07/495951007.db2.gz	FBPPJHROEXMQPK-HXUWFJFHSA-N	1	1	368.525	3.268	10	70		FGIEMO
O[C@]12CCCC[C@@H]1C[N@@H+](CCCCCn1nnc(-c3ccccc3)n1)CC2	ZINC000160506215	495978241	/nfs/dbraw/zinc/97/82/41/495978241.db2.gz	DERHLFLFUYJCEY-CTNGQTDRSA-N	1	1	369.513	3.137	10	70		FGIEMO
Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1-c1nccs1	ZINC000160869206	496057724	/nfs/dbraw/zinc/05/77/24/496057724.db2.gz	ORNWKTMIRCDLKZ-UZLBHIALSA-N	1	1	373.522	3.360	10	70		FGIEMO
Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)n1-c1nccs1	ZINC000160869206	496057732	/nfs/dbraw/zinc/05/77/32/496057732.db2.gz	ORNWKTMIRCDLKZ-UZLBHIALSA-N	1	1	373.522	3.360	10	70		FGIEMO
NC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171740	496119382	/nfs/dbraw/zinc/11/93/82/496119382.db2.gz	PXXQNRMVOMNVSV-SJORKVTESA-N	1	1	364.367	3.112	10	70		FGIEMO
NC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171740	496119384	/nfs/dbraw/zinc/11/93/84/496119384.db2.gz	PXXQNRMVOMNVSV-SJORKVTESA-N	1	1	364.367	3.112	10	70		FGIEMO
CCC[C@@H](C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)[NH+](C)C	ZINC000161294643	496146504	/nfs/dbraw/zinc/14/65/04/496146504.db2.gz	LPJFENPTZYTKCA-SFHVURJKSA-N	1	1	351.922	3.151	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1	ZINC000160376218	495949737	/nfs/dbraw/zinc/94/97/37/495949737.db2.gz	VUQKCQDNMXPTDG-LJQANCHMSA-N	1	1	373.541	3.199	10	70		FGIEMO
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161139348	496112907	/nfs/dbraw/zinc/11/29/07/496112907.db2.gz	UOQFYGLUPLKSCU-AKCHCHLHSA-N	1	1	366.452	3.111	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1cnn(-c2ccccc2)c1	ZINC000160395570	495952881	/nfs/dbraw/zinc/95/28/81/495952881.db2.gz	OBVXFPVBGQVPCV-HXUWFJFHSA-N	1	1	354.498	3.042	10	70		FGIEMO
O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@H]1C1CCCCC1	ZINC000160977959	496078703	/nfs/dbraw/zinc/07/87/03/496078703.db2.gz	MLIBEAWHMKMEJO-RTWAWAEBSA-N	1	1	356.510	3.351	10	70		FGIEMO
CCCNC(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1	ZINC000161446370	496177962	/nfs/dbraw/zinc/17/79/62/496177962.db2.gz	ZFVKGIZSNJEVMR-GOSISDBHSA-N	1	1	360.502	3.068	10	70		FGIEMO
O=C(CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)Nc1ccc(F)cc1	ZINC000160610149	496002858	/nfs/dbraw/zinc/00/28/58/496002858.db2.gz	RIZIWVDGXQQHLA-KRWDZBQOSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)Nc1ccc(F)cc1	ZINC000160610149	496002860	/nfs/dbraw/zinc/00/28/60/496002860.db2.gz	RIZIWVDGXQQHLA-KRWDZBQOSA-N	1	1	371.460	3.309	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(CN2CCCC2=O)cc1	ZINC000160742020	496033331	/nfs/dbraw/zinc/03/33/31/496033331.db2.gz	ISECLOCEANZHSN-LJQANCHMSA-N	1	1	372.513	3.051	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)C1	ZINC000161087357	496099884	/nfs/dbraw/zinc/09/98/84/496099884.db2.gz	FXORNQZGHSTBLJ-CJNGLKHVSA-N	1	1	368.930	3.101	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)[C@@H](C)C1	ZINC000161159644	496116717	/nfs/dbraw/zinc/11/67/17/496116717.db2.gz	CPSJHJVUZUZHLZ-ZQIUZPCESA-N	1	1	360.527	3.202	10	70		FGIEMO
COc1ccc(Br)c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1	ZINC000160443698	495965240	/nfs/dbraw/zinc/96/52/40/495965240.db2.gz	WEAHEVCGYDTQIJ-CYBMUJFWSA-N	1	1	369.303	3.308	10	70		FGIEMO
O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1ccc(Cl)c(F)c1	ZINC000161396243	496167781	/nfs/dbraw/zinc/16/77/81/496167781.db2.gz	JUSGGRNOFQXTCL-OMWUSAIZSA-N	1	1	366.864	3.211	10	70		FGIEMO
CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1	ZINC000160108698	495885681	/nfs/dbraw/zinc/88/56/81/495885681.db2.gz	QIWGFJJAASRXOX-DOTOQJQBSA-N	1	1	366.469	3.212	10	70		FGIEMO
CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1	ZINC000160108698	495885686	/nfs/dbraw/zinc/88/56/86/495885686.db2.gz	QIWGFJJAASRXOX-DOTOQJQBSA-N	1	1	366.469	3.212	10	70		FGIEMO
CC(=O)c1cccc(OCCCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160576278	495994534	/nfs/dbraw/zinc/99/45/34/495994534.db2.gz	XKNOBASOCQYINP-LJQANCHMSA-N	1	1	360.498	3.285	10	70		FGIEMO
COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1OC(F)F	ZINC000160604618	496001518	/nfs/dbraw/zinc/00/15/18/496001518.db2.gz	XKVZOLGZEGEXLX-CQSZACIVSA-N	1	1	356.413	3.147	10	70		FGIEMO
CC[N@H+]1CCC[C@H](NC(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)C1	ZINC000160845307	496053084	/nfs/dbraw/zinc/05/30/84/496053084.db2.gz	GCENVPFRXSHIMS-KRWDZBQOSA-N	1	1	355.486	3.403	10	70		FGIEMO
COCC[N@@H+]1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C[C@H]1C	ZINC000159754236	495801341	/nfs/dbraw/zinc/80/13/41/495801341.db2.gz	SKOHQNLGKPEUMU-GOSISDBHSA-N	1	1	374.529	3.107	10	70		FGIEMO
COCC[N@H+]1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C[C@H]1C	ZINC000159754236	495801346	/nfs/dbraw/zinc/80/13/46/495801346.db2.gz	SKOHQNLGKPEUMU-GOSISDBHSA-N	1	1	374.529	3.107	10	70		FGIEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(Br)c(F)c1	ZINC000159997963	495859836	/nfs/dbraw/zinc/85/98/36/495859836.db2.gz	OWXMOAZQDXBLCX-CYBMUJFWSA-N	1	1	357.267	3.073	10	70		FGIEMO
Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1Cl	ZINC000160269490	495923381	/nfs/dbraw/zinc/92/33/81/495923381.db2.gz	DSLSUQZOVPVKPS-UHFFFAOYSA-N	1	1	361.877	3.122	10	70		FGIEMO
Cc1cccc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1Cl	ZINC000160269490	495923384	/nfs/dbraw/zinc/92/33/84/495923384.db2.gz	DSLSUQZOVPVKPS-UHFFFAOYSA-N	1	1	361.877	3.122	10	70		FGIEMO
COc1ccc(C(=O)CCCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1	ZINC000160457469	495967420	/nfs/dbraw/zinc/96/74/20/495967420.db2.gz	CNXFOVBLZNTZHC-GOSISDBHSA-N	1	1	360.498	3.285	10	70		FGIEMO
CCN(C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H](C)c1ccc(F)cc1	ZINC000160993179	496080829	/nfs/dbraw/zinc/08/08/29/496080829.db2.gz	KRLYNOKENQGPGN-YRISNDGFSA-N	1	1	362.489	3.362	10	70		FGIEMO
CC[N@@H+](CCc1nccs1)C[C@@H](O)COCc1ccc(Cl)cc1	ZINC000159386611	495722275	/nfs/dbraw/zinc/72/22/75/495722275.db2.gz	QCYPPHNMBHAOJP-MRXNPFEDSA-N	1	1	354.903	3.239	10	70		FGIEMO
CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCCN(c3cccnn3)CC2)cc1	ZINC000159880624	495831808	/nfs/dbraw/zinc/83/18/08/495831808.db2.gz	QVFOVLUZWPWWIF-UHFFFAOYSA-N	1	1	368.481	3.144	10	70		FGIEMO
C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ncc(-c3ccccc3)s2)CC1	ZINC000159936167	495845772	/nfs/dbraw/zinc/84/57/72/495845772.db2.gz	OHYAUPGYYVDYGW-MRXNPFEDSA-N	1	1	359.539	3.335	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C3CC3)no2)cc1	ZINC000160493074	495974995	/nfs/dbraw/zinc/97/49/95/495974995.db2.gz	YFNJJYHKYRHGQY-GOSISDBHSA-N	1	1	368.481	3.464	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccc(F)c(F)c1	ZINC000160492807	495975251	/nfs/dbraw/zinc/97/52/51/495975251.db2.gz	JBYUTIFEEOMPTD-OAHLLOKOSA-N	1	1	352.425	3.164	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2noc(C3CC3)n2)c1	ZINC000160575437	495994781	/nfs/dbraw/zinc/99/47/81/495994781.db2.gz	GOMZDDVVPZWZGE-GOSISDBHSA-N	1	1	368.481	3.464	10	70		FGIEMO
COCCOc1cc(C)ccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C	ZINC000161144806	496113673	/nfs/dbraw/zinc/11/36/73/496113673.db2.gz	LVBGVBNYYCWRMS-QGZVFWFLSA-N	1	1	363.502	3.262	10	70		FGIEMO
COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc(Br)c1	ZINC000159817725	495815896	/nfs/dbraw/zinc/81/58/96/495815896.db2.gz	DAWDULMXJDAAEE-FZMZJTMJSA-N	1	1	365.275	3.373	10	70		FGIEMO
CCOCC[N@H+]1CCN(Cc2noc(C3CCCCC3)n2)C[C@@H]1CC	ZINC000159930641	495843430	/nfs/dbraw/zinc/84/34/30/495843430.db2.gz	TWWGIIFMXOEMSN-KRWDZBQOSA-N	1	1	350.507	3.050	10	70		FGIEMO
O=C(c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1)N1CCCCC1	ZINC000160958439	496074862	/nfs/dbraw/zinc/07/48/62/496074862.db2.gz	VTLSFHIVTIGUDM-IRLDBZIGSA-N	1	1	356.510	3.440	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](C)C1	ZINC000161402169	496169456	/nfs/dbraw/zinc/16/94/56/496169456.db2.gz	MNTBOBHXUHIUFL-JXFKEZNVSA-N	1	1	365.477	3.397	10	70		FGIEMO
C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccnc3c(F)cc(F)cc23)CC1	ZINC000159382763	495720570	/nfs/dbraw/zinc/72/05/70/495720570.db2.gz	CXQCTTDIEVYKHF-MRXNPFEDSA-N	1	1	360.452	3.119	10	70		FGIEMO
Brc1ccc2[nH]c(C[NH+]3CCC(Cn4cccn4)CC3)nc2c1	ZINC000159440852	495733478	/nfs/dbraw/zinc/73/34/78/495733478.db2.gz	ANWNDVXNYLFJJF-UHFFFAOYSA-N	1	1	374.286	3.434	10	70		FGIEMO
CN(CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1	ZINC000159654411	495779806	/nfs/dbraw/zinc/77/98/06/495779806.db2.gz	YNUSCEQPCYPILW-GOSISDBHSA-N	1	1	363.521	3.132	10	70		FGIEMO
O[C@]12CCCC[C@@H]1C[N@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2	ZINC000160289540	495928314	/nfs/dbraw/zinc/92/83/14/495928314.db2.gz	NOOCPNRAVVAUBB-PXAZEXFGSA-N	1	1	364.287	3.452	10	70		FGIEMO
O[C@]12CCCC[C@@H]1C[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2	ZINC000160289540	495928316	/nfs/dbraw/zinc/92/83/16/495928316.db2.gz	NOOCPNRAVVAUBB-PXAZEXFGSA-N	1	1	364.287	3.452	10	70		FGIEMO
Cc1ccc([C@H](C)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1F	ZINC000160492946	495975499	/nfs/dbraw/zinc/97/54/99/495975499.db2.gz	LBXKVYZTDILTDS-JXFKEZNVSA-N	1	1	357.473	3.204	10	70		FGIEMO
Cc1ccc(CN(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C2CC2)cc1	ZINC000160921447	496067986	/nfs/dbraw/zinc/06/79/86/496067986.db2.gz	VJKYLJMJZKWSIM-DENIHFKCSA-N	1	1	356.510	3.113	10	70		FGIEMO
O=C1[C@H]([N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCCN1c1ccccc1Cl	ZINC000161007406	496084277	/nfs/dbraw/zinc/08/42/77/496084277.db2.gz	PEVSIRDLRJQSAI-XFQXTVEOSA-N	1	1	362.901	3.462	10	70		FGIEMO
O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCCN1c1ccccc1Cl	ZINC000161007406	496084282	/nfs/dbraw/zinc/08/42/82/496084282.db2.gz	PEVSIRDLRJQSAI-XFQXTVEOSA-N	1	1	362.901	3.462	10	70		FGIEMO
COCCOc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1OC	ZINC000161256336	496138262	/nfs/dbraw/zinc/13/82/62/496138262.db2.gz	YOYMNTVMZVNSLZ-RYRKJORJSA-N	1	1	350.503	3.100	10	70		FGIEMO
COCCOc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1OC	ZINC000161256336	496138268	/nfs/dbraw/zinc/13/82/68/496138268.db2.gz	YOYMNTVMZVNSLZ-RYRKJORJSA-N	1	1	350.503	3.100	10	70		FGIEMO
O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCC(c2cc[nH]n2)CC1	ZINC000159493860	495743745	/nfs/dbraw/zinc/74/37/45/495743745.db2.gz	JXTKYRRNOQMQDT-LJQANCHMSA-N	1	1	373.545	3.343	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Br	ZINC000160568865	495993908	/nfs/dbraw/zinc/99/39/08/495993908.db2.gz	XDBOHGQBGUICGF-CYBMUJFWSA-N	1	1	357.267	3.438	10	70		FGIEMO
O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccccc1C(F)(F)F	ZINC000160634889	496008638	/nfs/dbraw/zinc/00/86/38/496008638.db2.gz	IYPQLKVFLYYBIX-DYVFJYSZSA-N	1	1	356.388	3.271	10	70		FGIEMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccccc1C(F)(F)F	ZINC000160634889	496008642	/nfs/dbraw/zinc/00/86/42/496008642.db2.gz	IYPQLKVFLYYBIX-DYVFJYSZSA-N	1	1	356.388	3.271	10	70		FGIEMO
Cn1cc(C[N@@H+]2CCCN(Cc3ncc(-c4ccccc4)s3)CC2)cn1	ZINC000159960016	495850157	/nfs/dbraw/zinc/85/01/57/495850157.db2.gz	OBMVRTABGRXGDM-UHFFFAOYSA-N	1	1	367.522	3.252	10	70		FGIEMO
Cn1cc(C[N@H+]2CCCN(Cc3ncc(-c4ccccc4)s3)CC2)cn1	ZINC000159960016	495850161	/nfs/dbraw/zinc/85/01/61/495850161.db2.gz	OBMVRTABGRXGDM-UHFFFAOYSA-N	1	1	367.522	3.252	10	70		FGIEMO
Cn1cc(CN2CCC[N@H+](Cc3ncc(-c4ccccc4)s3)CC2)cn1	ZINC000159960016	495850164	/nfs/dbraw/zinc/85/01/64/495850164.db2.gz	OBMVRTABGRXGDM-UHFFFAOYSA-N	1	1	367.522	3.252	10	70		FGIEMO
Cn1cc(CN2CCC[N@@H+](Cc3ncc(-c4ccccc4)s3)CC2)cn1	ZINC000159960016	495850168	/nfs/dbraw/zinc/85/01/68/495850168.db2.gz	OBMVRTABGRXGDM-UHFFFAOYSA-N	1	1	367.522	3.252	10	70		FGIEMO
O=C(CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1ccc(F)cc1	ZINC000160610009	496002831	/nfs/dbraw/zinc/00/28/31/496002831.db2.gz	RIZIWVDGXQQHLA-QGZVFWFLSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1ccc(F)cc1	ZINC000160610009	496002832	/nfs/dbraw/zinc/00/28/32/496002832.db2.gz	RIZIWVDGXQQHLA-QGZVFWFLSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1cccc(F)c1	ZINC000160661620	496015195	/nfs/dbraw/zinc/01/51/95/496015195.db2.gz	SNDFJUZNLCQKOJ-QGZVFWFLSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1cccc(F)c1	ZINC000160661620	496015199	/nfs/dbraw/zinc/01/51/99/496015199.db2.gz	SNDFJUZNLCQKOJ-QGZVFWFLSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095413	496101943	/nfs/dbraw/zinc/10/19/43/496101943.db2.gz	FYZOUUJKKSKUMY-IAGOWNOFSA-N	1	1	370.415	3.262	10	70		FGIEMO
O=C(CC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CCCC1	ZINC000161095056	496102928	/nfs/dbraw/zinc/10/29/28/496102928.db2.gz	FYZOUUJKKSKUMY-IRXDYDNUSA-N	1	1	370.415	3.262	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cccc(-c3ccccn3)c2)[C@@H](C)C1	ZINC000159596320	495766115	/nfs/dbraw/zinc/76/61/15/495766115.db2.gz	VTFPRUVHQUZWOD-JXFKEZNVSA-N	1	1	352.482	3.277	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cccc(-c3ccccn3)c2)C1	ZINC000159596216	495766339	/nfs/dbraw/zinc/76/63/39/495766339.db2.gz	VTFPRUVHQUZWOD-UZLBHIALSA-N	1	1	352.482	3.277	10	70		FGIEMO
Cn1nccc1C1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1	ZINC000160066901	495876912	/nfs/dbraw/zinc/87/69/12/495876912.db2.gz	BQTUZJZYQHVFJC-LJQANCHMSA-N	1	1	372.900	3.449	10	70		FGIEMO
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccccc1C(F)(F)F	ZINC000160634779	496008662	/nfs/dbraw/zinc/00/86/62/496008662.db2.gz	IYPQLKVFLYYBIX-CXAGYDPISA-N	1	1	356.388	3.271	10	70		FGIEMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccccc1C(F)(F)F	ZINC000160634779	496008666	/nfs/dbraw/zinc/00/86/66/496008666.db2.gz	IYPQLKVFLYYBIX-CXAGYDPISA-N	1	1	356.388	3.271	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)[C@@H](C)C1	ZINC000161130341	496109669	/nfs/dbraw/zinc/10/96/69/496109669.db2.gz	KDGPCDRGFYCQOK-YJBOKZPZSA-N	1	1	364.917	3.233	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1	ZINC000160530522	495984080	/nfs/dbraw/zinc/98/40/80/495984080.db2.gz	KJKCOSHHXKMCML-ATZDWAIDSA-N	1	1	357.498	3.131	10	70		FGIEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1	ZINC000160702199	496023342	/nfs/dbraw/zinc/02/33/42/496023342.db2.gz	QUWQOEGTRYDESA-WTGUMLROSA-N	1	1	357.498	3.175	10	70		FGIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2(c3ccccc3Cl)CCOCC2)C1	ZINC000161130248	496110125	/nfs/dbraw/zinc/11/01/25/496110125.db2.gz	KDGPCDRGFYCQOK-QAPCUYQASA-N	1	1	364.917	3.233	10	70		FGIEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(Br)c(F)c1	ZINC000159998106	495859636	/nfs/dbraw/zinc/85/96/36/495859636.db2.gz	OWXMOAZQDXBLCX-ZDUSSCGKSA-N	1	1	357.267	3.073	10	70		FGIEMO
CC(=O)Nc1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160458812	495967281	/nfs/dbraw/zinc/96/72/81/495967281.db2.gz	NZAZUDBQYXQOAH-OAHLLOKOSA-N	1	1	351.878	3.149	10	70		FGIEMO
COc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1OC(F)F	ZINC000160553615	495990278	/nfs/dbraw/zinc/99/02/78/495990278.db2.gz	BVZNEDANDHVBNK-CQSZACIVSA-N	1	1	356.413	3.147	10	70		FGIEMO
CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160680968	496018063	/nfs/dbraw/zinc/01/80/63/496018063.db2.gz	ZPRXEPGNHFHBAH-ZWCUEREDSA-N	1	1	374.525	3.280	10	70		FGIEMO
CN(C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCCc2ccccc21	ZINC000160783706	496041291	/nfs/dbraw/zinc/04/12/91/496041291.db2.gz	JTGBANLPNFJCCY-SYYKKAFVSA-N	1	1	356.510	3.149	10	70		FGIEMO
CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1cn(C)nc1C(F)(F)F	ZINC000160948959	496073786	/nfs/dbraw/zinc/07/37/86/496073786.db2.gz	NRYQJLKQSQHCNB-UHFFFAOYSA-N	1	1	358.383	3.142	10	70		FGIEMO
C[N@H+]1CCCC[C@H]1CN1CCN(c2ccnc3c(F)cc(F)cc23)CC1	ZINC000159382897	495720847	/nfs/dbraw/zinc/72/08/47/495720847.db2.gz	CXQCTTDIEVYKHF-INIZCTEOSA-N	1	1	360.452	3.119	10	70		FGIEMO
CCc1nccn1[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159464067	495737527	/nfs/dbraw/zinc/73/75/27/495737527.db2.gz	WMDIOOWKNUTTEO-GOSISDBHSA-N	1	1	360.546	3.367	10	70		FGIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CSCC(=O)c2ccc(Cl)cc2)[C@@H](C)C1	ZINC000161087477	496099716	/nfs/dbraw/zinc/09/97/16/496099716.db2.gz	FXORNQZGHSTBLJ-BBRMVZONSA-N	1	1	368.930	3.101	10	70		FGIEMO
O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2	ZINC000160289425	495928017	/nfs/dbraw/zinc/92/80/17/495928017.db2.gz	NOOCPNRAVVAUBB-SJKOYZFVSA-N	1	1	364.287	3.452	10	70		FGIEMO
O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2	ZINC000160289425	495928024	/nfs/dbraw/zinc/92/80/24/495928024.db2.gz	NOOCPNRAVVAUBB-SJKOYZFVSA-N	1	1	364.287	3.452	10	70		FGIEMO
Cn1cc([C@H]2CC[N@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)cn1	ZINC000159718148	495793384	/nfs/dbraw/zinc/79/33/84/495793384.db2.gz	KHEDNBFCHMCZOS-NSHDSACASA-N	1	1	360.259	3.048	10	70		FGIEMO
Cn1cc([C@H]2CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)cn1	ZINC000159718148	495793388	/nfs/dbraw/zinc/79/33/88/495793388.db2.gz	KHEDNBFCHMCZOS-NSHDSACASA-N	1	1	360.259	3.048	10	70		FGIEMO
Cn1cc([C@H]2CC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)cn1	ZINC000159718148	495793397	/nfs/dbraw/zinc/79/33/97/495793397.db2.gz	KHEDNBFCHMCZOS-NSHDSACASA-N	1	1	360.259	3.048	10	70		FGIEMO
Cn1cc([C@H]2CC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)cn1	ZINC000159718148	495793401	/nfs/dbraw/zinc/79/34/01/495793401.db2.gz	KHEDNBFCHMCZOS-NSHDSACASA-N	1	1	360.259	3.048	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)s1	ZINC000160378801	495949370	/nfs/dbraw/zinc/94/93/70/495949370.db2.gz	ZUYFNFYVXUXAND-GFCCVEGCSA-N	1	1	359.333	3.290	10	70		FGIEMO
Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C2CC2)cc1	ZINC000160921590	496067935	/nfs/dbraw/zinc/06/79/35/496067935.db2.gz	VJKYLJMJZKWSIM-KNQAVFIVSA-N	1	1	356.510	3.113	10	70		FGIEMO
O=C(CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)Nc1cccc(F)c1	ZINC000160661748	496015279	/nfs/dbraw/zinc/01/52/79/496015279.db2.gz	SNDFJUZNLCQKOJ-KRWDZBQOSA-N	1	1	371.460	3.309	10	70		FGIEMO
O=C(CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)Nc1cccc(F)c1	ZINC000160661748	496015281	/nfs/dbraw/zinc/01/52/81/496015281.db2.gz	SNDFJUZNLCQKOJ-KRWDZBQOSA-N	1	1	371.460	3.309	10	70		FGIEMO
CC(C)[C@H](O)CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000159553243	495758103	/nfs/dbraw/zinc/75/81/03/495758103.db2.gz	DIZRINPMQIUEEP-QGZVFWFLSA-N	1	1	373.324	3.481	10	70		FGIEMO
CC[C@H]1CN(CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1CCOC	ZINC000159928563	495842201	/nfs/dbraw/zinc/84/22/01/495842201.db2.gz	BMQHXDGWHUTPCB-INIZCTEOSA-N	1	1	360.420	3.170	10	70		FGIEMO
CC[C@H]1C[N@H+](CCc2cccc(OC(F)(F)F)c2)CCN1CCOC	ZINC000159928563	495842205	/nfs/dbraw/zinc/84/22/05/495842205.db2.gz	BMQHXDGWHUTPCB-INIZCTEOSA-N	1	1	360.420	3.170	10	70		FGIEMO
CC[C@H]1C[N@@H+](CCc2cccc(OC(F)(F)F)c2)CCN1CCOC	ZINC000159928563	495842208	/nfs/dbraw/zinc/84/22/08/495842208.db2.gz	BMQHXDGWHUTPCB-INIZCTEOSA-N	1	1	360.420	3.170	10	70		FGIEMO
CC[C@@H]1CN(CCc2cccc(OC(F)(F)F)c2)CC[N@H+]1CCOC	ZINC000159928442	495842331	/nfs/dbraw/zinc/84/23/31/495842331.db2.gz	BMQHXDGWHUTPCB-MRXNPFEDSA-N	1	1	360.420	3.170	10	70		FGIEMO
CC[C@@H]1C[N@H+](CCc2cccc(OC(F)(F)F)c2)CCN1CCOC	ZINC000159928442	495842334	/nfs/dbraw/zinc/84/23/34/495842334.db2.gz	BMQHXDGWHUTPCB-MRXNPFEDSA-N	1	1	360.420	3.170	10	70		FGIEMO
CC[C@@H]1C[N@@H+](CCc2cccc(OC(F)(F)F)c2)CCN1CCOC	ZINC000159928442	495842341	/nfs/dbraw/zinc/84/23/41/495842341.db2.gz	BMQHXDGWHUTPCB-MRXNPFEDSA-N	1	1	360.420	3.170	10	70		FGIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1	ZINC000160530681	495984735	/nfs/dbraw/zinc/98/47/35/495984735.db2.gz	KJKCOSHHXKMCML-KFKAGJAMSA-N	1	1	357.498	3.131	10	70		FGIEMO
NC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171612	496119552	/nfs/dbraw/zinc/11/95/52/496119552.db2.gz	PXXQNRMVOMNVSV-DLBZAZTESA-N	1	1	364.367	3.112	10	70		FGIEMO
NC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000161171612	496119554	/nfs/dbraw/zinc/11/95/54/496119554.db2.gz	PXXQNRMVOMNVSV-DLBZAZTESA-N	1	1	364.367	3.112	10	70		FGIEMO