smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@@H]12	ZINC000020756190	518660902	/nfs/dbraw/zinc/66/09/02/518660902.db2.gz	DMMIXJHWIBEAFH-MXCHMSEPSA-N	0	3	400.607	4.251	50	30		HIEAHN
N#CC(C(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(C(F)(F)F)cn1	ZINC000041553039	526507428	/nfs/dbraw/zinc/50/74/28/526507428.db2.gz	WPXVZZNLOLMIGW-AWEZNQCLSA-N	0	3	407.779	4.371	50	30		HIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019927963	558308415	/nfs/dbraw/zinc/30/84/15/558308415.db2.gz	SKLHFNPARQOLBP-JOCHJYFZSA-N	0	3	424.516	4.479	50	30		HIEAHN
C[C@H](ON=C(N)c1ccccc1CN1CCCCC1)c1nnc(-c2ccccc2)o1	ZINC000072311206	558778455	/nfs/dbraw/zinc/77/84/55/558778455.db2.gz	MENABGUXNVAINC-KRWDZBQOSA-N	0	3	405.502	4.121	50	30		HIEAHN
COc1ccc2nc(NC(=O)C(=O)C(C#N)c3ccc(Cl)c(Cl)c3)sc2c1	ZINC000017189787	558825256	/nfs/dbraw/zinc/82/52/56/558825256.db2.gz	ZHAWBQJIDJILLG-LLVKDONJSA-N	0	3	420.277	4.427	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1F	ZINC000100191079	559131713	/nfs/dbraw/zinc/13/17/13/559131713.db2.gz	KTXJZMOTNISJKY-WOOPDLCSSA-N	0	3	422.500	4.145	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1F	ZINC000020029230	568586504	/nfs/dbraw/zinc/58/65/04/568586504.db2.gz	YZWDGIFIAWASDP-NRFANRHFSA-N	0	3	410.489	4.054	50	30		HIEAHN
O=C(CC[C@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F	ZINC000012752808	568941567	/nfs/dbraw/zinc/94/15/67/568941567.db2.gz	HAWUOPIISSKHON-OAQYLSRUSA-N	0	3	408.517	4.191	50	30		HIEAHN
CCOC(=O)[C@]1(Cc2ccccc2)CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012430959	568994994	/nfs/dbraw/zinc/99/49/94/568994994.db2.gz	AMFRTTGSVWNKSQ-MHZLTWQESA-N	0	3	419.565	4.197	50	30		HIEAHN
CCc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)N(C)C)cc1	ZINC000032734081	524029474	/nfs/dbraw/zinc/02/94/74/524029474.db2.gz	SOSOASUYXXUETR-OAQYLSRUSA-N	0	3	408.571	4.148	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(F)c1	ZINC000019787699	558281945	/nfs/dbraw/zinc/28/19/45/558281945.db2.gz	JRRWJPZUJHXWQB-XRNAITRYSA-N	0	3	422.500	4.145	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	ZINC000019787897	558281972	/nfs/dbraw/zinc/28/19/72/558281972.db2.gz	BSJLNPXOISADCK-FOFRYPASSA-N	0	3	404.510	4.006	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F	ZINC000019882553	558301217	/nfs/dbraw/zinc/30/12/17/558301217.db2.gz	LUDOHFCNQIPLPO-IBGZPJMESA-N	0	3	416.880	4.009	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000020130038	558337003	/nfs/dbraw/zinc/33/70/03/558337003.db2.gz	FEBAMHYCYQYWMD-JOCHJYFZSA-N	0	3	406.526	4.224	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000020130038	558337004	/nfs/dbraw/zinc/33/70/04/558337004.db2.gz	FEBAMHYCYQYWMD-JOCHJYFZSA-N	0	3	406.526	4.224	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@@H]12	ZINC000061992800	560568549	/nfs/dbraw/zinc/56/85/49/560568549.db2.gz	WLRDUFWIFGLONX-HROMDODWSA-N	0	3	424.585	4.131	50	30		HIEAHN
Cc1cc(N2CCN(C3=C(Cl)C(=O)c4ccccc4C3=O)CC2)c2ccccc2n1	ZINC000018271139	560785722	/nfs/dbraw/zinc/78/57/22/560785722.db2.gz	LNWIJNIUZULAGE-UHFFFAOYSA-N	0	3	417.896	4.195	50	30		HIEAHN
Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020135575	568589872	/nfs/dbraw/zinc/58/98/72/568589872.db2.gz	SZHQSVSPASSAGX-JOCHJYFZSA-N	0	3	418.493	4.271	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1	ZINC000020171649	568592507	/nfs/dbraw/zinc/59/25/07/568592507.db2.gz	XSIAGSINYIVIFR-SFHVURJKSA-N	0	3	418.946	4.322	50	30		HIEAHN
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCCO	ZINC000004028838	568934247	/nfs/dbraw/zinc/93/42/47/568934247.db2.gz	JREAFELZSSHHGP-VSYWRSJOSA-N	0	3	403.563	4.246	50	30	biogenic	HIEAHN
N#CC(c1nc2ccccc2s1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl	ZINC000006662729	569085894	/nfs/dbraw/zinc/08/58/94/569085894.db2.gz	ZNAMNHGEHUMSTG-AWEZNQCLSA-N	0	3	410.861	4.349	50	30		HIEAHN
CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccccc3)c2C1	ZINC000019889344	569433133	/nfs/dbraw/zinc/43/31/33/569433133.db2.gz	UVQRHVPNXOTCKL-UHFFFAOYSA-N	0	3	414.534	4.339	50	30		HIEAHN
C=CCOc1ccccc1[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C(=O)[C@]23CCCN13	ZINC000011873992	845839069	/nfs/dbraw/zinc/83/90/69/845839069.db2.gz	KLGXTOOGMGPBMS-YBXDKENTSA-N	0	3	418.537	4.198	50	30		HIEAHN
C=CCNCc1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	ZINC000040734420	518951442	/nfs/dbraw/zinc/95/14/42/518951442.db2.gz	MXIWNQUVMOXPBI-UHFFFAOYSA-N	0	3	419.319	4.059	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)s1	ZINC000055042570	519332311	/nfs/dbraw/zinc/33/23/11/519332311.db2.gz	GLHGPYNRPFZUMK-INIZCTEOSA-N	0	3	411.596	4.239	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1	ZINC000020663818	524054614	/nfs/dbraw/zinc/05/46/14/524054614.db2.gz	ACCVNZQZECEMDO-LJQANCHMSA-N	0	3	410.495	4.024	50	30		HIEAHN
Cn1c(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1	ZINC000032865352	527083402	/nfs/dbraw/zinc/08/34/02/527083402.db2.gz	XGTAFTGAWYKTRL-CQSZACIVSA-N	0	3	421.507	4.167	50	30		HIEAHN
O=C(N=C(Nc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1)c1ccccc1	ZINC000032946317	527660918	/nfs/dbraw/zinc/66/09/18/527660918.db2.gz	JVSJFGHDFFTUKN-UHFFFAOYSA-N	0	3	408.521	4.384	50	30		HIEAHN
COc1ccc(CC2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)cc1	ZINC000004712940	557585855	/nfs/dbraw/zinc/58/58/55/557585855.db2.gz	DMRLKRJDAJNMDH-ANTKNQIZSA-N	0	3	405.479	4.369	50	30		HIEAHN
C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000005092001	559243883	/nfs/dbraw/zinc/24/38/83/559243883.db2.gz	HLIJUTRTSWJLDG-QWFCFKBJSA-N	0	3	414.509	4.463	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000006160154	569015529	/nfs/dbraw/zinc/01/55/29/569015529.db2.gz	GMWVZMSSJHEUJF-MOBKVPTQSA-N	0	3	406.526	4.067	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000006160154	569015530	/nfs/dbraw/zinc/01/55/30/569015530.db2.gz	GMWVZMSSJHEUJF-MOBKVPTQSA-N	0	3	406.526	4.067	50	30		HIEAHN
CN(C)CCn1c(SCc2ccccc2C#N)nc2c3ccccc3sc2c1=O	ZINC000009665239	571277954	/nfs/dbraw/zinc/27/79/54/571277954.db2.gz	IJAVVJWMWHAPKF-UHFFFAOYSA-N	0	3	420.563	4.337	50	30		HIEAHN
Fc1ccccc1-n1ncc2c1CCC[C@@H]2NCc1ccc(C#Cc2cncnc2)cc1	ZINC000012745229	845888743	/nfs/dbraw/zinc/88/87/43/845888743.db2.gz	VEVOGWYSKLSCEH-DEOSSOPVSA-N	0	3	423.495	4.368	50	30		HIEAHN
C=CCN(CC=C)[C@H]1CCc2c(sc3ncn(Cc4cccc(OC)c4)c(=O)c23)C1	ZINC000019145689	846353524	/nfs/dbraw/zinc/35/35/24/846353524.db2.gz	GHKXLIOQAQJRAR-SFHVURJKSA-N	0	3	421.566	4.046	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	ZINC000019787899	558281889	/nfs/dbraw/zinc/28/18/89/558281889.db2.gz	BSJLNPXOISADCK-OECAKDGASA-N	0	3	404.510	4.006	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(F)c1	ZINC000100191109	559131698	/nfs/dbraw/zinc/13/16/98/559131698.db2.gz	RXJZVDFJMZDPGF-YAOQVBECSA-N	0	3	422.500	4.145	50	30		HIEAHN
COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3c[nH]c(C#N)c3)C2)cc1Cl	ZINC000095516930	568635082	/nfs/dbraw/zinc/63/50/82/568635082.db2.gz	NORQPWLOOLWXAS-OAHLLOKOSA-N	0	3	400.910	4.179	50	30		HIEAHN
N#Cc1ccc(CN2CCC(Nc3ccc(I)cc3)CC2)cc1	ZINC000096009181	568683652	/nfs/dbraw/zinc/68/36/52/568683652.db2.gz	RJFZSDOTKLWUEH-UHFFFAOYSA-N	0	3	417.294	4.239	50	30		HIEAHN
C#CCN(CC=C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1	ZINC000020210887	569018766	/nfs/dbraw/zinc/01/87/66/569018766.db2.gz	AXISVDYPLSTABQ-UHFFFAOYSA-N	0	3	402.538	4.034	50	30		HIEAHN
C=CCOc1cccc2c1cc(C(=O)NCCN1CCCCC1)n2Cc1ccccc1	ZINC000035908457	519064483	/nfs/dbraw/zinc/06/44/83/519064483.db2.gz	WXHMNCWUPGGYBI-UHFFFAOYSA-N	0	3	417.553	4.470	50	30		HIEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020024361	558322076	/nfs/dbraw/zinc/32/20/76/558322076.db2.gz	KMMDACVSABYORU-FQEVSTJZSA-N	0	3	412.917	4.178	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1	ZINC000020133151	558337234	/nfs/dbraw/zinc/33/72/34/558337234.db2.gz	IWTRTIVWWNAGIJ-HXUWFJFHSA-N	0	3	424.522	4.414	50	30		HIEAHN
C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)c1ccccc1	ZINC000004368851	558462305	/nfs/dbraw/zinc/46/23/05/558462305.db2.gz	OENSZQPBRXIPLS-AFUMVMLFSA-N	0	3	410.543	4.158	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@@H]12	ZINC000061991152	560564681	/nfs/dbraw/zinc/56/46/81/560564681.db2.gz	QFCBTOZSDBUXDI-HROMDODWSA-N	0	3	424.585	4.131	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1	ZINC000005488584	560597645	/nfs/dbraw/zinc/59/76/45/560597645.db2.gz	QUIXAACPIIRBTO-SELCWUDQSA-N	0	3	418.946	4.165	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1	ZINC000020150147	568590652	/nfs/dbraw/zinc/59/06/52/568590652.db2.gz	BMZKTYYVPOLHGR-FQEVSTJZSA-N	0	3	424.884	4.226	50	30		HIEAHN
CCOc1ccc(NC(=S)NCCCN2CCN(C3CCCCC3)CC2)cc1	ZINC000020153941	568590903	/nfs/dbraw/zinc/59/09/03/568590903.db2.gz	UXGXCSOCOQWEDV-UHFFFAOYSA-N	0	3	404.624	4.123	50	30		HIEAHN
COc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCCCC3)c3ccccc23)cc1	ZINC000020439339	568607413	/nfs/dbraw/zinc/60/74/13/568607413.db2.gz	OKSYQPKZVZXOAH-FZNBYNMYSA-N	0	3	418.537	4.393	50	30		HIEAHN
Cc1cccc(CC(=O)N2CCC3(CC2)Nc2cccnc2N=C3NC2CCCC2)c1	ZINC000096309732	568724004	/nfs/dbraw/zinc/72/40/04/568724004.db2.gz	NBKSVTCSSJCIAN-UHFFFAOYSA-N	0	3	417.557	4.172	50	30		HIEAHN
C=CCOc1ccccc1CN1CCC(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1	ZINC000011936055	568992676	/nfs/dbraw/zinc/99/26/76/568992676.db2.gz	VHCHTEWSRCISIG-UHFFFAOYSA-N	0	3	416.525	4.492	50	30		HIEAHN
C=CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036249858	518983108	/nfs/dbraw/zinc/98/31/08/518983108.db2.gz	RTZXILRZMDPBSP-NRFANRHFSA-N	0	3	413.562	4.107	50	30		HIEAHN
O=C(c1ccccc1Br)C(C(=S)[N-]Cc1ccco1)[n+]1ccccc1	ZINC000023230652	527589248	/nfs/dbraw/zinc/58/92/48/527589248.db2.gz	XCGBNMSWQFVELA-UHFFFAOYSA-O	0	3	416.320	4.058	50	30		HIEAHN
COc1ccc(CC2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)cc1	ZINC000004712941	557585940	/nfs/dbraw/zinc/58/59/40/557585940.db2.gz	DMRLKRJDAJNMDH-IQZBWDKASA-N	0	3	405.479	4.369	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1F	ZINC000019787409	558281624	/nfs/dbraw/zinc/28/16/24/558281624.db2.gz	OFTVBCBSQYSOQJ-PQIDUSIDSA-N	0	3	422.500	4.145	50	30		HIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000019882905	558301506	/nfs/dbraw/zinc/30/15/06/558301506.db2.gz	ZJBSCYOVWFUVON-NRFANRHFSA-N	0	3	410.489	4.089	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@H]12	ZINC000061992803	560568556	/nfs/dbraw/zinc/56/85/56/560568556.db2.gz	WLRDUFWIFGLONX-DHWOPMESSA-N	0	3	424.585	4.131	50	30		HIEAHN
Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020135571	568589884	/nfs/dbraw/zinc/58/98/84/568589884.db2.gz	SZHQSVSPASSAGX-QFIPXVFZSA-N	0	3	418.493	4.271	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1	ZINC000020150148	568590705	/nfs/dbraw/zinc/59/07/05/568590705.db2.gz	BMZKTYYVPOLHGR-HXUWFJFHSA-N	0	3	424.884	4.226	50	30		HIEAHN
COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2c[nH]c(C#N)c2)C1	ZINC000095501075	568634933	/nfs/dbraw/zinc/63/49/33/568634933.db2.gz	SARKGDLJAPLCRK-OAHLLOKOSA-N	0	3	400.910	4.179	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@@H]12	ZINC000059408467	568952802	/nfs/dbraw/zinc/95/28/02/568952802.db2.gz	QFCBTOZSDBUXDI-IUSCBXDMSA-N	0	3	424.585	4.131	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5OC)CC4)[C@H]3C[C@@H]12	ZINC000059408567	568952812	/nfs/dbraw/zinc/95/28/12/568952812.db2.gz	XPFOUNMBEZRCMG-KBDYNSQWSA-N	0	3	424.585	4.131	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)cc1	ZINC000012585175	568995076	/nfs/dbraw/zinc/99/50/76/568995076.db2.gz	FCDXKRGBNWQIAK-UHFFFAOYSA-N	0	3	405.582	4.406	50	30		HIEAHN
C=CCN(CC=C)[C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c32)C1	ZINC000015003205	569004099	/nfs/dbraw/zinc/00/40/99/569004099.db2.gz	XGXYTOHDLVHNDM-LJQANCHMSA-N	0	3	417.578	4.329	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1	ZINC000006785128	569121485	/nfs/dbraw/zinc/12/14/85/569121485.db2.gz	PJUOMGWJMDBCDF-JBCNATCCSA-N	0	3	422.481	4.098	50	30		HIEAHN
C=CCn1c(COc2ccccc2F)nnc1SCCN(C)Cc1ccccc1	ZINC000253433649	569370621	/nfs/dbraw/zinc/37/06/21/569370621.db2.gz	ZQYFUVSKUDAXBX-UHFFFAOYSA-N	0	3	412.534	4.406	50	30		HIEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000005800782	557799437	/nfs/dbraw/zinc/79/94/37/557799437.db2.gz	DHFNDIPWOJLNNI-YDJIHCHBSA-N	0	3	412.917	4.022	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Cl)c1	ZINC000020135321	558337450	/nfs/dbraw/zinc/33/74/50/558337450.db2.gz	FGXAQWJTDJFRLJ-SFHVURJKSA-N	0	3	418.946	4.322	50	30		HIEAHN
C[C@@H](ON=C(N)c1ccccc1CN1CCCCC1)c1nnc(-c2ccccc2)o1	ZINC000072311207	558778362	/nfs/dbraw/zinc/77/83/62/558778362.db2.gz	MENABGUXNVAINC-QGZVFWFLSA-N	0	3	405.502	4.121	50	30		HIEAHN
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)O[C@H](C)COC	ZINC000004889419	559197848	/nfs/dbraw/zinc/19/78/48/559197848.db2.gz	GWABGCGQESQLSW-QZTJIDSGSA-N	0	3	412.534	4.222	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1	ZINC000102863827	560832408	/nfs/dbraw/zinc/83/24/08/560832408.db2.gz	CROJBUGKJPWAQB-HOGKFDNTSA-N	0	3	418.493	4.196	50	30		HIEAHN
COc1ccc([C@H](CNc2oc(COc3ccc(C)cc3C)nc2C#N)N(C)C)cc1	ZINC000027991356	568775809	/nfs/dbraw/zinc/77/58/09/568775809.db2.gz	ALVJBRVEOANGDN-NRFANRHFSA-N	0	3	420.513	4.466	50	30		HIEAHN
CC1(C)Cc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3)sc2C(C)(C)N1	ZINC000001308158	568913595	/nfs/dbraw/zinc/91/35/95/568913595.db2.gz	UANOLKAQSNVPJC-UHFFFAOYSA-N	0	3	403.935	4.450	50	30		HIEAHN
NC(=NOCc1coc(-c2cccc(F)c2)n1)c1cccc(CN2CCCCC2)c1	ZINC000084363211	568947475	/nfs/dbraw/zinc/94/74/75/568947475.db2.gz	BOXFVYSYTQLXFV-UHFFFAOYSA-N	0	3	408.477	4.304	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000006785148	569121519	/nfs/dbraw/zinc/12/15/19/569121519.db2.gz	FKABMQIVSNGYPG-YDJIHCHBSA-N	0	3	412.917	4.104	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000006785148	569121521	/nfs/dbraw/zinc/12/15/21/569121521.db2.gz	FKABMQIVSNGYPG-YDJIHCHBSA-N	0	3	412.917	4.104	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000006785274	569121686	/nfs/dbraw/zinc/12/16/86/569121686.db2.gz	FKABMQIVSNGYPG-NHFXJNLRSA-N	0	3	412.917	4.104	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000006785274	569121687	/nfs/dbraw/zinc/12/16/87/569121687.db2.gz	FKABMQIVSNGYPG-NHFXJNLRSA-N	0	3	412.917	4.104	50	30		HIEAHN
COc1ccc(CC2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1	ZINC000252599919	569296767	/nfs/dbraw/zinc/29/67/67/569296767.db2.gz	DMRLKRJDAJNMDH-HXUWFJFHSA-N	0	3	405.479	4.369	50	30		HIEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000040089613	571159770	/nfs/dbraw/zinc/15/97/70/571159770.db2.gz	ISZDQCXYHIKIJT-RBBKRZOGSA-N	0	3	422.488	4.311	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1F	ZINC000019787407	558281720	/nfs/dbraw/zinc/28/17/20/558281720.db2.gz	OFTVBCBSQYSOQJ-QGCDDDHDSA-N	0	3	422.500	4.145	50	30		HIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019883223	558301469	/nfs/dbraw/zinc/30/14/69/558301469.db2.gz	QEKGTDJEAFJOPR-JOCHJYFZSA-N	0	3	406.526	4.340	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1	ZINC000019884958	558301911	/nfs/dbraw/zinc/30/19/11/558301911.db2.gz	VYYMIPZGFDJCFS-IBGZPJMESA-N	0	3	416.880	4.009	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000019926886	558308089	/nfs/dbraw/zinc/30/80/89/558308089.db2.gz	XHQIUWIFGGRLJP-QGZVFWFLSA-N	0	3	423.296	4.116	50	30		HIEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020024365	558322040	/nfs/dbraw/zinc/32/20/40/558322040.db2.gz	KMMDACVSABYORU-HXUWFJFHSA-N	0	3	412.917	4.178	50	30		HIEAHN
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)O[C@H](C)COC	ZINC000004889420	559197803	/nfs/dbraw/zinc/19/78/03/559197803.db2.gz	GWABGCGQESQLSW-MSOLQXFVSA-N	0	3	412.534	4.222	50	30		HIEAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C#N)cc4)[C@H]3C2=O)c(C)c1	ZINC000102768207	560825133	/nfs/dbraw/zinc/82/51/33/560825133.db2.gz	HPYXJYJECHFNPV-TZRRMPRUSA-N	0	3	423.472	4.226	50	30		HIEAHN
COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(Cc2c[nH]c(C#N)c2)C1	ZINC000095501074	568635101	/nfs/dbraw/zinc/63/51/01/568635101.db2.gz	SARKGDLJAPLCRK-HNNXBMFYSA-N	0	3	400.910	4.179	50	30		HIEAHN
C=CCN(CC=C)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4OC)c(=O)c23)C1	ZINC000014956301	569004136	/nfs/dbraw/zinc/00/41/36/569004136.db2.gz	FBJJHCCSVKAVCB-GOSISDBHSA-N	0	3	421.566	4.046	50	30		HIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008856369	571127972	/nfs/dbraw/zinc/12/79/72/571127972.db2.gz	LVZQMOPRLDFXGG-HXUWFJFHSA-N	0	3	412.917	4.178	50	30		HIEAHN
CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)CC1	ZINC000005025190	132298640	/nfs/dbraw/zinc/29/86/40/132298640.db2.gz	VECNAZHXJOSSLT-LJQANCHMSA-N	0	3	400.482	4.217	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@H]12	ZINC000020756208	518662024	/nfs/dbraw/zinc/66/20/24/518662024.db2.gz	DMMIXJHWIBEAFH-FYEJASGKSA-N	0	3	400.607	4.251	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1	ZINC000019938572	558312939	/nfs/dbraw/zinc/31/29/39/558312939.db2.gz	MSLCLGULPLBSTA-NRFANRHFSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(C)cc1	ZINC000019938572	558312941	/nfs/dbraw/zinc/31/29/41/558312941.db2.gz	MSLCLGULPLBSTA-NRFANRHFSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccs1	ZINC000019938550	558312991	/nfs/dbraw/zinc/31/29/91/558312991.db2.gz	YVPAZTQTPFFWQI-GOSISDBHSA-N	0	3	418.946	4.322	50	30		HIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000005563578	560619180	/nfs/dbraw/zinc/61/91/80/560619180.db2.gz	GSCQXKALHAYPIB-MOBKVPTQSA-N	0	3	406.526	4.183	50	30		HIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000018009872	560749431	/nfs/dbraw/zinc/74/94/31/560749431.db2.gz	LAZAXLWGJYLTNH-QFIPXVFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102511925	560815159	/nfs/dbraw/zinc/81/51/59/560815159.db2.gz	SIXYKWOKTQTPKK-MOBKVPTQSA-N	0	3	406.526	4.102	50	30		HIEAHN
CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020230147	568595213	/nfs/dbraw/zinc/59/52/13/568595213.db2.gz	QLKSKVXPGLHBAH-JOCHJYFZSA-N	0	3	422.525	4.004	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Cl)c1	ZINC000006785312	569121722	/nfs/dbraw/zinc/12/17/22/569121722.db2.gz	VISKNDAJASLFMV-GHNGSUTGSA-N	0	3	418.946	4.165	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@@H]12	ZINC000020756203	518661925	/nfs/dbraw/zinc/66/19/25/518661925.db2.gz	DMMIXJHWIBEAFH-LEKAPFLCSA-N	0	3	400.607	4.251	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000019787843	558282022	/nfs/dbraw/zinc/28/20/22/558282022.db2.gz	PZUISHGBBWKTNB-XLBCKKMLSA-N	0	3	422.500	4.145	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000019883934	558301938	/nfs/dbraw/zinc/30/19/38/558301938.db2.gz	BLGBHCJPYXFKRZ-LJQANCHMSA-N	0	3	416.880	4.009	50	30		HIEAHN
C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000013749563	558589387	/nfs/dbraw/zinc/58/93/87/558589387.db2.gz	HLIJUTRTSWJLDG-WSTZPKSXSA-N	0	3	414.509	4.463	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12	ZINC000061992805	560568520	/nfs/dbraw/zinc/56/85/20/560568520.db2.gz	DYNOLVYTIQFOGO-MXCHMSEPSA-N	0	3	412.549	4.262	50	30		HIEAHN
CCCCC1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O	ZINC000101219152	560790186	/nfs/dbraw/zinc/79/01/86/560790186.db2.gz	MJCLIFNCNGDXDK-MKSIGINJSA-N	0	3	402.541	4.379	50	30		HIEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1CNCCO	ZINC000016041554	569028155	/nfs/dbraw/zinc/02/81/55/569028155.db2.gz	JREAFELZSSHHGP-NAMDQGSHSA-N	0	3	403.563	4.246	50	30		HIEAHN
Cc1c(=O)c2cccc(-c3nc(C#N)c(NCCN(C)C)o3)c2oc1-c1ccccc1	ZINC000036360840	569151990	/nfs/dbraw/zinc/15/19/90/569151990.db2.gz	YZCDCZZQRWHZTA-UHFFFAOYSA-N	0	3	414.465	4.269	50	30		HIEAHN
CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3ccsc3)c2C1	ZINC000012950057	569405139	/nfs/dbraw/zinc/40/51/39/569405139.db2.gz	XYEVHDHICJNEPS-UHFFFAOYSA-N	0	3	420.563	4.400	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000019703257	569428734	/nfs/dbraw/zinc/42/87/34/569428734.db2.gz	OZEZSCLKRONVDV-IUSCBXDMSA-N	0	3	408.586	4.118	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000100191171	520655147	/nfs/dbraw/zinc/65/51/47/520655147.db2.gz	YKHOZUFFJPGURJ-VOCPSOEZSA-N	0	3	422.500	4.145	50	30		HIEAHN
CN(CCCNC(=O)/C=C/c1cn(CCC#N)c2ccccc12)Cc1ccccc1	ZINC000040043406	522753902	/nfs/dbraw/zinc/75/39/02/522753902.db2.gz	JZRSNILRSLDCQA-BUHFOSPRSA-N	0	3	400.526	4.206	50	30		HIEAHN
COc1ccccc1Nc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1	ZINC000025930215	524653209	/nfs/dbraw/zinc/65/32/09/524653209.db2.gz	GQDRJECVUVSFKP-LLVKDONJSA-N	0	3	417.541	4.024	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000019787524	558281675	/nfs/dbraw/zinc/28/16/75/558281675.db2.gz	XTGNITQMHGCMEC-OPAHAADXSA-N	0	3	418.537	4.315	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000019787845	558281968	/nfs/dbraw/zinc/28/19/68/558281968.db2.gz	PZUISHGBBWKTNB-BXSCNJMXSA-N	0	3	422.500	4.145	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F	ZINC000019882556	558301596	/nfs/dbraw/zinc/30/15/96/558301596.db2.gz	LUDOHFCNQIPLPO-LJQANCHMSA-N	0	3	416.880	4.009	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1	ZINC000100191181	559131676	/nfs/dbraw/zinc/13/16/76/559131676.db2.gz	RZMYPCSNEHEULF-TVXVBNPNSA-N	0	3	404.510	4.006	50	30		HIEAHN
CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(s1)c(C)ccc2OC	ZINC000005122180	559248642	/nfs/dbraw/zinc/24/86/42/559248642.db2.gz	SLOWDUHQIMCDTA-UHFFFAOYSA-N	0	3	422.554	4.474	50	30		HIEAHN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102511933	560815145	/nfs/dbraw/zinc/81/51/45/560815145.db2.gz	SIXYKWOKTQTPKK-HOGKFDNTSA-N	0	3	406.526	4.102	50	30		HIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1	ZINC000020082790	568587588	/nfs/dbraw/zinc/58/75/88/568587588.db2.gz	ANVMJIRGBBCRSG-QFIPXVFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccc2)cc1	ZINC000020082790	568587590	/nfs/dbraw/zinc/58/75/90/568587590.db2.gz	ANVMJIRGBBCRSG-QFIPXVFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1	ZINC000020149946	568590676	/nfs/dbraw/zinc/59/06/76/568590676.db2.gz	CGOZCAAYNTVHQV-JOCHJYFZSA-N	0	3	418.493	4.353	50	30		HIEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000005883996	568828068	/nfs/dbraw/zinc/82/80/68/568828068.db2.gz	DHFNDIPWOJLNNI-NHFXJNLRSA-N	0	3	412.917	4.022	50	30		HIEAHN
CC(C)Oc1cccc(C(=O)[C@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)c1	ZINC000012708638	568995817	/nfs/dbraw/zinc/99/58/17/568995817.db2.gz	UUTFZGARZAYLSG-DEOSSOPVSA-N	0	3	405.538	4.303	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Cl)c1	ZINC000009240786	571240732	/nfs/dbraw/zinc/24/07/32/571240732.db2.gz	SSADOHHUKNRCFT-YDJIHCHBSA-N	0	3	424.884	4.070	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C[C@H]12	ZINC000020756197	518660608	/nfs/dbraw/zinc/66/06/08/518660608.db2.gz	DMMIXJHWIBEAFH-BBPVLXATSA-N	0	3	400.607	4.251	50	30		HIEAHN
COc1ccccc1Nc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)s1	ZINC000025930218	524652683	/nfs/dbraw/zinc/65/26/83/524652683.db2.gz	GQDRJECVUVSFKP-NSHDSACASA-N	0	3	417.541	4.024	50	30		HIEAHN
Cc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc1C	ZINC000001890730	557294348	/nfs/dbraw/zinc/29/43/48/557294348.db2.gz	ZQNREZVADFWYSW-UHFFFAOYSA-N	0	3	413.934	4.391	50	30		HIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019927960	558308358	/nfs/dbraw/zinc/30/83/58/558308358.db2.gz	SKLHFNPARQOLBP-QFIPXVFZSA-N	0	3	424.516	4.479	50	30		HIEAHN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000017044766	558812821	/nfs/dbraw/zinc/81/28/21/558812821.db2.gz	HLLKFWDJJPPZKA-JOCHJYFZSA-N	0	3	422.525	4.004	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@H]12	ZINC000061992808	560568674	/nfs/dbraw/zinc/56/86/74/560568674.db2.gz	DYNOLVYTIQFOGO-FYEJASGKSA-N	0	3	412.549	4.262	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)o1	ZINC000005488645	560597656	/nfs/dbraw/zinc/59/76/56/560597656.db2.gz	PSECANMZWVVVCU-WOOAAIBNSA-N	0	3	416.905	4.005	50	30		HIEAHN
C[C@@H]1CCc2c(sc3ncnc(N4CCCN(Cc5ccc(C#N)cc5)CC4)c23)C1	ZINC000012569391	568861346	/nfs/dbraw/zinc/86/13/46/568861346.db2.gz	KIFFDDFGRFQDTO-QGZVFWFLSA-N	0	3	417.582	4.400	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)o1	ZINC000006294608	569038075	/nfs/dbraw/zinc/03/80/75/569038075.db2.gz	PSECANMZWVVVCU-LFVOPCPISA-N	0	3	416.905	4.005	50	30		HIEAHN
CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1	ZINC000012573747	845876235	/nfs/dbraw/zinc/87/62/35/845876235.db2.gz	WWYLKNZCZWLOLZ-UHFFFAOYSA-N	0	3	419.565	4.197	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@H]12	ZINC000082051523	852543692	/nfs/dbraw/zinc/54/36/92/852543692.db2.gz	QFCBTOZSDBUXDI-CFXNPWLASA-N	0	3	424.585	4.131	50	30		HIEAHN
N#Cc1cccc(OCCN2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)c1	ZINC000071889702	557298048	/nfs/dbraw/zinc/29/80/48/557298048.db2.gz	JCLWJSLURRDNOV-OAQYLSRUSA-N	0	3	400.482	4.257	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000019771516	558279963	/nfs/dbraw/zinc/27/99/63/558279963.db2.gz	VEMJXTVEBYZPSM-NRFANRHFSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000019771516	558279966	/nfs/dbraw/zinc/27/99/66/558279966.db2.gz	VEMJXTVEBYZPSM-NRFANRHFSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000100635485	559137176	/nfs/dbraw/zinc/13/71/76/559137176.db2.gz	MVBMZSPVANJNCA-KROBSHITSA-N	0	3	418.537	4.315	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@H]12	ZINC000061999363	560565287	/nfs/dbraw/zinc/56/52/87/560565287.db2.gz	XQXNTSRSLXYYTI-CFXNPWLASA-N	0	3	408.586	4.431	50	30		HIEAHN
CC(C)Oc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000020230145	568595107	/nfs/dbraw/zinc/59/51/07/568595107.db2.gz	QLKSKVXPGLHBAH-QFIPXVFZSA-N	0	3	422.525	4.004	50	30		HIEAHN
Cc1cccc(CC(=O)N2CCC3(CC2)Nc2cccnc2N=C3NC(C)(C)C)c1	ZINC000096309758	568673955	/nfs/dbraw/zinc/67/39/55/568673955.db2.gz	ABGYWQMRWRYBAK-UHFFFAOYSA-N	0	3	405.546	4.028	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1	ZINC000013594484	569000326	/nfs/dbraw/zinc/00/03/26/569000326.db2.gz	SXMJDSFQLMRDNK-RUZDIDTESA-N	0	3	411.973	4.280	50	30		HIEAHN
Fc1ccc(N[C@@H]2CCCN(Cc3ccc(C#Cc4cncnc4)cc3)C2)cc1F	ZINC000014957352	569004273	/nfs/dbraw/zinc/00/42/73/569004273.db2.gz	NFKIJFHTVCDVKQ-JOCHJYFZSA-N	0	3	404.464	4.231	50	30		HIEAHN
Cc1csc(C(C#N)C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)n1	ZINC000007183030	569227760	/nfs/dbraw/zinc/22/77/60/569227760.db2.gz	LEIUPDGUSBGWJU-CYBMUJFWSA-N	0	3	401.542	4.324	50	30		HIEAHN
CN(C)[C@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1cccs1	ZINC000027794178	569395331	/nfs/dbraw/zinc/39/53/31/569395331.db2.gz	UHTMVMQDATWUPN-LLVKDONJSA-N	0	3	407.293	4.345	50	30		HIEAHN
C#CCN(CC=C)C(=O)c1cccc(OC2CCN(CCc3ccccc3)CC2)c1	ZINC000020857236	518257205	/nfs/dbraw/zinc/25/72/05/518257205.db2.gz	BMJPFIDWKGCAMK-UHFFFAOYSA-N	0	3	402.538	4.034	50	30		HIEAHN
C=CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036249859	518992320	/nfs/dbraw/zinc/99/23/20/518992320.db2.gz	RTZXILRZMDPBSP-OAQYLSRUSA-N	0	3	413.562	4.107	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000020130036	558337079	/nfs/dbraw/zinc/33/70/79/558337079.db2.gz	FEBAMHYCYQYWMD-QFIPXVFZSA-N	0	3	406.526	4.224	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000020130036	558337080	/nfs/dbraw/zinc/33/70/80/558337080.db2.gz	FEBAMHYCYQYWMD-QFIPXVFZSA-N	0	3	406.526	4.224	50	30		HIEAHN
CC[NH+](CC)CCOC(=O)c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1	ZINC000098212992	559128126	/nfs/dbraw/zinc/12/81/26/559128126.db2.gz	DXGZDQWIUJPWEM-HYARGMPZSA-N	0	3	419.319	4.404	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@@H]12	ZINC000061992807	560568664	/nfs/dbraw/zinc/56/86/64/560568664.db2.gz	DYNOLVYTIQFOGO-LEKAPFLCSA-N	0	3	412.549	4.262	50	30		HIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000104198267	560849619	/nfs/dbraw/zinc/84/96/19/560849619.db2.gz	YDCWPCVSJXEITH-NHFXJNLRSA-N	0	3	412.917	4.022	50	30		HIEAHN
CN(C)c1ccc(-n2cc(O)c(-c3nc(-c4ccc(Cl)cc4)cs3)c2N)cc1	ZINC000003176723	568477736	/nfs/dbraw/zinc/47/77/36/568477736.db2.gz	PLYMSZMCQPYYEM-UHFFFAOYSA-N	0	3	410.930	4.246	50	30		HIEAHN
C=CCOc1ccccc1CN1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1	ZINC000012306383	568994254	/nfs/dbraw/zinc/99/42/54/568994254.db2.gz	RRRFLODBTHEZJR-JOCHJYFZSA-N	0	3	421.585	4.340	50	30		HIEAHN
COc1ccc(CC2SC(=NN=Cc3ccco3)N(c3ccccc3)C2=O)cc1	ZINC000252599918	569296800	/nfs/dbraw/zinc/29/68/00/569296800.db2.gz	DMRLKRJDAJNMDH-FQEVSTJZSA-N	0	3	405.479	4.369	50	30		HIEAHN
N#Cc1cc([N+](=O)[O-])ccc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000009752516	571284304	/nfs/dbraw/zinc/28/43/04/571284304.db2.gz	FPXLKMMHNSDJPG-UHFFFAOYSA-N	0	3	404.392	4.198	50	30		HIEAHN
N#CC(C(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(C(F)(F)F)cn1	ZINC000041553041	526493903	/nfs/dbraw/zinc/49/39/03/526493903.db2.gz	WPXVZZNLOLMIGW-CQSZACIVSA-N	0	3	407.779	4.371	50	30		HIEAHN
Cn1c(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)nnc1-c1ccco1	ZINC000032865353	527083326	/nfs/dbraw/zinc/08/33/26/527083326.db2.gz	XGTAFTGAWYKTRL-AWEZNQCLSA-N	0	3	421.507	4.167	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)o1	ZINC000019938558	558312987	/nfs/dbraw/zinc/31/29/87/558312987.db2.gz	ZRRACCLSSHBJMB-IBGZPJMESA-N	0	3	416.905	4.162	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1F	ZINC000020029231	568586487	/nfs/dbraw/zinc/58/64/87/568586487.db2.gz	YZWDGIFIAWASDP-OAQYLSRUSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1	ZINC000020082786	568587618	/nfs/dbraw/zinc/58/76/18/568587618.db2.gz	ANVMJIRGBBCRSG-JOCHJYFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccc2)cc1	ZINC000020082786	568587621	/nfs/dbraw/zinc/58/76/21/568587621.db2.gz	ANVMJIRGBBCRSG-JOCHJYFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
COc1ccc(C(=O)N=C(Nc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1	ZINC000015729084	568979614	/nfs/dbraw/zinc/97/96/14/568979614.db2.gz	IAPMLIHIRTWFIT-UHFFFAOYSA-N	0	3	420.557	4.254	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@](CO)(CCCc3ccccc3)C2)s1	ZINC000015065530	569004432	/nfs/dbraw/zinc/00/44/32/569004432.db2.gz	YGFJQMYXLGHSQQ-RUZDIDTESA-N	0	3	411.611	4.468	50	30		HIEAHN
Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CSCc3ccc(C#N)cc3)C2)s1	ZINC000328591716	569415116	/nfs/dbraw/zinc/41/51/16/569415116.db2.gz	YUSPXIPLOWRWGG-FQEVSTJZSA-N	0	3	413.612	4.142	50	30		HIEAHN
C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000328596694	569416175	/nfs/dbraw/zinc/41/61/75/569416175.db2.gz	QIVAVXBYPDPGSX-SWLSCSKDSA-N	0	3	414.259	4.050	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000019808918	569430483	/nfs/dbraw/zinc/43/04/83/569430483.db2.gz	VSOBKJAREKPKGB-FQEVSTJZSA-N	0	3	412.917	4.260	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000019808918	569430485	/nfs/dbraw/zinc/43/04/85/569430485.db2.gz	VSOBKJAREKPKGB-FQEVSTJZSA-N	0	3	412.917	4.260	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccs1	ZINC000008838308	571123506	/nfs/dbraw/zinc/12/35/06/571123506.db2.gz	RACPCKRHTWFKLU-YDJIHCHBSA-N	0	3	424.522	4.258	50	30		HIEAHN
Fc1ccccc1-n1ncc2c1CCC[C@H]2NCc1ccc(C#Cc2cncnc2)cc1	ZINC000012745232	845889222	/nfs/dbraw/zinc/88/92/22/845889222.db2.gz	VEVOGWYSKLSCEH-XMMPIXPASA-N	0	3	423.495	4.368	50	30		HIEAHN
CN(Cc1ccc(C#CC(C)(C)O)s1)[C@@H]1CCCN(Cc2ccccc2F)C1	ZINC000020598889	523203710	/nfs/dbraw/zinc/20/37/10/523203710.db2.gz	MGGROYNCQQNYRE-LJQANCHMSA-N	0	3	400.563	4.106	50	30		HIEAHN
N#Cc1cccc(OCCN2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1	ZINC000071890589	557317936	/nfs/dbraw/zinc/31/79/36/557317936.db2.gz	MUKHZVFREFKFGM-NRFANRHFSA-N	0	3	418.472	4.396	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(C)cc1	ZINC000019787526	558281699	/nfs/dbraw/zinc/28/16/99/558281699.db2.gz	XTGNITQMHGCMEC-MDOTZGTBSA-N	0	3	418.537	4.315	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000019817605	558287964	/nfs/dbraw/zinc/28/79/64/558287964.db2.gz	BSAZBKZMBTVTJP-HXUWFJFHSA-N	0	3	412.917	4.260	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000019817605	558287966	/nfs/dbraw/zinc/28/79/66/558287966.db2.gz	BSAZBKZMBTVTJP-HXUWFJFHSA-N	0	3	412.917	4.260	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(C)o1	ZINC000020131831	558337267	/nfs/dbraw/zinc/33/72/67/558337267.db2.gz	WDBNPISYVXPLFE-OAQYLSRUSA-N	0	3	422.481	4.254	50	30		HIEAHN
CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(OCC#N)cc1	ZINC000072289412	558723106	/nfs/dbraw/zinc/72/31/06/558723106.db2.gz	LNBAKXVNRWBQSE-JOCHJYFZSA-N	0	3	406.530	4.183	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(F)c1	ZINC000100191117	559131704	/nfs/dbraw/zinc/13/17/04/559131704.db2.gz	RXJZVDFJMZDPGF-ZVQQDINOSA-N	0	3	422.500	4.145	50	30		HIEAHN
CCCCC1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O	ZINC000101219151	560790212	/nfs/dbraw/zinc/79/02/12/560790212.db2.gz	MJCLIFNCNGDXDK-PNBGARPFSA-N	0	3	402.541	4.379	50	30		HIEAHN
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@]1(CO)C[C@@H](C)CC(C)(C)C1	ZINC000106922135	560894420	/nfs/dbraw/zinc/89/44/20/560894420.db2.gz	CYAUFBFVVKTCCG-GSHUGGBRSA-N	0	3	403.592	4.044	50	30		HIEAHN
COc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCCCC3)c3ccccc23)cc1	ZINC000020439344	568607424	/nfs/dbraw/zinc/60/74/24/568607424.db2.gz	OKSYQPKZVZXOAH-YDYPUGOESA-N	0	3	418.537	4.393	50	30		HIEAHN
Cc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2N=C3NC2CCCC2)cc1F	ZINC000096309718	568724044	/nfs/dbraw/zinc/72/40/44/568724044.db2.gz	IMSMNNWMSNLXRZ-UHFFFAOYSA-N	0	3	421.520	4.383	50	30		HIEAHN
C=CCOc1ccccc1CN1CCC[C@@H](CCC(=O)N(C)CCc2ccccn2)C1	ZINC000012306381	568994278	/nfs/dbraw/zinc/99/42/78/568994278.db2.gz	RRRFLODBTHEZJR-QFIPXVFZSA-N	0	3	421.585	4.340	50	30		HIEAHN
Fc1ccc(N[C@H]2CCCN(Cc3ccc(C#Cc4cncnc4)cc3)C2)cc1F	ZINC000014957356	569004225	/nfs/dbraw/zinc/00/42/25/569004225.db2.gz	NFKIJFHTVCDVKQ-QFIPXVFZSA-N	0	3	404.464	4.231	50	30		HIEAHN
CCn1cc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cc1C#N	ZINC000072425968	569384207	/nfs/dbraw/zinc/38/42/07/569384207.db2.gz	AJVYSGAEJXNGGY-UHFFFAOYSA-N	0	3	417.479	4.428	50	30		HIEAHN
CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1	ZINC000009466217	571261012	/nfs/dbraw/zinc/26/10/12/571261012.db2.gz	OKMMNNRKPSPKNQ-AWEZNQCLSA-N	0	3	417.947	4.352	50	30		HIEAHN
N=C(N)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	ZINC000033362280	526818170	/nfs/dbraw/zinc/81/81/70/526818170.db2.gz	SHCUJEPVVBZGSR-QPSGOUHRSA-N	0	3	416.106	4.152	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000019817602	558287929	/nfs/dbraw/zinc/28/79/29/558287929.db2.gz	BSAZBKZMBTVTJP-FQEVSTJZSA-N	0	3	412.917	4.260	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000019817602	558287931	/nfs/dbraw/zinc/28/79/31/558287931.db2.gz	BSAZBKZMBTVTJP-FQEVSTJZSA-N	0	3	412.917	4.260	50	30		HIEAHN
C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)c1ccc(C)cc1	ZINC000004599525	558835278	/nfs/dbraw/zinc/83/52/78/558835278.db2.gz	DHAWWLQYUZVNEP-CVKSISIWSA-N	0	3	424.570	4.467	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000072324084	558861480	/nfs/dbraw/zinc/86/14/80/558861480.db2.gz	OZEZSCLKRONVDV-DHWOPMESSA-N	0	3	408.586	4.118	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5OC)CC4)[C@H]3C[C@@H]12	ZINC000061991172	560564715	/nfs/dbraw/zinc/56/47/15/560564715.db2.gz	XPFOUNMBEZRCMG-WGFBCYIXSA-N	0	3	424.585	4.131	50	30		HIEAHN
CC1=C2[C@H]3OC(=O)[C@@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O	ZINC000004027280	568878377	/nfs/dbraw/zinc/87/83/77/568878377.db2.gz	OEOMMWMJRTXXIW-CUBKFYFCSA-N	0	3	419.565	4.354	50	30	biogenic	HIEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCc1ccoc1CNCCO	ZINC000229818507	568959640	/nfs/dbraw/zinc/95/96/40/568959640.db2.gz	JREAFELZSSHHGP-BKXMBWNOSA-N	0	3	403.563	4.246	50	30		HIEAHN
C=CCN(CC=C)[C@H]1CCc2c(sc3ncn(Cc4ccccc4OC)c(=O)c23)C1	ZINC000014956297	569003905	/nfs/dbraw/zinc/00/39/05/569003905.db2.gz	FBJJHCCSVKAVCB-SFHVURJKSA-N	0	3	421.566	4.046	50	30		HIEAHN
Cc1csc(C(C#N)C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)n1	ZINC000007183034	569227779	/nfs/dbraw/zinc/22/77/79/569227779.db2.gz	LEIUPDGUSBGWJU-ZDUSSCGKSA-N	0	3	401.542	4.324	50	30		HIEAHN
CCCCN(CCCC)c1ccc(C(NC(C)C)=c2ccc(=C(C#N)C#N)cc2)cc1	ZINC000002305373	569372418	/nfs/dbraw/zinc/37/24/18/569372418.db2.gz	DRIORVICFYDBQL-UHFFFAOYSA-N	0	3	414.597	4.446	50	30		HIEAHN
CCc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)N(C)C)cc1	ZINC000032734082	524048703	/nfs/dbraw/zinc/04/87/03/524048703.db2.gz	SOSOASUYXXUETR-NRFANRHFSA-N	0	3	408.571	4.148	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000019926883	558308060	/nfs/dbraw/zinc/30/80/60/558308060.db2.gz	XHQIUWIFGGRLJP-KRWDZBQOSA-N	0	3	423.296	4.116	50	30		HIEAHN
C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)c1cccs1	ZINC000013801199	558594748	/nfs/dbraw/zinc/59/47/48/558594748.db2.gz	GRJKAZRDVDXOJQ-FSJBWODESA-N	0	3	416.572	4.220	50	30		HIEAHN
C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000005094152	559244414	/nfs/dbraw/zinc/24/44/14/559244414.db2.gz	OVHBEHWVZLGXJN-PKOBYXMFSA-N	0	3	400.482	4.217	50	30		HIEAHN
CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000102514557	560815326	/nfs/dbraw/zinc/81/53/26/560815326.db2.gz	PCYFGQCVSWGZFI-OEAKJJBVSA-N	0	3	413.522	4.167	50	30		HIEAHN
C[C@@H]1C[C@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000102734275	560822727	/nfs/dbraw/zinc/82/27/27/560822727.db2.gz	HLIJUTRTSWJLDG-NSHGMRRFSA-N	0	3	414.509	4.463	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1	ZINC000020171650	568592500	/nfs/dbraw/zinc/59/25/00/568592500.db2.gz	XSIAGSINYIVIFR-GOSISDBHSA-N	0	3	418.946	4.322	50	30		HIEAHN
O=C(CCc1ccccc1)N1CCC[C@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096309803	568724080	/nfs/dbraw/zinc/72/40/80/568724080.db2.gz	HYUJEMNPLNQUOJ-RUZDIDTESA-N	0	3	417.557	4.254	50	30		HIEAHN
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CN(C)Cc2ccccc2)c1=O	ZINC000014985549	569004217	/nfs/dbraw/zinc/00/42/17/569004217.db2.gz	RWOKUZGSESMUGC-UHFFFAOYSA-N	0	3	412.917	4.403	50	30		HIEAHN
Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000006813171	569136851	/nfs/dbraw/zinc/13/68/51/569136851.db2.gz	CYXJJJBQXUTNCC-HOGKFDNTSA-N	0	3	418.493	4.115	50	30		HIEAHN
C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000328596695	569416120	/nfs/dbraw/zinc/41/61/20/569416120.db2.gz	QIVAVXBYPDPGSX-WFASDCNBSA-N	0	3	414.259	4.050	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1	ZINC000008904907	571145852	/nfs/dbraw/zinc/14/58/52/571145852.db2.gz	RACPCKRHTWFKLU-NHFXJNLRSA-N	0	3	424.522	4.258	50	30		HIEAHN
C=CCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1	ZINC000015072651	846005301	/nfs/dbraw/zinc/00/53/01/846005301.db2.gz	FCZRDLSWMXSTQF-UHFFFAOYSA-N	0	3	408.546	4.414	50	30		HIEAHN
C=CCN(CC=C)[C@@H]1CCc2c(sc3ncn(Cc4cccc(OC)c4)c(=O)c23)C1	ZINC000019145692	846353811	/nfs/dbraw/zinc/35/38/11/846353811.db2.gz	GHKXLIOQAQJRAR-GOSISDBHSA-N	0	3	421.566	4.046	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1	ZINC000100191177	520654924	/nfs/dbraw/zinc/65/49/24/520654924.db2.gz	RZMYPCSNEHEULF-POICXBNUSA-N	0	3	404.510	4.006	50	30		HIEAHN
CN(Cc1ccc(C#CC(C)(C)O)s1)[C@H]1CCCN(Cc2ccccc2F)C1	ZINC000020598890	523204080	/nfs/dbraw/zinc/20/40/80/523204080.db2.gz	MGGROYNCQQNYRE-IBGZPJMESA-N	0	3	400.563	4.106	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1	ZINC000019938549	558312946	/nfs/dbraw/zinc/31/29/46/558312946.db2.gz	YVPAZTQTPFFWQI-SFHVURJKSA-N	0	3	418.946	4.322	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1F	ZINC000020131575	558337285	/nfs/dbraw/zinc/33/72/85/558337285.db2.gz	QSYNOSDIYRWIGQ-NRFANRHFSA-N	0	3	422.456	4.102	50	30		HIEAHN
CCCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020228965	558349866	/nfs/dbraw/zinc/34/98/66/558349866.db2.gz	OTFWWNSJWRIXCC-QFIPXVFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)O[C@@H](C)COC	ZINC000004889418	559197851	/nfs/dbraw/zinc/19/78/51/559197851.db2.gz	GWABGCGQESQLSW-ROUUACIJSA-N	0	3	412.534	4.222	50	30		HIEAHN
CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)O[C@@H](C)COC	ZINC000004889417	559197857	/nfs/dbraw/zinc/19/78/57/559197857.db2.gz	GWABGCGQESQLSW-ZWKOTPCHSA-N	0	3	412.534	4.222	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccs1	ZINC000005488665	560597652	/nfs/dbraw/zinc/59/76/52/560597652.db2.gz	QUIXAACPIIRBTO-GHNGSUTGSA-N	0	3	418.946	4.165	50	30		HIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000005563571	560619051	/nfs/dbraw/zinc/61/90/51/560619051.db2.gz	UKKCZPCUENBOOS-MOBKVPTQSA-N	0	3	424.516	4.323	50	30		HIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102530852	560813413	/nfs/dbraw/zinc/81/34/13/560813413.db2.gz	UKKCZPCUENBOOS-HOGKFDNTSA-N	0	3	424.516	4.323	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(F)cc1	ZINC000020150023	568590689	/nfs/dbraw/zinc/59/06/89/568590689.db2.gz	NAYCVZNDWSHASI-NRFANRHFSA-N	0	3	422.456	4.102	50	30		HIEAHN
CCOc1ccc(C(=O)N2CCC3(CC2)Nc2cccnc2N=C3NC(C)(C)C)cc1	ZINC000096309745	568724258	/nfs/dbraw/zinc/72/42/58/568724258.db2.gz	LQKGFTYAQIVBPW-UHFFFAOYSA-N	0	3	421.545	4.190	50	30		HIEAHN
C#CCN1CCC(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)CC1	ZINC000083812570	568917593	/nfs/dbraw/zinc/91/75/93/568917593.db2.gz	IUXCLERCKIRMFV-UHFFFAOYSA-N	0	3	402.420	4.128	50	30		HIEAHN
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCCO	ZINC000004028839	568934196	/nfs/dbraw/zinc/93/41/96/568934196.db2.gz	JREAFELZSSHHGP-SJROBZAFSA-N	0	3	403.563	4.246	50	30	biogenic	HIEAHN
C=CCOc1ccccc1CN1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1	ZINC000012432194	568994874	/nfs/dbraw/zinc/99/48/74/568994874.db2.gz	HFVFBGUTKJXECC-OAQYLSRUSA-N	0	3	416.525	4.492	50	30		HIEAHN
C#Cc1cccc(C(=O)N(CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)c1	ZINC000012713629	568996562	/nfs/dbraw/zinc/99/65/62/568996562.db2.gz	ZHKYQELUXPSWBT-HSZRJFAPSA-N	0	3	404.554	4.093	50	30		HIEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000040089612	571159758	/nfs/dbraw/zinc/15/97/58/571159758.db2.gz	ISZDQCXYHIKIJT-IRLDBZIGSA-N	0	3	422.488	4.311	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	ZINC000019771517	558280028	/nfs/dbraw/zinc/28/00/28/558280028.db2.gz	VEMJXTVEBYZPSM-OAQYLSRUSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1	ZINC000019771517	558280031	/nfs/dbraw/zinc/28/00/31/558280031.db2.gz	VEMJXTVEBYZPSM-OAQYLSRUSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1	ZINC000020131827	558337299	/nfs/dbraw/zinc/33/72/99/558337299.db2.gz	WDBNPISYVXPLFE-NRFANRHFSA-N	0	3	422.481	4.254	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Cl)c1	ZINC000020135325	558337444	/nfs/dbraw/zinc/33/74/44/558337444.db2.gz	FGXAQWJTDJFRLJ-GOSISDBHSA-N	0	3	418.946	4.322	50	30		HIEAHN
N#Cc1ccc(NC(=O)CCN(CCc2ccccn2)Cc2ccc(F)cc2)cc1	ZINC000058357219	568913820	/nfs/dbraw/zinc/91/38/20/568913820.db2.gz	NJQYBENRKINOIM-UHFFFAOYSA-N	0	3	402.473	4.166	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC(CO)(Cc3ccc(Cl)cc3)CC2)cc1	ZINC000011702885	568992302	/nfs/dbraw/zinc/99/23/02/568992302.db2.gz	COHMHNVOHYJYLA-UHFFFAOYSA-N	0	3	411.973	4.280	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000006160152	569015504	/nfs/dbraw/zinc/01/55/04/569015504.db2.gz	GMWVZMSSJHEUJF-HOGKFDNTSA-N	0	3	406.526	4.067	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1	ZINC000006160152	569015505	/nfs/dbraw/zinc/01/55/05/569015505.db2.gz	GMWVZMSSJHEUJF-HOGKFDNTSA-N	0	3	406.526	4.067	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Cl)c1	ZINC000006785183	569121515	/nfs/dbraw/zinc/12/15/15/569121515.db2.gz	VISKNDAJASLFMV-SELCWUDQSA-N	0	3	418.946	4.165	50	30		HIEAHN
Cc1ccc(CN2CC[C@H](CN(C)C(=O)CSCc3ccc(C#N)cc3)C2)s1	ZINC000328591717	569415094	/nfs/dbraw/zinc/41/50/94/569415094.db2.gz	YUSPXIPLOWRWGG-HXUWFJFHSA-N	0	3	413.612	4.142	50	30		HIEAHN
C[C@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000328596693	569416138	/nfs/dbraw/zinc/41/61/38/569416138.db2.gz	QIVAVXBYPDPGSX-IUODEOHRSA-N	0	3	414.259	4.050	50	30		HIEAHN
CC(C)N(CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccs1)C(C)C	ZINC000022145548	519646333	/nfs/dbraw/zinc/64/63/33/519646333.db2.gz	PGUBYPLPKNYBQH-HXUWFJFHSA-N	0	3	412.555	4.445	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1	ZINC000020663815	524054755	/nfs/dbraw/zinc/05/47/55/524054755.db2.gz	ACCVNZQZECEMDO-IBGZPJMESA-N	0	3	410.495	4.024	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1	ZINC000102521564	560815900	/nfs/dbraw/zinc/81/59/00/560815900.db2.gz	VMDQPSJCZRBIFJ-GHNGSUTGSA-N	0	3	418.946	4.165	50	30		HIEAHN
COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c[nH]c(C#N)c3)C2)cc1Cl	ZINC000095516929	568635245	/nfs/dbraw/zinc/63/52/45/568635245.db2.gz	NORQPWLOOLWXAS-HNNXBMFYSA-N	0	3	400.910	4.179	50	30		HIEAHN
O=C(CCc1ccccc1)N1CCC[C@@]2(C1)Nc1cccnc1N=C2NC1CCCC1	ZINC000096309804	568724102	/nfs/dbraw/zinc/72/41/02/568724102.db2.gz	HYUJEMNPLNQUOJ-VWLOTQADSA-N	0	3	417.557	4.254	50	30		HIEAHN
O=[N+]([O-])c1cc([N+](=O)[O-])c(C=NNc2ccccc2)cc1C=NNc1ccccc1	ZINC000245239973	568736128	/nfs/dbraw/zinc/73/61/28/568736128.db2.gz	NOVQSYNGBUBTNR-UHFFFAOYSA-N	0	3	404.386	4.395	50	30		HIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008856734	571128032	/nfs/dbraw/zinc/12/80/32/571128032.db2.gz	LVZQMOPRLDFXGG-FQEVSTJZSA-N	0	3	412.917	4.178	50	30		HIEAHN
C#Cc1ccc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)cc1	ZINC000015071745	846005315	/nfs/dbraw/zinc/00/53/15/846005315.db2.gz	QHLQJAODCCKLKI-UHFFFAOYSA-N	0	3	402.538	4.337	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(OC)cc5)CC4)[C@H]3C[C@H]12	ZINC000082051525	852544065	/nfs/dbraw/zinc/54/40/65/852544065.db2.gz	QFCBTOZSDBUXDI-DHWOPMESSA-N	0	3	424.585	4.131	50	30		HIEAHN
CC(C)N(CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccs1)C(C)C	ZINC000022145545	519646138	/nfs/dbraw/zinc/64/61/38/519646138.db2.gz	PGUBYPLPKNYBQH-FQEVSTJZSA-N	0	3	412.555	4.445	50	30		HIEAHN
N#Cc1cccc(OCCN2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)c1	ZINC000071889701	557298093	/nfs/dbraw/zinc/29/80/93/557298093.db2.gz	JCLWJSLURRDNOV-NRFANRHFSA-N	0	3	400.482	4.257	50	30		HIEAHN
CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)Nc1ccc(OCC#N)cc1	ZINC000072289413	558723068	/nfs/dbraw/zinc/72/30/68/558723068.db2.gz	LNBAKXVNRWBQSE-QFIPXVFZSA-N	0	3	406.530	4.183	50	30		HIEAHN
C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000005094149	559244389	/nfs/dbraw/zinc/24/43/89/559244389.db2.gz	OVHBEHWVZLGXJN-IEBWSBKVSA-N	0	3	400.482	4.217	50	30		HIEAHN
C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000102724740	560821668	/nfs/dbraw/zinc/82/16/68/560821668.db2.gz	OVHBEHWVZLGXJN-HKUYNNGSSA-N	0	3	400.482	4.217	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1	ZINC000020135265	568589851	/nfs/dbraw/zinc/58/98/51/568589851.db2.gz	IYKJEXGLVDUFEC-FQEVSTJZSA-N	0	3	424.884	4.226	50	30		HIEAHN
CN1CCc2nc(SCC(=O)OC(C)(C)C)c(C#N)c(-c3cccs3)c2C1	ZINC000020813565	568644328	/nfs/dbraw/zinc/64/43/28/568644328.db2.gz	KKYFNBICCKJZHK-UHFFFAOYSA-N	0	3	401.557	4.103	50	30		HIEAHN
COc1ccc([C@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1OC	ZINC000027991312	568775728	/nfs/dbraw/zinc/77/57/28/568775728.db2.gz	WSISFKXSOUPXAV-IBGZPJMESA-N	0	3	406.486	4.254	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@H]12	ZINC000059415309	568953311	/nfs/dbraw/zinc/95/33/11/568953311.db2.gz	XQXNTSRSLXYYTI-DHWOPMESSA-N	0	3	408.586	4.431	50	30		HIEAHN
C#Cc1cccc(C(=O)N(CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)c1	ZINC000012713631	568996235	/nfs/dbraw/zinc/99/62/35/568996235.db2.gz	ZHKYQELUXPSWBT-QHCPKHFHSA-N	0	3	404.554	4.093	50	30		HIEAHN
Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000006813209	569136845	/nfs/dbraw/zinc/13/68/45/569136845.db2.gz	CYXJJJBQXUTNCC-MOBKVPTQSA-N	0	3	418.493	4.115	50	30		HIEAHN
CN(C)[C@@H](CNc1oc(-c2ccc(Br)o2)nc1C#N)c1cccs1	ZINC000027794175	569395328	/nfs/dbraw/zinc/39/53/28/569395328.db2.gz	UHTMVMQDATWUPN-NSHDSACASA-N	0	3	407.293	4.345	50	30		HIEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000040089614	571159625	/nfs/dbraw/zinc/15/96/25/571159625.db2.gz	ISZDQCXYHIKIJT-IFMALSPDSA-N	0	3	422.488	4.311	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1	ZINC000019884960	558301905	/nfs/dbraw/zinc/30/19/05/558301905.db2.gz	VYYMIPZGFDJCFS-LJQANCHMSA-N	0	3	416.880	4.009	50	30		HIEAHN
O=C(CCc1ccccc1)N1CCC2(CC1)Nc1cccnc1N=C2NC1CCCC1	ZINC000097112959	558995004	/nfs/dbraw/zinc/99/50/04/558995004.db2.gz	JCOCBNRTDUPRSD-UHFFFAOYSA-N	0	3	417.557	4.254	50	30		HIEAHN
COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1	ZINC000027991469	568775763	/nfs/dbraw/zinc/77/57/63/568775763.db2.gz	KDAZERRNOJBMBA-OAQYLSRUSA-N	0	3	405.502	4.003	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@@H]12	ZINC000059415311	568953365	/nfs/dbraw/zinc/95/33/65/568953365.db2.gz	XQXNTSRSLXYYTI-IUSCBXDMSA-N	0	3	408.586	4.431	50	30		HIEAHN
CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)c1	ZINC000012708633	568995809	/nfs/dbraw/zinc/99/58/09/568995809.db2.gz	UUTFZGARZAYLSG-XMMPIXPASA-N	0	3	405.538	4.303	50	30		HIEAHN
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@]1(CO)C[C@H](C)CC(C)(C)C1	ZINC000239869300	569054508	/nfs/dbraw/zinc/05/45/08/569054508.db2.gz	CYAUFBFVVKTCCG-DRSNIGMVSA-N	0	3	403.592	4.044	50	30		HIEAHN
CCN1CCN(c2ccc(/N=C/c3ccc(OC)c(Br)c3)cc2)CC1	ZINC000000903895	521697150	/nfs/dbraw/zinc/69/71/50/521697150.db2.gz	DFXUPHAKVBVWCV-PXLXIMEGSA-N	0	3	402.336	4.350	50	30		HIEAHN
COc1ccc(NC(=NC(=O)c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1	ZINC000015729139	524376735	/nfs/dbraw/zinc/37/67/35/524376735.db2.gz	AWSQKKYLTWTMCN-UHFFFAOYSA-N	0	3	420.557	4.254	50	30		HIEAHN
N#Cc1cccc(OCCN2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1	ZINC000071890588	557317849	/nfs/dbraw/zinc/31/78/49/557317849.db2.gz	MUKHZVFREFKFGM-OAQYLSRUSA-N	0	3	418.472	4.396	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(F)c1	ZINC000019787697	558281620	/nfs/dbraw/zinc/28/16/20/558281620.db2.gz	JRRWJPZUJHXWQB-SJNBJEQYSA-N	0	3	422.500	4.145	50	30		HIEAHN
O=C1c2ccc([O-])c(CNC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2O/C1=C/c1cccs1	ZINC000097963069	558993451	/nfs/dbraw/zinc/99/34/51/558993451.db2.gz	RNLNHZCNSMLHLC-KSWTUVBBSA-N	0	3	424.566	4.424	50	30		HIEAHN
O=C1c2ccc([O-])c(CNC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2O/C1=C/c1cccs1	ZINC000097963069	558993453	/nfs/dbraw/zinc/99/34/53/558993453.db2.gz	RNLNHZCNSMLHLC-KSWTUVBBSA-N	0	3	424.566	4.424	50	30		HIEAHN
C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000095430497	568608894	/nfs/dbraw/zinc/60/88/94/568608894.db2.gz	HJBQYBWIDHAPJZ-IBGZPJMESA-N	0	3	411.513	4.237	50	30		HIEAHN
COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2cc(F)ccc2F)cs1	ZINC000095455157	568616659	/nfs/dbraw/zinc/61/66/59/568616659.db2.gz	CMEGGMGYPCHBPU-AWEZNQCLSA-N	0	3	413.405	4.121	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000019703255	568837725	/nfs/dbraw/zinc/83/77/25/568837725.db2.gz	OZEZSCLKRONVDV-HROMDODWSA-N	0	3	408.586	4.118	50	30		HIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC(n3nccc3NC(=O)c3cccnc3)CC2)CC1	ZINC000011816800	568992420	/nfs/dbraw/zinc/99/24/20/568992420.db2.gz	SIBADONQNVBCIW-HXUWFJFHSA-N	0	3	405.546	4.470	50	30		HIEAHN
C[C@H](CC(=O)c1cccc(Br)c1)C(=O)C(C#N)C(=O)Nc1ccccn1	ZINC000328596692	569416105	/nfs/dbraw/zinc/41/61/05/569416105.db2.gz	QIVAVXBYPDPGSX-DOMZBBRYSA-N	0	3	414.259	4.050	50	30		HIEAHN
N#Cc1ccc(NC(=O)CCN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1Cl	ZINC000079053398	569425742	/nfs/dbraw/zinc/42/57/42/569425742.db2.gz	ZKOONLKTHHBLOC-OAQYLSRUSA-N	0	3	423.900	4.369	50	30		HIEAHN
C=CCOc1ccccc1[C@@H]1C[C@H]2CN(Cc3ccccc3C)C(=O)[C@]23CCCN13	ZINC000011816899	845836421	/nfs/dbraw/zinc/83/64/21/845836421.db2.gz	VOPODBDXYODUDU-KJOQGJGQSA-N	0	3	402.538	4.498	50	30		HIEAHN
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(CO)C[C@H](C)CC(C)(C)C1	ZINC000239869301	525922057	/nfs/dbraw/zinc/92/20/57/525922057.db2.gz	CYAUFBFVVKTCCG-YVHKJVDXSA-N	0	3	403.592	4.044	50	30		HIEAHN
NC(=NOCc1coc(-c2cccc(F)c2)n1)c1ccccc1CN1CCCCC1	ZINC000058085033	558898253	/nfs/dbraw/zinc/89/82/53/558898253.db2.gz	HQNAIMASJCPVRI-UHFFFAOYSA-N	0	3	408.477	4.304	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1F	ZINC000100191083	559131686	/nfs/dbraw/zinc/13/16/86/559131686.db2.gz	KTXJZMOTNISJKY-NSFRLNINSA-N	0	3	422.500	4.145	50	30		HIEAHN
C=CCOc1c(Br)cc(CNCCc2nc3ccccc3[nH]2)cc1OC	ZINC000247907336	559275081	/nfs/dbraw/zinc/27/50/81/559275081.db2.gz	SVYPGXGDYPKIEA-UHFFFAOYSA-N	0	3	416.319	4.231	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(F)cc1	ZINC000020150024	568590671	/nfs/dbraw/zinc/59/06/71/568590671.db2.gz	NAYCVZNDWSHASI-OAQYLSRUSA-N	0	3	422.456	4.102	50	30		HIEAHN
C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000095430498	568608857	/nfs/dbraw/zinc/60/88/57/568608857.db2.gz	HJBQYBWIDHAPJZ-LJQANCHMSA-N	0	3	411.513	4.237	50	30		HIEAHN
C[C@H]1CCc2c(sc3ncnc(N4CCCN(Cc5ccc(C#N)cc5)CC4)c23)C1	ZINC000012569392	568861454	/nfs/dbraw/zinc/86/14/54/568861454.db2.gz	KIFFDDFGRFQDTO-KRWDZBQOSA-N	0	3	417.582	4.400	50	30		HIEAHN
CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012430958	568995156	/nfs/dbraw/zinc/99/51/56/568995156.db2.gz	AMFRTTGSVWNKSQ-HHHXNRCGSA-N	0	3	419.565	4.197	50	30		HIEAHN
OC[C@@]1(CCc2ccccc2)CCCN(Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000012576383	568995413	/nfs/dbraw/zinc/99/54/13/568995413.db2.gz	GQTCBKWWKULQAU-HHHXNRCGSA-N	0	3	411.549	4.084	50	30		HIEAHN
C[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000245053453	569055221	/nfs/dbraw/zinc/05/52/21/569055221.db2.gz	OVHBEHWVZLGXJN-MJGOQNOKSA-N	0	3	400.482	4.217	50	30		HIEAHN
CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccc(Cl)cc1	ZINC000009466216	571261045	/nfs/dbraw/zinc/26/10/45/571261045.db2.gz	OKMMNNRKPSPKNQ-CQSZACIVSA-N	0	3	417.947	4.352	50	30		HIEAHN
Oc1nc(NN=Cc2ccc(F)cc2)sc1Cc1ccc(SC(F)F)cc1	ZINC000006472358	845204017	/nfs/dbraw/zinc/20/40/17/845204017.db2.gz	QHWJRJPFMQBEOP-OAHLLOKOSA-N	0	3	409.458	4.305	50	30		HIEAHN
O=C1N=C(NN=Cc2ccc(F)cc2)SC1Cc1ccc(SC(F)F)cc1	ZINC000006472358	845204026	/nfs/dbraw/zinc/20/40/26/845204026.db2.gz	QHWJRJPFMQBEOP-OAHLLOKOSA-N	0	3	409.458	4.305	50	30		HIEAHN
CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)CC1	ZINC000005025191	132298741	/nfs/dbraw/zinc/29/87/41/132298741.db2.gz	VECNAZHXJOSSLT-IBGZPJMESA-N	0	3	400.482	4.217	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)o1	ZINC000019938559	558312935	/nfs/dbraw/zinc/31/29/35/558312935.db2.gz	ZRRACCLSSHBJMB-LJQANCHMSA-N	0	3	416.905	4.162	50	30		HIEAHN
O=C(N=C(Nc1ccccc1)N1CCN(C2CCCCC2)CC1)c1ccc(F)cc1	ZINC000015729131	568979658	/nfs/dbraw/zinc/97/96/58/568979658.db2.gz	WQSQVECQKRZOKB-UHFFFAOYSA-N	0	3	408.521	4.384	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1	ZINC000013594486	569000342	/nfs/dbraw/zinc/00/03/42/569000342.db2.gz	SXMJDSFQLMRDNK-VWLOTQADSA-N	0	3	411.973	4.280	50	30		HIEAHN
O=C(c1ccc(OC(F)F)cc1)C(C(=S)[N-]Cc1ccccc1)[n+]1ccccc1	ZINC000012655460	569043045	/nfs/dbraw/zinc/04/30/45/569043045.db2.gz	UVTXSPCZHKJRJJ-UHFFFAOYSA-O	0	3	413.469	4.304	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Cl)c1	ZINC000009240790	571240789	/nfs/dbraw/zinc/24/07/89/571240789.db2.gz	SSADOHHUKNRCFT-NHFXJNLRSA-N	0	3	424.884	4.070	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000019883932	558301833	/nfs/dbraw/zinc/30/18/33/558301833.db2.gz	BLGBHCJPYXFKRZ-IBGZPJMESA-N	0	3	416.880	4.009	50	30		HIEAHN
Cc1cc(C)n(N=c2sc(-c3ccccc3)cn2C2CC3C=CC2C3)c(=O)c1C#N	ZINC000100384080	558729679	/nfs/dbraw/zinc/72/96/79/558729679.db2.gz	CKSAFCUXSDIHET-ULVGXDIZSA-N	0	3	414.534	4.368	50	30		HIEAHN
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1	ZINC000017044769	558812945	/nfs/dbraw/zinc/81/29/45/558812945.db2.gz	HLLKFWDJJPPZKA-QFIPXVFZSA-N	0	3	422.525	4.004	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@H]12	ZINC000061992801	560568571	/nfs/dbraw/zinc/56/85/71/560568571.db2.gz	WLRDUFWIFGLONX-CFXNPWLASA-N	0	3	424.585	4.131	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1	ZINC000102521558	560815924	/nfs/dbraw/zinc/81/59/24/560815924.db2.gz	VMDQPSJCZRBIFJ-SELCWUDQSA-N	0	3	418.946	4.165	50	30		HIEAHN
CCCCCCCCCCCC(=O)N(CCN(C)C)CC(=O)Nc1cc(C)on1	ZINC000102999684	560836389	/nfs/dbraw/zinc/83/63/89/560836389.db2.gz	ZUMPOHJJXCWQNO-UHFFFAOYSA-N	0	3	408.587	4.233	50	30		HIEAHN
COC(=O)c1ccccc1NC(=O)C(C#N)c1nc(-c2cc(F)ccc2F)cs1	ZINC000095455156	568616678	/nfs/dbraw/zinc/61/66/78/568616678.db2.gz	CMEGGMGYPCHBPU-CQSZACIVSA-N	0	3	413.405	4.121	50	30		HIEAHN
C=CCOc1ccccc1CN1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1	ZINC000012432195	568994900	/nfs/dbraw/zinc/99/49/00/568994900.db2.gz	HFVFBGUTKJXECC-NRFANRHFSA-N	0	3	416.525	4.492	50	30		HIEAHN
OC[C@]1(CCc2ccccc2)CCCN(Cc2ccc(C#Cc3cncnc3)cc2)C1	ZINC000012576390	568995124	/nfs/dbraw/zinc/99/51/24/568995124.db2.gz	GQTCBKWWKULQAU-MHZLTWQESA-N	0	3	411.549	4.084	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1	ZINC000009070995	571218451	/nfs/dbraw/zinc/21/84/51/571218451.db2.gz	DHNAGVVHMJTHPC-NHFXJNLRSA-N	0	3	424.884	4.070	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)s1	ZINC000055042569	519331411	/nfs/dbraw/zinc/33/14/11/519331411.db2.gz	GLHGPYNRPFZUMK-MRXNPFEDSA-N	0	3	411.596	4.239	50	30		HIEAHN
CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020228967	558349892	/nfs/dbraw/zinc/34/98/92/558349892.db2.gz	OTFWWNSJWRIXCC-JOCHJYFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000018354727	558835635	/nfs/dbraw/zinc/83/56/35/558835635.db2.gz	CWGYURFGHFWNOE-QFIPXVFZSA-N	0	3	406.526	4.258	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(Cc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000072324083	558861505	/nfs/dbraw/zinc/86/15/05/558861505.db2.gz	OZEZSCLKRONVDV-CFXNPWLASA-N	0	3	408.586	4.118	50	30		HIEAHN
N#Cc1ccccc1NC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022197555	558864546	/nfs/dbraw/zinc/86/45/46/558864546.db2.gz	MQDXUTQSHMNBSA-UHFFFAOYSA-N	0	3	424.548	4.294	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000100191166	559131708	/nfs/dbraw/zinc/13/17/08/559131708.db2.gz	YKHOZUFFJPGURJ-WIJYMUHASA-N	0	3	422.500	4.145	50	30		HIEAHN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000104198270	560849641	/nfs/dbraw/zinc/84/96/41/560849641.db2.gz	YDCWPCVSJXEITH-YDJIHCHBSA-N	0	3	412.917	4.022	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1	ZINC000020149945	568590628	/nfs/dbraw/zinc/59/06/28/568590628.db2.gz	CGOZCAAYNTVHQV-QFIPXVFZSA-N	0	3	418.493	4.353	50	30		HIEAHN
COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccc(N(C)C)cc3)N(C)C)o2)cc1	ZINC000027991474	568775757	/nfs/dbraw/zinc/77/57/57/568775757.db2.gz	KDAZERRNOJBMBA-NRFANRHFSA-N	0	3	405.502	4.003	50	30		HIEAHN
COc1ccc([C@@H](CNc2oc(COc3ccc(C)cc3C)nc2C#N)N(C)C)cc1	ZINC000027991350	568775803	/nfs/dbraw/zinc/77/58/03/568775803.db2.gz	ALVJBRVEOANGDN-OAQYLSRUSA-N	0	3	420.513	4.466	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000019808920	569430568	/nfs/dbraw/zinc/43/05/68/569430568.db2.gz	VSOBKJAREKPKGB-HXUWFJFHSA-N	0	3	412.917	4.260	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000019808920	569430569	/nfs/dbraw/zinc/43/05/69/569430569.db2.gz	VSOBKJAREKPKGB-HXUWFJFHSA-N	0	3	412.917	4.260	50	30		HIEAHN
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000019883221	558301463	/nfs/dbraw/zinc/30/14/63/558301463.db2.gz	QEKGTDJEAFJOPR-QFIPXVFZSA-N	0	3	406.526	4.340	50	30		HIEAHN
COc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)cc1	ZINC000013942802	558605255	/nfs/dbraw/zinc/60/52/55/558605255.db2.gz	PSRSUMDLVVEZSB-UHFFFAOYSA-N	0	3	415.906	4.195	50	30		HIEAHN
C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@]1(CO)C[C@@H](C)CC(C)(C)C1	ZINC000106922133	560894384	/nfs/dbraw/zinc/89/43/84/560894384.db2.gz	CYAUFBFVVKTCCG-JKSBSHDWSA-N	0	3	403.592	4.044	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1	ZINC000020135270	568589980	/nfs/dbraw/zinc/58/99/80/568589980.db2.gz	IYKJEXGLVDUFEC-HXUWFJFHSA-N	0	3	424.884	4.226	50	30		HIEAHN
Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C#N)cc4)[C@@H]3C2=O)c(C)c1	ZINC000230056892	568805563	/nfs/dbraw/zinc/80/55/63/568805563.db2.gz	HPYXJYJECHFNPV-RBZQAINGSA-N	0	3	423.472	4.226	50	30		HIEAHN
C[C@@H]1C[C@@H](C)CN(c2nc3ccccc3nc2C(C#N)C(=O)OCc2ccccc2)C1	ZINC000245255417	569055442	/nfs/dbraw/zinc/05/54/42/569055442.db2.gz	HLIJUTRTSWJLDG-GGPKGHCWSA-N	0	3	414.509	4.463	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(C)o1	ZINC000006785260	569121674	/nfs/dbraw/zinc/12/16/74/569121674.db2.gz	PJUOMGWJMDBCDF-MRJHHRETSA-N	0	3	422.481	4.098	50	30		HIEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1CNCCO	ZINC000252441192	569285695	/nfs/dbraw/zinc/28/56/95/569285695.db2.gz	JREAFELZSSHHGP-NZRJUOQRSA-N	0	3	403.563	4.246	50	30		HIEAHN
Cn1c2ccccc2nc1C(C#N)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	ZINC000040089611	571159718	/nfs/dbraw/zinc/15/97/18/571159718.db2.gz	ISZDQCXYHIKIJT-UNMCSNQZSA-N	0	3	422.488	4.311	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1	ZINC000019938573	558312969	/nfs/dbraw/zinc/31/29/69/558312969.db2.gz	MSLCLGULPLBSTA-OAQYLSRUSA-N	0	3	410.489	4.054	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(C)cc1	ZINC000019938573	558312971	/nfs/dbraw/zinc/31/29/71/558312971.db2.gz	MSLCLGULPLBSTA-OAQYLSRUSA-N	0	3	410.489	4.054	50	30		HIEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccc1F	ZINC000020131579	558337269	/nfs/dbraw/zinc/33/72/69/558337269.db2.gz	QSYNOSDIYRWIGQ-OAQYLSRUSA-N	0	3	422.456	4.102	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cccc(C)c5)CC4)[C@H]3C[C@@H]12	ZINC000061999365	560565303	/nfs/dbraw/zinc/56/53/03/560565303.db2.gz	XQXNTSRSLXYYTI-HROMDODWSA-N	0	3	408.586	4.431	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cccc(OC)c5)CC4)[C@H]3C[C@@H]12	ZINC000061992802	560568545	/nfs/dbraw/zinc/56/85/45/560568545.db2.gz	WLRDUFWIFGLONX-IUSCBXDMSA-N	0	3	424.585	4.131	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000005488574	560597638	/nfs/dbraw/zinc/59/76/38/560597638.db2.gz	RKPKBCTUDRHDQW-YDJIHCHBSA-N	0	3	412.917	4.104	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000005488574	560597639	/nfs/dbraw/zinc/59/76/39/560597639.db2.gz	RKPKBCTUDRHDQW-YDJIHCHBSA-N	0	3	412.917	4.104	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccc1	ZINC000102863829	560832478	/nfs/dbraw/zinc/83/24/78/560832478.db2.gz	CROJBUGKJPWAQB-MOBKVPTQSA-N	0	3	418.493	4.196	50	30		HIEAHN
C=CCn1cc(CN2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1	ZINC000072412254	568920539	/nfs/dbraw/zinc/92/05/39/568920539.db2.gz	QNBLKCVEICBMMD-UHFFFAOYSA-N	0	3	405.468	4.118	50	30		HIEAHN
O=C(CC[C@@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1)Nc1ccccc1F	ZINC000012752802	568941504	/nfs/dbraw/zinc/94/15/04/568941504.db2.gz	HAWUOPIISSKHON-NRFANRHFSA-N	0	3	408.517	4.191	50	30		HIEAHN
CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CC(C)(C)NC2(C)C	ZINC000004275293	568962292	/nfs/dbraw/zinc/96/22/92/568962292.db2.gz	RUYDKUBHCYFYGZ-UHFFFAOYSA-N	0	3	411.527	4.208	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC(CO)(CCCc3ccccc3)CC2)s1	ZINC000012712174	568995874	/nfs/dbraw/zinc/99/58/74/568995874.db2.gz	JUMLNHMYQOKEQW-UHFFFAOYSA-N	0	3	411.611	4.468	50	30		HIEAHN
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC)CC1	ZINC000014741685	569003645	/nfs/dbraw/zinc/00/36/45/569003645.db2.gz	DUHYZZRMDHYMTH-OAQYLSRUSA-N	0	3	422.573	4.003	50	30		HIEAHN
C=CCN(CC=C)[C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c32)C1	ZINC000015003208	569004138	/nfs/dbraw/zinc/00/41/38/569004138.db2.gz	XGXYTOHDLVHNDM-IBGZPJMESA-N	0	3	417.578	4.329	50	30		HIEAHN
N#CC(c1nc2ccccc2s1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl	ZINC000006662730	569085845	/nfs/dbraw/zinc/08/58/45/569085845.db2.gz	ZNAMNHGEHUMSTG-CQSZACIVSA-N	0	3	410.861	4.349	50	30		HIEAHN
CC1=C2[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O	ZINC000012658168	569402487	/nfs/dbraw/zinc/40/24/87/569402487.db2.gz	OEOMMWMJRTXXIW-JCPVEWQXSA-N	0	3	419.565	4.354	50	30		HIEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(Cl)cc1	ZINC000009070989	571218519	/nfs/dbraw/zinc/21/85/19/571218519.db2.gz	DHNAGVVHMJTHPC-YDJIHCHBSA-N	0	3	424.884	4.070	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccs1	ZINC000020133147	558337258	/nfs/dbraw/zinc/33/72/58/558337258.db2.gz	IWTRTIVWWNAGIJ-FQEVSTJZSA-N	0	3	424.522	4.414	50	30		HIEAHN
O=[N+]([O-])c1cc2c(cc1C=NNc1nc3ccccc3n1Cc1ccccc1)OCO2	ZINC000004551797	558702236	/nfs/dbraw/zinc/70/22/36/558702236.db2.gz	DGWBLPXBEZYOSM-FSJBWODESA-N	0	3	415.409	4.168	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000005488653	560597673	/nfs/dbraw/zinc/59/76/73/560597673.db2.gz	RKPKBCTUDRHDQW-NHFXJNLRSA-N	0	3	412.917	4.104	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000005488653	560597674	/nfs/dbraw/zinc/59/76/74/560597674.db2.gz	RKPKBCTUDRHDQW-NHFXJNLRSA-N	0	3	412.917	4.104	50	30		HIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000102497526	560812415	/nfs/dbraw/zinc/81/24/15/560812415.db2.gz	GSCQXKALHAYPIB-HOGKFDNTSA-N	0	3	406.526	4.183	50	30		HIEAHN
COc1ccc([C@@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1OC	ZINC000027991308	568775866	/nfs/dbraw/zinc/77/58/66/568775866.db2.gz	WSISFKXSOUPXAV-LJQANCHMSA-N	0	3	406.486	4.254	50	30		HIEAHN
CC(C)(O)C#Cc1ccc(CN2CCC[C@@](CO)(CCCc3ccccc3)C2)s1	ZINC000015065529	569004588	/nfs/dbraw/zinc/00/45/88/569004588.db2.gz	YGFJQMYXLGHSQQ-VWLOTQADSA-N	0	3	411.611	4.468	50	30		HIEAHN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1	ZINC000017160015	569275928	/nfs/dbraw/zinc/27/59/28/569275928.db2.gz	LAZAXLWGJYLTNH-JOCHJYFZSA-N	0	3	422.525	4.005	50	30		HIEAHN
CN1CCc2nc(SCC(=O)Nc3ccccc3)c(C#N)c(-c3cccs3)c2C1	ZINC000019889289	569433202	/nfs/dbraw/zinc/43/32/02/569433202.db2.gz	IGMROJGPFGCZMB-UHFFFAOYSA-N	0	3	420.563	4.400	50	30		HIEAHN
CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2ccccc2)c1	ZINC000032931304	521749573	/nfs/dbraw/zinc/74/95/73/521749573.db2.gz	XPEVPLQIMUHYAI-UHFFFAOYSA-N	0	3	413.521	4.341	50	30		HIEAHN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000019882907	558301572	/nfs/dbraw/zinc/30/15/72/558301572.db2.gz	ZJBSCYOVWFUVON-OAQYLSRUSA-N	0	3	410.489	4.089	50	30		HIEAHN
[NH2+]=C(Nc1ccc(F)cc1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1	ZINC000020350991	558356659	/nfs/dbraw/zinc/35/66/59/558356659.db2.gz	CCLORZUHQFXMGQ-UHFFFAOYSA-N	0	3	403.870	4.325	50	30		HIEAHN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000018354724	558835670	/nfs/dbraw/zinc/83/56/70/558835670.db2.gz	CWGYURFGHFWNOE-JOCHJYFZSA-N	0	3	406.526	4.258	50	30		HIEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C)cc1	ZINC000100635488	559137207	/nfs/dbraw/zinc/13/72/07/559137207.db2.gz	MVBMZSPVANJNCA-LXGWOEDASA-N	0	3	418.537	4.315	50	30		HIEAHN
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3C[C@H]12	ZINC000061992806	560568526	/nfs/dbraw/zinc/56/85/26/560568526.db2.gz	DYNOLVYTIQFOGO-BBPVLXATSA-N	0	3	412.549	4.262	50	30		HIEAHN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@@]2(C)[C@H]1CCc1ccoc1CNCCO	ZINC000016041553	569028177	/nfs/dbraw/zinc/02/81/77/569028177.db2.gz	JREAFELZSSHHGP-RXOYHEDQSA-N	0	3	403.563	4.246	50	30		HIEAHN
N#Cc1ccc(NC(=O)CCN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1Cl	ZINC000079053391	569425694	/nfs/dbraw/zinc/42/56/94/569425694.db2.gz	ZKOONLKTHHBLOC-NRFANRHFSA-N	0	3	423.900	4.369	50	30		HIEAHN