smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1	ZINC000004238427	132270994	/nfs/dbraw/zinc/27/09/94/132270994.db2.gz	RUJBKZIRPDMNBA-UHFFFAOYSA-N	0	3	440.479	2.651	1	0		IFAFHN
COc1cc(CN2CCC3(CC[C@H](CNC(=O)c4cc(C)nn4C)O3)CC2)ccc1F	ZINC000011995363	562980234	/nfs/dbraw/zinc/98/02/34/562980234.db2.gz	GHUQMODOUNASHU-GOSISDBHSA-N	0	3	430.524	2.820	1	0		IFAFHN
Oc1ccc(CCNc2nc(NC/C=C/c3ccccc3)nc(N3CCNCC3)n2)cc1	ZINC000012353889	562981199	/nfs/dbraw/zinc/98/11/99/562981199.db2.gz	MYWMXSJPLVTXFS-QPJJXVBHSA-N	0	3	431.544	2.767	1	0		IFAFHN
COC[C@H]1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)C1	ZINC000015066233	563017589	/nfs/dbraw/zinc/01/75/89/563017589.db2.gz	BKDPLGGLXKNPRI-FQEVSTJZSA-N	0	3	439.604	2.893	3	0		IFAFHN
COc1ccc(OC)c2c1C[C@@H](CO)N(C)[C@H]2[C@@H]1Cc2c(OC)ccc(OC)c2[C@H](C)N1	ZINC000028641618	563060384	/nfs/dbraw/zinc/06/03/84/563060384.db2.gz	SYSNFCYLTBWMFO-KRKZIPSHSA-N	0	3	442.556	2.886	1	0		IFAFHN
O=C1OC2(CN1CCc1ccccc1)CCN(C[C@@H](O)[C@@H]1COc3ccccc3O1)CC2	ZINC000028760210	563063724	/nfs/dbraw/zinc/06/37/24/563063724.db2.gz	LOYRSOQYTOZOEV-OFNKIYASSA-N	0	3	438.524	2.717	1	0		IFAFHN
COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCS(=O)(=O)CC4)ccc32)cc1	ZINC000028818062	563064869	/nfs/dbraw/zinc/06/48/69/563064869.db2.gz	JXLGDCHDFPYUFA-DEOSSOPVSA-N	0	3	444.597	2.772	1	0		IFAFHN
CC(C)(C)CNC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1	ZINC000029467174	563080366	/nfs/dbraw/zinc/08/03/66/563080366.db2.gz	ORAUEOLWORHFDT-LJQANCHMSA-N	0	3	430.545	2.636	1	0		IFAFHN
COc1cccc2c1[C@H]1CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)C[C@@H]1C2	ZINC000036187738	563091852	/nfs/dbraw/zinc/09/18/52/563091852.db2.gz	KAOMAOPHBDZGKV-ROUUACIJSA-N	0	3	426.538	2.892	1	0		IFAFHN
O=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)N1CCCN(Cc2ccccc2)CC1	ZINC000043080081	563118540	/nfs/dbraw/zinc/11/85/40/563118540.db2.gz	RVBSZVJPQWPDBW-UHFFFAOYSA-N	0	3	445.567	2.914	1	0		IFAFHN
COC(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	ZINC000045300522	563129109	/nfs/dbraw/zinc/12/91/09/563129109.db2.gz	CNFDLVIRGIJEBV-FPOVZHCZSA-N	0	3	437.544	2.709	1	0		IFAFHN
COC(=O)[C@H](Cc1cnc(C2CCCCC2)[nH]1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	ZINC000045300522	563129110	/nfs/dbraw/zinc/12/91/10/563129110.db2.gz	CNFDLVIRGIJEBV-FPOVZHCZSA-N	0	3	437.544	2.709	1	0		IFAFHN
CN(CCCCOc1ccccc1N)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049033448	563135926	/nfs/dbraw/zinc/13/59/26/563135926.db2.gz	LGWZJQVRMGKYED-JOCHJYFZSA-N	0	3	431.487	2.817	1	0		IFAFHN
O=C(C1CC1)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1	ZINC000049783698	563139597	/nfs/dbraw/zinc/13/95/97/563139597.db2.gz	FNAOEBMIWVMNPQ-FCHUYYIVSA-N	0	3	429.536	2.671	1	0		IFAFHN
CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@@H](CO)c4ccccc4)c32)C1	ZINC000064513219	563154123	/nfs/dbraw/zinc/15/41/23/563154123.db2.gz	WTHITBDGABQSRK-YOCVDRLZSA-N	0	3	437.569	2.839	1	0		IFAFHN
CC(C)CC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000072181108	563167055	/nfs/dbraw/zinc/16/70/55/563167055.db2.gz	GATZHXQVPJMCNE-LJYZBVLISA-N	0	3	425.525	2.771	1	0		IFAFHN
Cn1cnc(S(=O)(=O)[N-]Cc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@@H]([NH3+])CC3)c1	ZINC000088260847	563180246	/nfs/dbraw/zinc/18/02/46/563180246.db2.gz	IOCKKSQPNZXNKA-RTWAWAEBSA-N	0	3	428.533	2.638	1	0		IFAFHN
Cc1cc2c(cc1Cl)NC(=O)[C@]2(NC(=O)CN1CCNCC1)c1ccc(Cl)cc1	ZINC000095552023	563180725	/nfs/dbraw/zinc/18/07/25/563180725.db2.gz	HXHXBHMRQOWTPG-NRFANRHFSA-N	0	3	433.339	2.519	1	0		IFAFHN
COc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(NC3CCN(C)CC3)c2)c1	ZINC000095576411	563185947	/nfs/dbraw/zinc/18/59/47/563185947.db2.gz	LEGGDYSRBAKCDT-UHFFFAOYSA-N	0	3	430.530	2.797	1	0		IFAFHN
CC(=O)Nc1ccc(O)cc1OC[C@@H](N)CN1CCC2(Cc3cc(F)ccc3O2)CC1	ZINC000095587095	563189408	/nfs/dbraw/zinc/18/94/08/563189408.db2.gz	UWEYNQXFNSDIPC-SFHVURJKSA-N	0	3	429.492	2.666	1	0		IFAFHN
COc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1	ZINC000095598515	563192141	/nfs/dbraw/zinc/19/21/41/563192141.db2.gz	LJFFJGLAKTWTDO-CALCHBBNSA-N	0	3	441.557	2.868	1	0		IFAFHN
CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1	ZINC000095874402	563194773	/nfs/dbraw/zinc/19/47/73/563194773.db2.gz	PNBMAGKXUBWRIL-CCDWMCETSA-N	0	3	435.568	2.826	1	0		IFAFHN
CN(C)C/C=C/C(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)cc1	ZINC000096933690	563199137	/nfs/dbraw/zinc/19/91/37/563199137.db2.gz	KGPLGVFZWCSDMU-RMKNXTFCSA-N	0	3	441.495	2.976	1	0		IFAFHN
COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cccnc2OC)CCO3)C1	ZINC000011975579	562980107	/nfs/dbraw/zinc/98/01/07/562980107.db2.gz	INYSPCOWGJQKBF-LJQANCHMSA-N	0	3	425.529	2.983	1	0		IFAFHN
COc1sc2c([nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c2=O)c1C	ZINC000013863019	563013169	/nfs/dbraw/zinc/01/31/69/563013169.db2.gz	LKCYRIGBAXUBGO-WMLDXEAASA-N	0	3	441.553	2.739	1	0		IFAFHN
COCc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)ccc1OC	ZINC000014959683	563016093	/nfs/dbraw/zinc/01/60/93/563016093.db2.gz	DAFGEPIQZPGHJB-GOSISDBHSA-N	0	3	436.516	2.668	3	0		IFAFHN
O[C@@H](Cn1cnc2cncnc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022937560	563026442	/nfs/dbraw/zinc/02/64/42/563026442.db2.gz	DLOQRGPAMTVVPY-JOCHJYFZSA-N	0	3	428.540	2.594	1	0		IFAFHN
CCC(=O)Nc1ccc(OC[C@@H](O)CNCCNC(=O)Nc2ccccc2)c(CC)c1	ZINC000027179283	563040120	/nfs/dbraw/zinc/04/01/20/563040120.db2.gz	YINYKPDTNSGVQC-FQEVSTJZSA-N	0	3	428.533	2.749	1	0		IFAFHN
Clc1ccc(N2CCN(c3nc(Cc4ccccc4)nc(N4CCNCC4)n3)CC2)cc1	ZINC000028008211	563049564	/nfs/dbraw/zinc/04/95/64/563049564.db2.gz	YOETWEQQTQCZDA-UHFFFAOYSA-N	0	3	449.990	2.852	1	0		IFAFHN
COc1ccc(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(CN)c3)c2=O)cc1	ZINC000028391678	563054435	/nfs/dbraw/zinc/05/44/35/563054435.db2.gz	ANECGPPPUHXIPH-UHFFFAOYSA-N	0	3	441.919	2.923	1	0		IFAFHN
CN(C(=O)Cc1ccc(CNS(C)(=O)=O)cc1)[C@H](CN1CCCC1)c1ccccc1	ZINC000028470298	563055465	/nfs/dbraw/zinc/05/54/65/563055465.db2.gz	NLJSDKXZHNIGBT-JOCHJYFZSA-N	0	3	429.586	2.574	1	0		IFAFHN
CC1(C)CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)Cc2nnc(C(F)(F)F)n21	ZINC000028967377	563071096	/nfs/dbraw/zinc/07/10/96/563071096.db2.gz	TTYGLBGNRGWWAM-SNVBAGLBSA-N	0	3	435.372	2.752	1	0		IFAFHN
NS(=O)(=O)c1cscc1C(=O)NCCCOc1cccc(CN2CCCCC2)c1	ZINC000029254554	563077417	/nfs/dbraw/zinc/07/74/17/563077417.db2.gz	YKGBAFCVIYJBJE-UHFFFAOYSA-N	0	3	437.587	2.580	1	0		IFAFHN
O=C(COc1ccc(OCCNC[C@H](O)COc2ccccc2F)cc1)N1CCCCC1	ZINC000029469045	563080493	/nfs/dbraw/zinc/08/04/93/563080493.db2.gz	BGHXUZDKGBCOKT-IBGZPJMESA-N	0	3	446.519	2.625	1	0		IFAFHN
O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1	ZINC000033363004	563084386	/nfs/dbraw/zinc/08/43/86/563084386.db2.gz	WHTIKEJXRIIBPS-KRWDZBQOSA-N	0	3	425.620	2.626	3	0		IFAFHN
COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@H](C)N)C2(C)C)c1	ZINC000040423521	563102681	/nfs/dbraw/zinc/10/26/81/563102681.db2.gz	XHBFICJERBKPGW-CVEARBPZSA-N	0	3	427.549	2.578	1	0		IFAFHN
C[C@@H](Nc1nc(N)nc(N2CCC(C[C@H]([NH3+])C(=O)[O-])CC2)n1)c1ccc2ccccc2c1	ZINC000040862487	563108312	/nfs/dbraw/zinc/10/83/12/563108312.db2.gz	KMPMSVUDMRYDRC-KUHUBIRLSA-N	0	3	435.532	2.799	1	0		IFAFHN
CCOC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1	ZINC000049087498	563137975	/nfs/dbraw/zinc/13/79/75/563137975.db2.gz	RFQOFHMSLNYKEJ-LEWJYISDSA-N	0	3	433.524	2.891	1	0		IFAFHN
CN[C@H](C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)Nc1cccc2ccccc21)C(C)C)C(C)C	ZINC000061925529	563149724	/nfs/dbraw/zinc/14/97/24/563149724.db2.gz	ZLKBWOYLJUESSU-TYCQWZJGSA-N	0	3	426.561	2.668	3	0		IFAFHN
C[C@H]1CCc2nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c2C1	ZINC000064448976	563153498	/nfs/dbraw/zinc/15/34/98/563153498.db2.gz	GERBCOZLRREKHD-IBGZPJMESA-N	0	3	446.599	2.775	1	0		IFAFHN
COc1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C	ZINC000066077079	563157690	/nfs/dbraw/zinc/15/76/90/563157690.db2.gz	HGHFBVBNHYJNHK-UHFFFAOYSA-N	0	3	445.527	2.996	1	0		IFAFHN
Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[C@@H]2CCCCN2)sc1CO	ZINC000084711508	563177586	/nfs/dbraw/zinc/17/75/86/563177586.db2.gz	DABZTAYFUWRJOD-GOEBONIOSA-N	0	3	440.928	2.674	1	0		IFAFHN
C[C@H](c1ccccc1)N1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1	ZINC000084723758	563178024	/nfs/dbraw/zinc/17/80/24/563178024.db2.gz	YFJRHVMEDJHMGJ-YKSBVNFPSA-N	0	3	434.584	2.801	1	0		IFAFHN
Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCCCN2)sc1CO	ZINC000084757979	563179559	/nfs/dbraw/zinc/17/95/59/563179559.db2.gz	PLCPYCCXJPMGGA-HOCLYGCPSA-N	0	3	440.928	2.674	1	0		IFAFHN
CCOC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2NC1=N	ZINC000003779142	562937683	/nfs/dbraw/zinc/93/76/83/562937683.db2.gz	MSGATJYNCMZCIQ-UHFFFAOYSA-N	0	3	430.549	2.962	1	0		IFAFHN
CC(C)C(=O)Nc1cccc(N2CCN(CCCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)c1	ZINC000013861489	563012680	/nfs/dbraw/zinc/01/26/80/563012680.db2.gz	ISTWNACBFZHHBA-NRFANRHFSA-N	0	3	441.576	2.610	1	0		IFAFHN
CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N1CC[C@@H](NCCCC2CCCCC2)C1=O	ZINC000026182551	563029613	/nfs/dbraw/zinc/02/96/13/563029613.db2.gz	CPWOKALQLDEEOB-HKBOAZHASA-N	0	3	436.641	2.722	1	0		IFAFHN
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H](C)N)CC2	ZINC000027562472	563044347	/nfs/dbraw/zinc/04/43/47/563044347.db2.gz	XUBZHIGHIZTZPU-LRDDRELGSA-N	0	3	444.553	2.912	1	0		IFAFHN
CC(C)C1CCC(N2CCC(N3c4ccccc4CN(CC(N)=O)S3(=O)=O)CC2)CC1	ZINC000028391234	563054372	/nfs/dbraw/zinc/05/43/72/563054372.db2.gz	VCCPPOHHPHYIQZ-UHFFFAOYSA-N	0	3	448.633	2.718	1	0		IFAFHN
O=C1OC2(CN1CCc1ccccc1)CCN(C[C@H](O)[C@H]1COc3ccccc3O1)CC2	ZINC000028760212	563063683	/nfs/dbraw/zinc/06/36/83/563063683.db2.gz	LOYRSOQYTOZOEV-NZQKXSOJSA-N	0	3	438.524	2.717	1	0		IFAFHN
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1	ZINC000028895328	563068719	/nfs/dbraw/zinc/06/87/19/563068719.db2.gz	KYEOZLCVRPZPOT-QHCPKHFHSA-N	0	3	441.597	2.762	1	0		IFAFHN
NC(=O)c1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000040401588	563100942	/nfs/dbraw/zinc/10/09/42/563100942.db2.gz	GXKIGKDMKQQKJN-GYHUNEDQSA-N	0	3	441.531	2.966	1	0		IFAFHN
O=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CC[C@H](O)C1)OCO3	ZINC000058541007	563144235	/nfs/dbraw/zinc/14/42/35/563144235.db2.gz	OAUPWEYGNWPTAY-HNNXBMFYSA-N	0	3	427.460	2.874	1	0		IFAFHN
COc1ccc2c(c1)CN[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)C2	ZINC000058563895	563144580	/nfs/dbraw/zinc/14/45/80/563144580.db2.gz	PCTPVZRMOUJRQY-JOCHJYFZSA-N	0	3	435.528	2.679	1	0		IFAFHN
COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)NC2	ZINC000058568630	563144665	/nfs/dbraw/zinc/14/46/65/563144665.db2.gz	JPIZMTCZKMZLDC-JOCHJYFZSA-N	0	3	435.528	2.679	1	0		IFAFHN
CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc[nH]4)CC3)[C@@H](C)C2)c(Cl)c1	ZINC000066076688	563157614	/nfs/dbraw/zinc/15/76/14/563157614.db2.gz	UIZKJFMZYHBFIB-INIZCTEOSA-N	0	3	430.984	2.598	1	0		IFAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(F)cc2)C1)C1CCCCC1	ZINC000082149892	563173113	/nfs/dbraw/zinc/17/31/13/563173113.db2.gz	IELLGYJMVPHBIT-TZYHBYERSA-N	0	3	446.611	2.622	1	0		IFAFHN
C[C@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(F)cc1	ZINC000095581235	563187581	/nfs/dbraw/zinc/18/75/81/563187581.db2.gz	ASDFSRNMHPUURW-MRXNPFEDSA-N	0	3	428.483	2.512	1	0		IFAFHN
CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1	ZINC000095594475	563191017	/nfs/dbraw/zinc/19/10/17/563191017.db2.gz	GRLHAVISXZHNTO-OAHLLOKOSA-N	0	3	428.455	2.916	1	0		IFAFHN
O=C1CN(S(=O)(=O)C=Cc2ccc(Cl)s2)CCN1Cc1cc2c[nH]ccc-2n1	ZINC000100935048	581101745	/nfs/dbraw/zinc/10/17/45/581101745.db2.gz	ATZNQQCXCDUFKO-XBXARRHUSA-N	0	3	436.946	2.874	1	0		IFAFHN
O=C1CN(S(=O)(=O)C=Cc2ccc(Cl)s2)CCN1Cc1cc2cnccc2[nH]1	ZINC000100935048	581101746	/nfs/dbraw/zinc/10/17/46/581101746.db2.gz	ATZNQQCXCDUFKO-XBXARRHUSA-N	0	3	436.946	2.874	1	0		IFAFHN
O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1	ZINC000004238951	132271308	/nfs/dbraw/zinc/27/13/08/132271308.db2.gz	GLKLDEFPTYDHNU-UHFFFAOYSA-N	0	3	434.450	2.590	1	0		IFAFHN
O=C1NC(=O)[C@](Cc2ccccc2)(C2CCN(Cc3cccn3-c3cccnc3)CC2)N1	ZINC000012047476	562980497	/nfs/dbraw/zinc/98/04/97/562980497.db2.gz	DDNPBWCARZPIIL-VWLOTQADSA-N	0	3	429.524	2.905	1	0		IFAFHN
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1	ZINC000013687614	563001183	/nfs/dbraw/zinc/00/11/83/563001183.db2.gz	WEJSODMUGFBSEP-HSZRJFAPSA-N	0	3	449.595	2.932	1	0		IFAFHN
CC(C)C(=O)Nc1cccc(N2CCN(CCCCN3C(=O)[C@H]4CCCN4C3=O)CC2)c1	ZINC000013861490	563012739	/nfs/dbraw/zinc/01/27/39/563012739.db2.gz	ISTWNACBFZHHBA-OAQYLSRUSA-N	0	3	441.576	2.610	1	0		IFAFHN
COC[C@@H]1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn32)C1	ZINC000015066232	563017453	/nfs/dbraw/zinc/01/74/53/563017453.db2.gz	BKDPLGGLXKNPRI-HXUWFJFHSA-N	0	3	439.604	2.893	3	0		IFAFHN
O[C@H](Cn1cnc2cncnc21)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000022937557	563026394	/nfs/dbraw/zinc/02/63/94/563026394.db2.gz	DLOQRGPAMTVVPY-QFIPXVFZSA-N	0	3	428.540	2.594	1	0		IFAFHN
NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1	ZINC000026276223	563030540	/nfs/dbraw/zinc/03/05/40/563030540.db2.gz	LKIYBTPZYPMWRF-DEOSSOPVSA-N	0	3	443.547	2.834	1	0		IFAFHN
CN1CCN(c2ccc(S(=O)(=O)N(Cc3cnc[nH]3)CC3CCCCC3)cc2)CC1	ZINC000026651005	563034614	/nfs/dbraw/zinc/03/46/14/563034614.db2.gz	RWVUVNXCQQCGST-UHFFFAOYSA-N	0	3	431.606	2.933	1	0		IFAFHN
N[C@H]1CN(c2cc(N3CCC(F)(F)C3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F	ZINC000036310928	563092641	/nfs/dbraw/zinc/09/26/41/563092641.db2.gz	LKUGIJRTOCZQPS-ABAIWWIYSA-N	0	3	427.377	2.587	1	0		IFAFHN
O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CCNC2	ZINC000036520924	563095758	/nfs/dbraw/zinc/09/57/58/563095758.db2.gz	WGEPQVBODKJRQI-IBGZPJMESA-N	0	3	444.944	2.551	1	0		IFAFHN
O=C(O[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532)c1cccnc1	ZINC000040915657	563111374	/nfs/dbraw/zinc/11/13/74/563111374.db2.gz	RCYXOZUZNZBWFM-RTOPKKFASA-N	0	3	446.503	2.785	1	0		IFAFHN
CCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]2C1=O	ZINC000061921211	563149126	/nfs/dbraw/zinc/14/91/26/563149126.db2.gz	JUONLYBYTPBBOZ-PIXQIBFHSA-N	0	3	447.535	2.522	3	0		IFAFHN
CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]2C1=O	ZINC000061921234	563149214	/nfs/dbraw/zinc/14/92/14/563149214.db2.gz	ITXMSDJPZWRYTG-PIXQIBFHSA-N	0	3	431.536	2.822	3	0		IFAFHN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O	ZINC000061947664	563151479	/nfs/dbraw/zinc/15/14/79/563151479.db2.gz	XSIILHNFFYUWMM-JJRVBVJISA-N	0	3	445.482	2.749	3	0		IFAFHN
N[C@@H](CC(=O)N1CCN(Cc2ccccc2Cl)C(=O)C1)Cc1cc(F)c(F)cc1F	ZINC000071334107	563162577	/nfs/dbraw/zinc/16/25/77/563162577.db2.gz	IPJNTMRIXXBAIG-OAHLLOKOSA-N	0	3	439.865	2.888	1	0		IFAFHN
C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCCOCC1	ZINC000072112230	563163430	/nfs/dbraw/zinc/16/34/30/563163430.db2.gz	JLQVLNOPWLXMEC-UHFFFAOYSA-N	0	3	425.610	2.992	1	0		IFAFHN
Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[C@H]2CCCCN2)sc1CO	ZINC000084711517	563177604	/nfs/dbraw/zinc/17/76/04/563177604.db2.gz	DABZTAYFUWRJOD-ZBFHGGJFSA-N	0	3	440.928	2.674	1	0		IFAFHN
Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCCN2)sc1CCO	ZINC000084757166	563179424	/nfs/dbraw/zinc/17/94/24/563179424.db2.gz	CXKXTRRHRJSSBG-NVXWUHKLSA-N	0	3	436.965	2.578	1	0		IFAFHN
Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCCN2)sc1CCO	ZINC000084757168	563179453	/nfs/dbraw/zinc/17/94/53/563179453.db2.gz	CXKXTRRHRJSSBG-WBVHZDCISA-N	0	3	436.965	2.578	1	0		IFAFHN
Cn1cnc(S(=O)(=O)[N-]Cc2ccc3c(c2)[C@@H](Cc2cccc(F)c2)[C@H]([NH3+])CC3)c1	ZINC000088260845	563180244	/nfs/dbraw/zinc/18/02/44/563180244.db2.gz	IOCKKSQPNZXNKA-NHCUHLMSSA-N	0	3	428.533	2.638	1	0		IFAFHN
NC1(C(=O)N[C@H](CCCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1	ZINC000095585033	563188701	/nfs/dbraw/zinc/18/87/01/563188701.db2.gz	LDSYQXFMCPTTQM-GOSISDBHSA-N	0	3	442.951	2.539	1	0		IFAFHN
CC(C)(C)CNC(=O)Cc1ccc(Nc2[nH]c(=NN3CCCCC3)ncc2C(N)=O)cc1	ZINC000096938252	563199741	/nfs/dbraw/zinc/19/97/41/563199741.db2.gz	BKSUJJAVIJPEDS-UHFFFAOYSA-N	0	3	439.564	2.837	1	0		IFAFHN
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1C(=O)[C@H](O)[C@H]1[C@@H](C)/C(=C/C(=O)OCCN(C)C)CC[C@@H]12	ZINC000095911395	291344029	/nfs/dbraw/zinc/34/40/29/291344029.db2.gz	ARSSWIWXJFPAGJ-DRHOSNRCSA-N	0	3	449.588	2.609	1	0	biogenic,in-vitro	IFAFHN
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1	ZINC000004238508	132270966	/nfs/dbraw/zinc/27/09/66/132270966.db2.gz	WDPYCZPAQLTDDN-UHFFFAOYSA-N	0	3	448.477	2.784	1	0		IFAFHN
Cn1cc(-c2nc3cnc(N4CCNCC4)nc3n(-c3ccccc3)c2=O)c2ccccc21	ZINC000004238989	132271295	/nfs/dbraw/zinc/27/12/95/132271295.db2.gz	PKURRBAVDJDYOF-UHFFFAOYSA-N	0	3	437.507	2.744	1	0		IFAFHN
C[C@@H](c1ccc(-c2cc(Br)c(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	ZINC000014947711	563015484	/nfs/dbraw/zinc/01/54/84/563015484.db2.gz	VLJLBZMJQKBJEZ-IWEFOYFVSA-N	0	3	436.325	2.816	1	0		IFAFHN
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1	ZINC000026183971	563029716	/nfs/dbraw/zinc/02/97/16/563029716.db2.gz	WWPYNKRNJNPFSG-FQEVSTJZSA-N	0	3	445.516	2.594	1	0		IFAFHN
CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N1CC[C@H](NCCCC2CCCCC2)C1=O	ZINC000026254122	563030173	/nfs/dbraw/zinc/03/01/73/563030173.db2.gz	CPWOKALQLDEEOB-ACRUOGEOSA-N	0	3	436.641	2.722	1	0		IFAFHN
C[C@H](O)c1c(O)nc2n1Cc1cc(OCCCC(=O)N(C)C3CCCCC3)ccc1N2	ZINC000026936513	563037920	/nfs/dbraw/zinc/03/79/20/563037920.db2.gz	HCBHJNHOGXHCLR-YCRPNKLZSA-N	0	3	428.533	2.510	1	0		IFAFHN
C[C@H](O)C1C(=O)N=C2Nc3ccc(OCCCC(=O)N(C)C4CCCCC4)cc3CN21	ZINC000026936513	563037922	/nfs/dbraw/zinc/03/79/22/563037922.db2.gz	HCBHJNHOGXHCLR-YCRPNKLZSA-N	0	3	428.533	2.510	1	0		IFAFHN
O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(C/C=C\I)c1ccccc1	ZINC000027984430	563048783	/nfs/dbraw/zinc/04/87/83/563048783.db2.gz	MMUQVFDMUDOFSH-LCOISOFCSA-N	0	3	427.282	2.850	1	0		IFAFHN
COc1ccccc1OC[C@H](O)CN1CCC2(CN(Cc3ccccc3)C(=O)O2)CC1	ZINC000028760036	563063705	/nfs/dbraw/zinc/06/37/05/563063705.db2.gz	ACKNJGHDCWEMBE-HXUWFJFHSA-N	0	3	426.513	2.922	1	0		IFAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCc1nc(C)c(Cc2ccccc2)[nH]c1=O	ZINC000028825454	563066230	/nfs/dbraw/zinc/06/62/30/563066230.db2.gz	JEGWUGKGNRTWAQ-QFIPXVFZSA-N	0	3	448.567	2.610	1	0		IFAFHN
Cc1ccc(S(=O)(=O)N2CCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1	ZINC000028891287	563068396	/nfs/dbraw/zinc/06/83/96/563068396.db2.gz	VPQHTAKDYVFADH-OAHLLOKOSA-N	0	3	441.475	2.510	1	0		IFAFHN
O=S(=O)(c1c(Cl)cccc1Cl)N1CCOc2c(N3CCNCC3)cccc21	ZINC000028948449	563069336	/nfs/dbraw/zinc/06/93/36/563069336.db2.gz	FHDXGBMDMHTQLM-UHFFFAOYSA-N	0	3	428.341	2.991	1	0		IFAFHN
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCCC2	ZINC000034480422	563086415	/nfs/dbraw/zinc/08/64/15/563086415.db2.gz	LQAYFYWMQKQPPJ-UHFFFAOYSA-N	0	3	446.599	2.919	1	0		IFAFHN
O=C1[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CC[NH2+]C2	ZINC000036520920	563095811	/nfs/dbraw/zinc/09/58/11/563095811.db2.gz	YBAIDNPIPDMFFV-JEJOPICUSA-N	0	3	437.974	2.743	1	0		IFAFHN
CN(C)CCNC(=O)c1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2	ZINC000040919113	563112013	/nfs/dbraw/zinc/11/20/13/563112013.db2.gz	WDXLEIFOYAQNAO-LJQANCHMSA-N	0	3	433.512	2.558	1	0		IFAFHN
CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(-n5cccc5)cc43)cc2)CC1	ZINC000045498185	563134596	/nfs/dbraw/zinc/13/45/96/563134596.db2.gz	YUICBCYOYHUCDG-QJOMJCCJSA-N	0	3	427.508	2.952	1	0		IFAFHN
CN(CCCCOc1cccc(N)c1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049112868	563138365	/nfs/dbraw/zinc/13/83/65/563138365.db2.gz	OUHIYTOGAIRJKT-QFIPXVFZSA-N	0	3	431.487	2.817	1	0		IFAFHN
CN1CCC(N2CCN([C@H](c3nnnn3Cc3ccccc3)c3ccc(F)cc3)CC2)CC1	ZINC000058581557	563144962	/nfs/dbraw/zinc/14/49/62/563144962.db2.gz	SKMWDKKKIZNIEI-DEOSSOPVSA-N	0	3	449.578	2.662	1	0		IFAFHN
Cn1c2ccccc2n(C2CCN(C(=O)C3CCN(Cc4ccncc4)CC3)CC2)c1=O	ZINC000058592267	563145599	/nfs/dbraw/zinc/14/55/99/563145599.db2.gz	MZTTZMXOZUZREU-UHFFFAOYSA-N	0	3	433.556	2.811	1	0		IFAFHN
Cc1ccc2c(cccc2N2CCN(CCc3cccc4c3OCc3nnnn3-4)CC2)n1	ZINC000064504067	563153922	/nfs/dbraw/zinc/15/39/22/563153922.db2.gz	SBDOPCIVOPZGMV-UHFFFAOYSA-N	0	3	427.512	2.776	1	0		IFAFHN
CNCc1cn(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F	ZINC000064548612	563155467	/nfs/dbraw/zinc/15/54/67/563155467.db2.gz	KZWLGIYYDMZFHQ-UHFFFAOYSA-N	0	3	429.468	2.689	1	0		IFAFHN
N[C@@H](CC(=O)N1CCS[C@@H]1C(=O)NCc1ccccc1)Cc1cc(F)c(F)cc1F	ZINC000066066644	563157190	/nfs/dbraw/zinc/15/71/90/563157190.db2.gz	AAGWKHSEAIXNGH-QVKFZJNVSA-N	0	3	437.487	2.582	1	0		IFAFHN
NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@@H]3CCN(Cc4ccccc4)C3)cc1-2	ZINC000066079779	563157865	/nfs/dbraw/zinc/15/78/65/563157865.db2.gz	CMCAUNLIMUYFOJ-CQSZACIVSA-N	0	3	436.541	2.747	1	0		IFAFHN
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)[C@@H]1C[C@H]1c1ccccc1	ZINC000072140976	563164527	/nfs/dbraw/zinc/16/45/27/563164527.db2.gz	HAIBVYFFPCOBAR-AJSBUHFISA-N	0	3	432.568	2.723	1	0		IFAFHN
O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NC4CCC4)nn32)cc1F	ZINC000072177899	563166090	/nfs/dbraw/zinc/16/60/90/563166090.db2.gz	LJFXUILWGUDNNB-ZBFHGGJFSA-N	0	3	426.471	2.930	1	0		IFAFHN
CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1	ZINC000072182498	563167419	/nfs/dbraw/zinc/16/74/19/563167419.db2.gz	SZKRTTIHILIRKD-UHFFFAOYSA-N	0	3	444.565	2.585	1	0	in-vitro	IFAFHN
Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[C@H]2CCCCN2)sc1CO	ZINC000084711515	563177577	/nfs/dbraw/zinc/17/75/77/563177577.db2.gz	DABZTAYFUWRJOD-GDBMZVCRSA-N	0	3	440.928	2.674	1	0		IFAFHN
Cc1ccc(N2CCN(CCC(=O)N3c4ccccc4C[C@H]3C(=O)N(C)C)CC2)c(C)c1	ZINC000084724668	563178084	/nfs/dbraw/zinc/17/80/84/563178084.db2.gz	SXOCYRUBUXCPRX-DEOSSOPVSA-N	0	3	434.584	2.862	1	0		IFAFHN
Cn1cnc(S(=O)(=O)[N-]Cc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@@H]([NH3+])CC3)c1	ZINC000088260846	563180215	/nfs/dbraw/zinc/18/02/15/563180215.db2.gz	IOCKKSQPNZXNKA-SFTDATJTSA-N	0	3	428.533	2.638	1	0		IFAFHN
N[C@@H](CC(=O)NC1(c2ccccc2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F	ZINC000095562576	563182656	/nfs/dbraw/zinc/18/26/56/563182656.db2.gz	XQHUNZLJGVLJKJ-MRXNPFEDSA-N	0	3	440.487	2.584	1	0		IFAFHN
COCC[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc32)CC1)c1ccc(Cl)cc1	ZINC000095581934	563187782	/nfs/dbraw/zinc/18/77/82/563187782.db2.gz	IDQNLUQAYNKBEW-GOSISDBHSA-N	0	3	442.951	2.803	1	0		IFAFHN
COc1cc(O)c([C@@H](CC(=O)N2C[C@@H](C)N[C@@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1	ZINC000095583181	563188180	/nfs/dbraw/zinc/18/81/80/563188180.db2.gz	JGDWVGFEVPRTJH-DAYGRLMNSA-N	0	3	442.512	2.869	1	0		IFAFHN
O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2)O1)NCCc1ccccc1	ZINC000095603690	563193499	/nfs/dbraw/zinc/19/34/99/563193499.db2.gz	CWSXDRNTEREEBO-ZKGSSEMHSA-N	0	3	438.568	2.545	1	0		IFAFHN
O=C1c2cccc3c2c(cn3S(=O)(=O)c2ccccc2)CCN1[C@@H]1CN2CCC1CC2	ZINC000096169954	563195475	/nfs/dbraw/zinc/19/54/75/563195475.db2.gz	IQMIOVIDFWQLDA-JOCHJYFZSA-N	0	3	435.549	2.971	1	0		IFAFHN
Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC[C@H](C(=O)NCCN(C)C)C1)nnc2C	ZINC000009224402	132309797	/nfs/dbraw/zinc/30/97/97/132309797.db2.gz	YEMCDIRWIOOFOT-IBGZPJMESA-N	0	3	435.576	2.635	1	0		IFAFHN
O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1ccc(F)cc1	ZINC000004238551	562942897	/nfs/dbraw/zinc/94/28/97/562942897.db2.gz	LBSDEPHHOYZISL-UHFFFAOYSA-N	0	3	444.514	2.569	1	0		IFAFHN
O=C(Cc1c(F)ccc([N-]S(=O)(=O)Cc2ccccc2)c1F)NCC1CC[NH2+]CC1	ZINC000013527407	562991838	/nfs/dbraw/zinc/99/18/38/562991838.db2.gz	CFISPWWFAULNRE-UHFFFAOYSA-N	0	3	437.512	2.565	1	0		IFAFHN
O=C1[C@@H]2Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]42[C@@]3(O)CC12Cc1ccccc1C2	ZINC000013734638	563002187	/nfs/dbraw/zinc/00/21/87/563002187.db2.gz	WLGQGKOZUDOESI-NZHOUOPXSA-N	0	3	443.543	2.921	1	0		IFAFHN
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c5ncncc5sc4c3=O)C[C@@H]21	ZINC000013807899	563008722	/nfs/dbraw/zinc/00/87/22/563008722.db2.gz	WWSGGSPLXKFAEN-XJKSGUPXSA-N	0	3	449.536	2.777	1	0		IFAFHN
NS(=O)(=O)c1cc(NCCNC[C@H](O)COc2cccc3ccccc32)ccc1Cl	ZINC000013861218	563012692	/nfs/dbraw/zinc/01/26/92/563012692.db2.gz	NUPOPPYKLMMBNH-KRWDZBQOSA-N	0	3	449.960	2.582	1	0		IFAFHN
COc1cccc2c1[C@H]1CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)C[C@H]1C2	ZINC000027864314	563047557	/nfs/dbraw/zinc/04/75/57/563047557.db2.gz	KAOMAOPHBDZGKV-MSOLQXFVSA-N	0	3	426.538	2.892	1	0		IFAFHN
CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@](O)(c2ccccc2)C1=O	ZINC000028341726	563052870	/nfs/dbraw/zinc/05/28/70/563052870.db2.gz	VAEJGCPNIKWEIU-OAQYLSRUSA-N	0	3	435.446	2.729	1	0		IFAFHN
CCN(CC)CCN1c2cc(C(N)=O)cc(C(F)(F)F)c2[C@@](O)(c2ccccc2)C1=O	ZINC000028341733	563052888	/nfs/dbraw/zinc/05/28/88/563052888.db2.gz	VAEJGCPNIKWEIU-NRFANRHFSA-N	0	3	435.446	2.729	1	0		IFAFHN
COc1ccccc1OC[C@@H](O)CN1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1	ZINC000028760259	563063671	/nfs/dbraw/zinc/06/36/71/563063671.db2.gz	QWUNCUSSEKJSLF-NRFANRHFSA-N	0	3	440.540	2.964	1	0		IFAFHN
CC[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F	ZINC000028967651	563071067	/nfs/dbraw/zinc/07/10/67/563071067.db2.gz	JSRMFFSKABKZOG-YGRLFVJLSA-N	0	3	435.372	2.968	1	0		IFAFHN
O=C(COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1)NC1CCCC1	ZINC000029463947	563080181	/nfs/dbraw/zinc/08/01/81/563080181.db2.gz	XLALRVBCWJMVFW-FQEVSTJZSA-N	0	3	428.529	2.533	1	0		IFAFHN
CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1	ZINC000034207348	563085751	/nfs/dbraw/zinc/08/57/51/563085751.db2.gz	DHMMQCJCZXAHQH-IBGZPJMESA-N	0	3	430.476	2.699	1	0		IFAFHN
O=C(O[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532)c1ccccn1	ZINC000040420689	563102162	/nfs/dbraw/zinc/10/21/62/563102162.db2.gz	VIYHDCFGTLGXJX-RTOPKKFASA-N	0	3	446.503	2.785	1	0		IFAFHN
COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@H](C)N)C2(C)C)c1	ZINC000040423522	563102662	/nfs/dbraw/zinc/10/26/62/563102662.db2.gz	XHBFICJERBKPGW-HOTGVXAUSA-N	0	3	427.549	2.578	1	0		IFAFHN
CCCC1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(Cl)cc2)S(=O)(=O)N1C	ZINC000040877873	563109569	/nfs/dbraw/zinc/10/95/69/563109569.db2.gz	AITWOGXCAJAHPU-GJZGRUSLSA-N	0	3	434.967	2.899	1	0		IFAFHN
C[C@H](N)C(=O)NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)NCc1ccccc1	ZINC000040918097	563111743	/nfs/dbraw/zinc/11/17/43/563111743.db2.gz	WUXDSCIXAVYWPS-AWEZNQCLSA-N	0	3	445.445	2.785	1	0		IFAFHN
O=C(Cn1cccc(NC(=O)c2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1	ZINC000043009285	563116370	/nfs/dbraw/zinc/11/63/70/563116370.db2.gz	OCJKVRRCTLRBSU-UHFFFAOYSA-N	0	3	444.535	2.881	1	0		IFAFHN
CCOC(=O)c1cc(Cl)cc(Cl)c1OCCCON1C(=N)NC(N)=NC1(C)C	ZINC000045229408	563125820	/nfs/dbraw/zinc/12/58/20/563125820.db2.gz	KNDIZSHEXFLXIB-UHFFFAOYSA-N	0	3	432.308	2.971	1	0		IFAFHN
N[C@@H](CC(=O)N1CCC[C@H]1c1nc(-c2cnccn2)no1)Cc1cc(F)c(F)cc1F	ZINC000045245588	563126576	/nfs/dbraw/zinc/12/65/76/563126576.db2.gz	DRUXRRHZZFHBIA-PXAZEXFGSA-N	0	3	432.406	2.568	1	0		IFAFHN
CCN(C[C@@H](C)NC(=O)OCc1cncs1)C[C@@H](C)NC(=O)OCc1nccs1	ZINC000049032731	563135842	/nfs/dbraw/zinc/13/58/42/563135842.db2.gz	QURAXYQDHTYNMN-ZIAGYGMSSA-N	0	3	441.579	2.851	1	0		IFAFHN
CNC(=O)CN1c2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)S1(=O)=O	ZINC000049054460	563137159	/nfs/dbraw/zinc/13/71/59/563137159.db2.gz	DJCHJXJTDJZMOI-UHFFFAOYSA-N	0	3	448.633	2.983	1	0		IFAFHN
COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(C(=O)NCCN(C)C)c3)C[C@H]1C=N2	ZINC000049803730	563140111	/nfs/dbraw/zinc/14/01/11/563140111.db2.gz	ININELLNOHHOAP-IBGZPJMESA-N	0	3	448.523	2.967	1	0		IFAFHN
CC(C)CC1C(=O)N(COC(=O)Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1	ZINC000058604236	563145812	/nfs/dbraw/zinc/14/58/12/563145812.db2.gz	PYFAAFJVLQXBMJ-FQEVSTJZSA-N	0	3	430.526	2.734	1	0		IFAFHN
CN[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)Nc1cccc2ccccc21)C(C)C)C(C)C	ZINC000061925530	563149728	/nfs/dbraw/zinc/14/97/28/563149728.db2.gz	ZLKBWOYLJUESSU-HBGVWJBISA-N	0	3	426.561	2.668	3	0		IFAFHN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CC2)Oc2c(NC(=O)C3CC3)cccc2C1=O	ZINC000061947821	563151441	/nfs/dbraw/zinc/15/14/41/563151441.db2.gz	MULGLWHDMXCJTJ-GCKMJXCFSA-N	0	3	429.561	2.597	3	0		IFAFHN
N[C@@H](CC(=O)N1CCS[C@H]1C(=O)NCc1ccccc1)Cc1cc(F)c(F)cc1F	ZINC000066066645	563157216	/nfs/dbraw/zinc/15/72/16/563157216.db2.gz	AAGWKHSEAIXNGH-VFNWGFHPSA-N	0	3	437.487	2.582	1	0		IFAFHN
Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCCCN2)sc1CO	ZINC000084757981	563179500	/nfs/dbraw/zinc/17/95/00/563179500.db2.gz	PLCPYCCXJPMGGA-GDBMZVCRSA-N	0	3	440.928	2.674	1	0		IFAFHN
COC(=O)[C@@H]1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]([C@H]1CO)N2CC1CCCC1	ZINC000095881524	563194952	/nfs/dbraw/zinc/19/49/52/563194952.db2.gz	PYNGVIMXOMYUPN-QQUTXWOLSA-N	0	3	440.515	2.981	1	0		IFAFHN
CNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1	ZINC000096271612	563196799	/nfs/dbraw/zinc/19/67/99/563196799.db2.gz	ZOUTXIIJDDJYDB-SFHVURJKSA-N	0	3	446.931	2.615	1	0		IFAFHN
COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(CCc3ccccc3)c2=O)cc1	ZINC000004238428	132270985	/nfs/dbraw/zinc/27/09/85/132270985.db2.gz	UBMIMMMNJXUZMK-UHFFFAOYSA-N	0	3	442.523	2.514	1	0		IFAFHN
COc1ccc([C@@H]2Cc3c(OC)cccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000013450554	562987309	/nfs/dbraw/zinc/98/73/09/562987309.db2.gz	GWUJJNKHFAVIBE-WMZHIEFXSA-N	0	3	426.513	2.870	1	0		IFAFHN
CCCCNC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C	ZINC000013557173	562993281	/nfs/dbraw/zinc/99/32/81/562993281.db2.gz	FAMBSXXFFMYHOV-UHFFFAOYSA-N	0	3	441.576	2.675	1	0		IFAFHN
CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	ZINC000013641623	562998385	/nfs/dbraw/zinc/99/83/85/562998385.db2.gz	HDKXXEJJLTXATL-UHFFFAOYSA-N	0	3	433.516	2.657	1	0		IFAFHN
CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccc(I)cc1)N2C	ZINC000013779950	563006335	/nfs/dbraw/zinc/00/63/35/563006335.db2.gz	PNZRJDWZPRCYEG-XUWVNRHRSA-N	0	3	443.281	2.862	1	0		IFAFHN
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c5cncnc5sc4c3=O)C[C@@H]21	ZINC000013807897	563008758	/nfs/dbraw/zinc/00/87/58/563008758.db2.gz	MRHWXGAMNCRZQE-SUMWQHHRSA-N	0	3	449.536	2.777	1	0		IFAFHN
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c5nccnc5sc4c3=O)C[C@@H]21	ZINC000013807901	563008771	/nfs/dbraw/zinc/00/87/71/563008771.db2.gz	GPDUPWFFWAUFED-XJKSGUPXSA-N	0	3	449.536	2.777	1	0		IFAFHN
CSc1cc(F)c(C[C@@H](N)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1F	ZINC000014958979	563016014	/nfs/dbraw/zinc/01/60/14/563016014.db2.gz	MDSAWPXFBWPRLD-SNVBAGLBSA-N	0	3	435.422	2.599	1	0		IFAFHN
CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N1CC[C@@H](NC/C=C/C2CCCCCC2)C1=O	ZINC000026182920	563029701	/nfs/dbraw/zinc/02/97/01/563029701.db2.gz	UXQFLEQGUAILCU-LXJHWPNQSA-N	0	3	448.652	2.888	1	0		IFAFHN
NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(Cc2ccc3ccccc3c2)CC1	ZINC000026276216	563030563	/nfs/dbraw/zinc/03/05/63/563030563.db2.gz	LKIYBTPZYPMWRF-XMMPIXPASA-N	0	3	443.547	2.834	1	0		IFAFHN
O=C(NCCCN(CCO)CCNC(=O)OCc1ccccc1)OCc1ccccc1	ZINC000026385648	563031535	/nfs/dbraw/zinc/03/15/35/563031535.db2.gz	TUXYCYWGPMLXDF-UHFFFAOYSA-N	0	3	429.517	2.524	1	0		IFAFHN
O=C(NCCNC[C@@H](O)COc1cccc2ccccc21)c1ccc(-n2ccnc2)cc1	ZINC000026734305	563036012	/nfs/dbraw/zinc/03/60/12/563036012.db2.gz	ZXVYBVNQYMWTEB-JOCHJYFZSA-N	0	3	430.508	2.785	1	0		IFAFHN
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N)C(=O)Nc1ccccc1	ZINC000027428674	563042308	/nfs/dbraw/zinc/04/23/08/563042308.db2.gz	RFUWBCJNXALDEH-COPCDDAFSA-N	0	3	438.572	2.621	1	0		IFAFHN
COc1ccc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2F)cc1OC	ZINC000027989878	563048991	/nfs/dbraw/zinc/04/89/91/563048991.db2.gz	QLIFUALSJGRAKX-UHFFFAOYSA-N	0	3	426.510	2.768	1	0		IFAFHN
Cc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028385687	563054180	/nfs/dbraw/zinc/05/41/80/563054180.db2.gz	BKJLSLLPQAKDES-UHFFFAOYSA-N	0	3	425.920	2.957	1	0		IFAFHN
CC[C@@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F	ZINC000028967658	563071064	/nfs/dbraw/zinc/07/10/64/563071064.db2.gz	JSRMFFSKABKZOG-QMTHXVAHSA-N	0	3	435.372	2.968	1	0		IFAFHN
O=C(COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1)NC1CCCC1	ZINC000029463950	563080245	/nfs/dbraw/zinc/08/02/45/563080245.db2.gz	XLALRVBCWJMVFW-HXUWFJFHSA-N	0	3	428.529	2.533	1	0		IFAFHN
NC(=[NH2+])c1ccc2[nH]c(-c3cc(F)cc(-c4cc(CNC(N)=O)ccc4O)c3[O-])nc2c1	ZINC000034804692	563087898	/nfs/dbraw/zinc/08/78/98/563087898.db2.gz	CDTICQCFWOMBGJ-UHFFFAOYSA-N	0	3	434.431	2.900	1	0		IFAFHN
NC(=[NH2+])c1ccc2nc(-c3cc(F)cc(-c4cc(CNC(N)=O)ccc4O)c3[O-])[nH]c2c1	ZINC000034804692	563087899	/nfs/dbraw/zinc/08/78/99/563087899.db2.gz	CDTICQCFWOMBGJ-UHFFFAOYSA-N	0	3	434.431	2.900	1	0		IFAFHN
C[C@H](N)C(=O)NCc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2)cc1	ZINC000040403288	563101129	/nfs/dbraw/zinc/10/11/29/563101129.db2.gz	LDNCXHAZAPZTFT-AWEZNQCLSA-N	0	3	445.445	2.785	1	0		IFAFHN
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N(C)C)CC4)cc2)CC3)cc1	ZINC000040862692	563108414	/nfs/dbraw/zinc/10/84/14/563108414.db2.gz	GIKRSGUYKJEHMZ-UHFFFAOYSA-N	0	3	445.523	2.733	1	0		IFAFHN
CS(=O)(=O)Nc1ccc(OCCNCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000045393122	563134172	/nfs/dbraw/zinc/13/41/72/563134172.db2.gz	HUACKZIZFZPSFP-UHFFFAOYSA-N	0	3	432.329	2.972	1	0		IFAFHN
C[C@@H]1CN(c2cccc3ccccc32)CCN1CCCCN1CC(=O)N2CCC[C@H]2C1=O	ZINC000058655310	563146016	/nfs/dbraw/zinc/14/60/16/563146016.db2.gz	IPDAZPXSBHMPGF-YKSBVNFPSA-N	0	3	434.584	2.964	1	0		IFAFHN
C[C@@H]1CCc2c(nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c2=O)C1	ZINC000059855002	563146791	/nfs/dbraw/zinc/14/67/91/563146791.db2.gz	FCQFXDREOPQEAF-LJQANCHMSA-N	0	3	446.599	2.775	1	0		IFAFHN
Nn1c(=O)c2cc(F)ccc2nc1CCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000064447793	563153348	/nfs/dbraw/zinc/15/33/48/563153348.db2.gz	CFOHOEGJDCNBCR-UHFFFAOYSA-N	0	3	446.530	2.943	1	0		IFAFHN
CN1C(=O)N(C2CCN(C)CC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl	ZINC000064513245	563154226	/nfs/dbraw/zinc/15/42/26/563154226.db2.gz	ZOVACZRAPANZAX-HNNXBMFYSA-N	0	3	432.874	2.805	1	0		IFAFHN
O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CNCC2	ZINC000066113521	563159181	/nfs/dbraw/zinc/15/91/81/563159181.db2.gz	NNIVKIZUNYJZTR-IBGZPJMESA-N	0	3	444.944	2.551	1	0		IFAFHN
COC(=O)C1(CNC(=O)c2cc(OC)cc(OC)c2)CCN(CCc2ccccc2)CC1	ZINC000072123081	563163973	/nfs/dbraw/zinc/16/39/73/563163973.db2.gz	JRIMPBOSAUFPEB-UHFFFAOYSA-N	0	3	440.540	2.932	1	0		IFAFHN
CN(CCN1CCCCC1)c1ccc(Cn2c3cc(C(F)(F)F)nc(N)c3[nH]c2=O)cn1	ZINC000072139767	563164444	/nfs/dbraw/zinc/16/44/44/563164444.db2.gz	FBIKDAGCINCIRM-UHFFFAOYSA-N	0	3	449.481	2.691	1	0		IFAFHN
CC(C)(C)C(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000072141392	563164752	/nfs/dbraw/zinc/16/47/52/563164752.db2.gz	GIQJNPACNRGDFA-UQRMEHQUSA-N	0	3	425.525	2.771	1	0		IFAFHN
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1	ZINC000072318830	563168510	/nfs/dbraw/zinc/16/85/10/563168510.db2.gz	NSKYYUZMAXEZIR-AQTBWJFISA-N	0	3	425.508	2.839	1	0		IFAFHN
C[C@H](c1ccccc1)N1CCN(CCC(=O)N2c3ccccc3C[C@@H]2C(=O)N(C)C)CC1	ZINC000084723752	563178004	/nfs/dbraw/zinc/17/80/04/563178004.db2.gz	YFJRHVMEDJHMGJ-HYBUGGRVSA-N	0	3	434.584	2.801	1	0		IFAFHN
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1	ZINC000001539417	562922677	/nfs/dbraw/zinc/92/26/77/562922677.db2.gz	KOKQDIGRUUTJDV-NRFANRHFSA-N	0	3	442.537	2.765	1	0		IFAFHN
CC1(C)c2nnc(C(F)(F)F)n2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F	ZINC000003962167	562940146	/nfs/dbraw/zinc/94/01/46/562940146.db2.gz	LUMJCBDYZFHCSE-SNVBAGLBSA-N	0	3	435.372	2.752	1	0		IFAFHN
C[C@@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1	ZINC000006577214	562947481	/nfs/dbraw/zinc/94/74/81/562947481.db2.gz	LTXDLEZXAPESAY-GOSISDBHSA-N	0	3	444.601	2.626	3	0		IFAFHN
COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cccnc2OC)CCO3)C1	ZINC000011975582	562980041	/nfs/dbraw/zinc/98/00/41/562980041.db2.gz	INYSPCOWGJQKBF-IBGZPJMESA-N	0	3	425.529	2.983	1	0		IFAFHN
CCOC(=O)c1cnc2c(c1)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5	ZINC000013487522	562989427	/nfs/dbraw/zinc/98/94/27/562989427.db2.gz	GZKCUSKJYBMNIU-QTYVQNMISA-N	0	3	448.519	2.663	1	0		IFAFHN
Cc1ccc(S(=O)(=O)N2CCC(c3nnc(SCCN4CCCC4)n3C)CC2)cc1	ZINC000013565100	562994360	/nfs/dbraw/zinc/99/43/60/562994360.db2.gz	UTBQINAEOFOKHC-UHFFFAOYSA-N	0	3	449.646	2.880	3	0		IFAFHN
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1CNC(=O)C(C)(C)C	ZINC000013863376	563013259	/nfs/dbraw/zinc/01/32/59/563013259.db2.gz	OWRPMMAPXSPOTG-REWPJTCUSA-N	0	3	437.584	2.995	1	0		IFAFHN
Cc1cccc2c1Oc1cc(Cl)ccc1[C@H]2NC(=O)CCN1CCN(CCO)CC1	ZINC000019365423	563022690	/nfs/dbraw/zinc/02/26/90/563022690.db2.gz	PLXNZYLEZNYLHB-JOCHJYFZSA-N	0	3	429.948	2.960	1	0		IFAFHN
N[C@H](CC1CCCCC1)C(=O)N1[C@H](C(=O)NCC=Cc2c[nH]cn2)C[C@@H]2CCCC[C@@H]21	ZINC000026668687	563035284	/nfs/dbraw/zinc/03/52/84/563035284.db2.gz	YTJOGLVXBHDUCG-XTZNSWNESA-N	0	3	427.593	2.997	1	0		IFAFHN
O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1	ZINC000027984424	563048789	/nfs/dbraw/zinc/04/87/89/563048789.db2.gz	MMUQVFDMUDOFSH-IYWCZBAPSA-N	0	3	427.282	2.850	1	0		IFAFHN
Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1	ZINC000029125741	563074474	/nfs/dbraw/zinc/07/44/74/563074474.db2.gz	IBDJHIUJBNHQLW-QGZVFWFLSA-N	0	3	434.462	2.717	1	0		IFAFHN
CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1	ZINC000029125737	563074516	/nfs/dbraw/zinc/07/45/16/563074516.db2.gz	SWSMNILBFGVKAL-GOSISDBHSA-N	0	3	448.489	2.971	1	0		IFAFHN
CN(C)C(=O)c1ccc(COc2ccc(N3C(=N)NC(=N)NC3(C)C)cc2Cl)cc1	ZINC000029219188	563076826	/nfs/dbraw/zinc/07/68/26/563076826.db2.gz	NSIAKGMGHQNEQZ-UHFFFAOYSA-N	0	3	428.924	2.806	1	0		IFAFHN
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)c1ccc(F)c(F)c1	ZINC000040897242	563110560	/nfs/dbraw/zinc/11/05/60/563110560.db2.gz	JMFQTTHZMGEEHM-INIZCTEOSA-N	0	3	428.483	2.512	1	0		IFAFHN
COc1ccc2nccc(N3CCC(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1	ZINC000045210800	563125321	/nfs/dbraw/zinc/12/53/21/563125321.db2.gz	JPZBGPPBGDLRMB-UHFFFAOYSA-N	0	3	448.527	2.761	1	0		IFAFHN
CN(CCCCOc1ccccc1N)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049033450	563135972	/nfs/dbraw/zinc/13/59/72/563135972.db2.gz	LGWZJQVRMGKYED-QFIPXVFZSA-N	0	3	431.487	2.817	1	0		IFAFHN
O=C(C1CCN(CCc2ccncc2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000058592367	563145607	/nfs/dbraw/zinc/14/56/07/563145607.db2.gz	BJLDKCODBKPRQX-UHFFFAOYSA-N	0	3	433.556	2.843	1	0		IFAFHN
Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1	ZINC000061921241	563149238	/nfs/dbraw/zinc/14/92/38/563149238.db2.gz	DQVACYFTTIGQJO-QTDDQOEGSA-N	0	3	435.499	2.571	3	0		IFAFHN
Nn1c(=O)c2c(F)cccc2nc1CCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000064454332	563153695	/nfs/dbraw/zinc/15/36/95/563153695.db2.gz	UFZPJSNEEQOZFZ-UHFFFAOYSA-N	0	3	446.530	2.943	1	0		IFAFHN
COc1ccc(C(=O)C2CCN([C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O)CC2)cc1	ZINC000084689682	563176226	/nfs/dbraw/zinc/17/62/26/563176226.db2.gz	CMKCGSUTJCUGKH-WOJBJXKFSA-N	0	3	428.554	2.927	1	0		IFAFHN
C[C@@H](c1ccccc1)N1CCN(CCC(=O)N2c3ccccc3C[C@@H]2C(=O)N(C)C)CC1	ZINC000084723750	563177990	/nfs/dbraw/zinc/17/79/90/563177990.db2.gz	YFJRHVMEDJHMGJ-GBXCKJPGSA-N	0	3	434.584	2.801	1	0		IFAFHN
Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCCCN2)sc1CO	ZINC000084757978	563179535	/nfs/dbraw/zinc/17/95/35/563179535.db2.gz	PLCPYCCXJPMGGA-GOEBONIOSA-N	0	3	440.928	2.674	1	0		IFAFHN
C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1	ZINC000009211089	562968203	/nfs/dbraw/zinc/96/82/03/562968203.db2.gz	IQKDBWIOLOWPQY-RBUKOAKNSA-N	0	3	439.608	2.760	3	0		IFAFHN
C[C@H]1CN(c2cccc3ccccc32)CCN1CCCCN1CC(=O)N2CCC[C@@H]2C1=O	ZINC000013642264	562998526	/nfs/dbraw/zinc/99/85/26/562998526.db2.gz	IPDAZPXSBHMPGF-GBXCKJPGSA-N	0	3	434.584	2.964	1	0		IFAFHN
COCc1cc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)ccc1OC	ZINC000014959686	563016075	/nfs/dbraw/zinc/01/60/75/563016075.db2.gz	DAFGEPIQZPGHJB-SFHVURJKSA-N	0	3	436.516	2.668	3	0		IFAFHN
COc1cc(OC)cc(-c2cc3cnc(NCCCN4CCN(C)CC4)cc3nc2N)c1	ZINC000022933803	563026429	/nfs/dbraw/zinc/02/64/29/563026429.db2.gz	NLUPPEQIXOCYEE-UHFFFAOYSA-N	0	3	436.560	2.946	1	0		IFAFHN
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)n1nc(C)c2sc3ccccc3c2c1=O	ZINC000022938960	563026700	/nfs/dbraw/zinc/02/67/00/563026700.db2.gz	ASVLUQXSPOMHBT-SFHVURJKSA-N	0	3	441.601	2.624	3	0		IFAFHN
O=C(NCCN1CCCCC1)c1ccc2c(c1)[nH]c(=O)n(Cc1ccccc1Cl)c2=O	ZINC000028641680	563060420	/nfs/dbraw/zinc/06/04/20/563060420.db2.gz	FIJJTIJVCAYUQE-UHFFFAOYSA-N	0	3	440.931	2.607	1	0		IFAFHN
CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)c4ccccc4)cc(c32)C1=O	ZINC000028712244	563062907	/nfs/dbraw/zinc/06/29/07/563062907.db2.gz	VTCWMPJVALJCOG-UHFFFAOYSA-N	0	3	430.464	2.959	1	0		IFAFHN
O=C(COc1ccc(OCCNC[C@@H](O)COc2ccccc2F)cc1)N1CCCCC1	ZINC000029469048	563080471	/nfs/dbraw/zinc/08/04/71/563080471.db2.gz	BGHXUZDKGBCOKT-LJQANCHMSA-N	0	3	446.519	2.625	1	0		IFAFHN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000031841835	563083559	/nfs/dbraw/zinc/08/35/59/563083559.db2.gz	OYBNRGPAHVIWIV-MYDCNYLUSA-N	0	3	427.453	2.676	1	0		IFAFHN
COc1cccc2c1[C@@H]1CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)C[C@@H]1C2	ZINC000036187737	563091815	/nfs/dbraw/zinc/09/18/15/563091815.db2.gz	KAOMAOPHBDZGKV-ZWKOTPCHSA-N	0	3	426.538	2.892	1	0		IFAFHN
CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CNC3CC3)cc2)cc1	ZINC000036349160	563093143	/nfs/dbraw/zinc/09/31/43/563093143.db2.gz	OWKFFYGORBBHDJ-UHFFFAOYSA-N	0	3	438.557	2.576	1	0		IFAFHN
NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1	ZINC000038751651	563098265	/nfs/dbraw/zinc/09/82/65/563098265.db2.gz	XCBCSNKDPXVPNA-KRWDZBQOSA-N	0	3	447.919	2.746	1	0		IFAFHN
CCN(CCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccnc1	ZINC000040392975	563100099	/nfs/dbraw/zinc/10/00/99/563100099.db2.gz	MUHPGBUAPKBBKF-UHFFFAOYSA-N	0	3	433.965	2.996	1	0		IFAFHN
O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc2nonc2c1	ZINC000040863627	563108464	/nfs/dbraw/zinc/10/84/64/563108464.db2.gz	BCWFLMWROQYMGK-UHFFFAOYSA-N	0	3	441.507	2.903	1	0		IFAFHN
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](N)Cc2ccccc2)cc1	ZINC000040917368	563111542	/nfs/dbraw/zinc/11/15/42/563111542.db2.gz	QVIYUDWHNWBAQX-VWNXMTODSA-N	0	3	431.536	2.723	1	0		IFAFHN
CN(C)CCN(C)C(=O)c1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2	ZINC000040934593	563112481	/nfs/dbraw/zinc/11/24/81/563112481.db2.gz	WFPIXXHOAALQOF-FQEVSTJZSA-N	0	3	447.539	2.900	1	0		IFAFHN
CN(C)Cc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cn[nH]c3)s1)n2CC(C)(C)O	ZINC000040955558	563114678	/nfs/dbraw/zinc/11/46/78/563114678.db2.gz	CFAYMFXAARPSEQ-UHFFFAOYSA-N	0	3	438.557	3.573	1	0		IFAFHN
N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)c1ccccc1)Cc1cccc(Cl)c1	ZINC000043069119	563117998	/nfs/dbraw/zinc/11/79/98/563117998.db2.gz	CIYSGOBBUFBQIH-MOPGFXCFSA-N	0	3	435.977	2.569	1	0		IFAFHN
Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)[C@@H]2CCOC2)c2cccc(F)c2)CC1	ZINC000049050820	563136888	/nfs/dbraw/zinc/13/68/88/563136888.db2.gz	HMDFNHCNLXLHGK-KNQAVFIVSA-N	0	3	429.540	2.955	1	0		IFAFHN
COc1cccc2c1CN[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)C2	ZINC000058568625	563144562	/nfs/dbraw/zinc/14/45/62/563144562.db2.gz	AMNIVLUAYOFKBK-NRFANRHFSA-N	0	3	435.528	2.679	1	0		IFAFHN
Cc1cc2ccccc2nc1N1CCN(CCCCc2nc3c(c(=O)n2N)CCCC3)CC1	ZINC000059855925	563146840	/nfs/dbraw/zinc/14/68/40/563146840.db2.gz	LZVLTVPNYIRFTB-UHFFFAOYSA-N	0	3	446.599	2.837	1	0		IFAFHN
C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2cc(-c3cccc(F)c3)ccc2S1(=O)=O	ZINC000061922564	563149477	/nfs/dbraw/zinc/14/94/77/563149477.db2.gz	VBUQNWSPMHSMRJ-CKJXQJPGSA-N	0	3	436.549	2.823	3	0		IFAFHN
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2ccccc2c1=O	ZINC000064454330	563153680	/nfs/dbraw/zinc/15/36/80/563153680.db2.gz	GTIKAAJNYPWELX-UHFFFAOYSA-N	0	3	428.540	2.803	1	0		IFAFHN
CC(C)N1CCN(C(=O)c2ccc3c(CN4CCCCC4)cn(S(C)(=O)=O)c3c2)CC1	ZINC000064528203	563154778	/nfs/dbraw/zinc/15/47/78/563154778.db2.gz	GHFVTTNBOLMPRU-UHFFFAOYSA-N	0	3	446.617	2.601	1	0		IFAFHN
CNCc1cn(CC(=O)Nc2sc3c(c2C(=O)NC)CCCC3)nc1C(F)(F)F	ZINC000064549529	563155694	/nfs/dbraw/zinc/15/56/94/563155694.db2.gz	YROXVKHBKVGRAL-UHFFFAOYSA-N	0	3	429.468	2.560	1	0		IFAFHN
C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)C(F)(F)F)CC2)cc1	ZINC000084712836	563177654	/nfs/dbraw/zinc/17/76/54/563177654.db2.gz	NZVJHOMPLGFESX-QGZVFWFLSA-N	0	3	441.494	2.829	1	0		IFAFHN
COc1ccc(-c2cc(NC(=O)[C@H](C)CCCN3CCCN(C(C)=O)CC3)n[nH]2)cc1	ZINC000084731712	563178642	/nfs/dbraw/zinc/17/86/42/563178642.db2.gz	KELGFUJORMNBDM-QGZVFWFLSA-N	0	3	427.549	2.994	1	0		IFAFHN
Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCCN2)sc1CCO	ZINC000084757164	563179451	/nfs/dbraw/zinc/17/94/51/563179451.db2.gz	CXKXTRRHRJSSBG-RDJZCZTQSA-N	0	3	436.965	2.578	1	0	in-vitro	IFAFHN
NC1(C(=O)N[C@@H](CCCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1	ZINC000095585034	563188713	/nfs/dbraw/zinc/18/87/13/563188713.db2.gz	LDSYQXFMCPTTQM-SFHVURJKSA-N	0	3	442.951	2.539	1	0		IFAFHN
CCc1nn(CC(=O)NCCCN2CCc3ccccc3C2)c(=O)c2cc3sccc3n21	ZINC000006577938	562947966	/nfs/dbraw/zinc/94/79/66/562947966.db2.gz	QXBMAEJNVVWELD-UHFFFAOYSA-N	0	3	449.580	2.838	3	0		IFAFHN
C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1	ZINC000009211088	562968230	/nfs/dbraw/zinc/96/82/30/562968230.db2.gz	IQKDBWIOLOWPQY-RTBURBONSA-N	0	3	439.608	2.760	3	0		IFAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)C(C)(C)C	ZINC000013581842	562994661	/nfs/dbraw/zinc/99/46/61/562994661.db2.gz	VKAWYUDNOUEXGC-ORYQWCPZSA-N	0	3	438.572	2.908	1	0		IFAFHN
CONC(=O)CC1c2ccccc2C(=O)N(Cc2ccc(Br)cc2F)C1=O	ZINC000013601434	562996827	/nfs/dbraw/zinc/99/68/27/562996827.db2.gz	RBXOGOXBJKSYMH-HNNXBMFYSA-N	0	3	435.249	2.922	1	0		IFAFHN
O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1	ZINC000013603578	562997062	/nfs/dbraw/zinc/99/70/62/562997062.db2.gz	MMUQVFDMUDOFSH-DQMBVKLJSA-N	0	3	427.282	2.850	1	0		IFAFHN
COc1cc(N)c(C(=O)NCCN2C[C@@H]3CCc4c(OC)cccc4[C@@H]3C2)cc1OC	ZINC000013863045	563013184	/nfs/dbraw/zinc/01/31/84/563013184.db2.gz	RLJXOVFXQJQZMU-HNAYVOBHSA-N	0	3	425.529	2.686	1	0		IFAFHN
Clc1ccc(N2CCN(c3nc(-c4ccccc4)nc(N4CCNCC4)n3)CC2)cc1	ZINC000028012377	563049785	/nfs/dbraw/zinc/04/97/85/563049785.db2.gz	YRDQFPRQQBZAHN-UHFFFAOYSA-N	0	3	435.963	2.928	1	0		IFAFHN
COc1ccc([C@H]2CN(C)Cc3cc(OCCCN4CCS(=O)(=O)CC4)ccc32)cc1	ZINC000028818064	563064769	/nfs/dbraw/zinc/06/47/69/563064769.db2.gz	JXLGDCHDFPYUFA-XMMPIXPASA-N	0	3	444.597	2.772	1	0		IFAFHN
Cc1ccc(C(=O)N2C[C@H]3CNC[C@@H](C2)O3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2	ZINC000028826011	563066439	/nfs/dbraw/zinc/06/64/39/563066439.db2.gz	ZXXHOPIILTVLIT-GJXYPHGBSA-N	0	3	437.584	2.754	1	0		IFAFHN
CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1	ZINC000040897834	563110660	/nfs/dbraw/zinc/11/06/60/563110660.db2.gz	AYYVLQZMTIGZEW-MLCQCVOFSA-N	0	3	434.584	2.741	1	0		IFAFHN
CN(C)CCNC(=O)c1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2	ZINC000040919112	563112034	/nfs/dbraw/zinc/11/20/34/563112034.db2.gz	WDXLEIFOYAQNAO-IBGZPJMESA-N	0	3	433.512	2.558	1	0		IFAFHN
COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@@H](CNCc4ccc(F)cc4)C3)c2n1	ZINC000045189626	563123366	/nfs/dbraw/zinc/12/33/66/563123366.db2.gz	ZCRKXKQXVMKXII-HRAATJIYSA-N	0	3	428.483	2.542	1	0		IFAFHN
COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)NC2	ZINC000058590504	563145374	/nfs/dbraw/zinc/14/53/74/563145374.db2.gz	JPIZMTCZKMZLDC-QFIPXVFZSA-N	0	3	435.528	2.679	1	0		IFAFHN
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cnn(CC(C)(C)C)c2)CC1	ZINC000060326916	563146988	/nfs/dbraw/zinc/14/69/88/563146988.db2.gz	VGPRQBUXKLBDJH-LEWJYISDSA-N	0	3	434.531	2.894	1	0		IFAFHN
CC(C)OC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000072142593	563164839	/nfs/dbraw/zinc/16/48/39/563164839.db2.gz	QQPFNMLAUPNANB-QOFIPBISSA-N	0	3	427.497	2.744	1	0		IFAFHN
CN(CCN1CCCC1)C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1	ZINC000095572730	563184858	/nfs/dbraw/zinc/18/48/58/563184858.db2.gz	RNHDXBMZVDVMKB-UHFFFAOYSA-N	0	3	429.590	2.986	1	0		IFAFHN
COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(Cc4ccccc4O3)CC2)c1	ZINC000095592588	563190560	/nfs/dbraw/zinc/19/05/60/563190560.db2.gz	VNNNTNKEXAIYHX-IBGZPJMESA-N	0	3	425.529	2.829	1	0		IFAFHN
C[C@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1	ZINC000006577215	562947498	/nfs/dbraw/zinc/94/74/98/562947498.db2.gz	LTXDLEZXAPESAY-SFHVURJKSA-N	0	3	444.601	2.626	3	0		IFAFHN
COc1cc(CN2CCC3(CC[C@@H](CNC(=O)c4cc(C)nn4C)O3)CC2)ccc1F	ZINC000011995362	562980209	/nfs/dbraw/zinc/98/02/09/562980209.db2.gz	GHUQMODOUNASHU-SFHVURJKSA-N	0	3	430.524	2.820	1	0		IFAFHN
O=C1NC(=O)[C@@](Cc2ccccc2)(C2CCN(Cc3cccn3-c3cccnc3)CC2)N1	ZINC000012047475	562980546	/nfs/dbraw/zinc/98/05/46/562980546.db2.gz	DDNPBWCARZPIIL-RUZDIDTESA-N	0	3	429.524	2.905	1	0		IFAFHN
COc1ccccc1N1CCN(CCCCCCn2nc(-n3ccnc3)ccc2=O)CC1	ZINC000013475442	562988899	/nfs/dbraw/zinc/98/88/99/562988899.db2.gz	CNLNDWDYGMPWTL-UHFFFAOYSA-N	0	3	436.560	2.820	1	0		IFAFHN
OCCN1CCN=C1c1ccc(-c2ccc(-c3ccc(C4=NCCN4CCO)cc3)o2)cc1	ZINC000013602502	562996968	/nfs/dbraw/zinc/99/69/68/562996968.db2.gz	MPHIQIHLCFLKQR-UHFFFAOYSA-N	0	3	444.535	2.723	1	0		IFAFHN
C[C@@H]1CN(c2cccc3ccccc32)CCN1CCCCN1CC(=O)N2CCC[C@@H]2C1=O	ZINC000013642261	562998535	/nfs/dbraw/zinc/99/85/35/562998535.db2.gz	IPDAZPXSBHMPGF-HYBUGGRVSA-N	0	3	434.584	2.964	1	0		IFAFHN
CCN1C(=O)N(CC(N)=O)C(=O)C12CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2	ZINC000014540558	563014566	/nfs/dbraw/zinc/01/45/66/563014566.db2.gz	FEDSDZFNIRNMGB-UHFFFAOYSA-N	0	3	449.555	2.559	1	0		IFAFHN
C[C@H](O)c1c(O)nc2n1Cc1cc(OCCCC(=O)N(C)C3CCCCC3)ccc1N2	ZINC000026952351	563038145	/nfs/dbraw/zinc/03/81/45/563038145.db2.gz	HCBHJNHOGXHCLR-BTYIYWSLSA-N	0	3	428.533	2.510	1	0		IFAFHN
C[C@H](O)C1C(=O)N=C2Nc3ccc(OCCCC(=O)N(C)C4CCCCC4)cc3CN21	ZINC000026952351	563038146	/nfs/dbraw/zinc/03/81/46/563038146.db2.gz	HCBHJNHOGXHCLR-BTYIYWSLSA-N	0	3	428.533	2.510	1	0		IFAFHN
CN(C(=O)Cc1ccccc1CNS(C)(=O)=O)[C@H](CN1CCCC1)c1ccccc1	ZINC000028474816	563055644	/nfs/dbraw/zinc/05/56/44/563055644.db2.gz	PFHDARYVMUYSDL-JOCHJYFZSA-N	0	3	429.586	2.574	1	0		IFAFHN
CN1CCN(CNC(=O)c2[nH]nc3c2C[C@@H]2[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]32C)CC1	ZINC000028528605	563057148	/nfs/dbraw/zinc/05/71/48/563057148.db2.gz	RKHKHZBNBPXUKB-AIFZUELHSA-N	0	3	449.599	2.620	1	0		IFAFHN
O=C1OC2(CN1CCc1ccccc1)CCN(C[C@H](O)[C@@H]1COc3ccccc3O1)CC2	ZINC000028760208	563063666	/nfs/dbraw/zinc/06/36/66/563063666.db2.gz	LOYRSOQYTOZOEV-REWPJTCUSA-N	0	3	438.524	2.717	1	0		IFAFHN
Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)CC1	ZINC000029222492	563076816	/nfs/dbraw/zinc/07/68/16/563076816.db2.gz	QQAGKFNEBOHJEO-JOCHJYFZSA-N	0	3	447.583	2.590	1	0		IFAFHN
O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1	ZINC000033363003	563084406	/nfs/dbraw/zinc/08/44/06/563084406.db2.gz	WHTIKEJXRIIBPS-QGZVFWFLSA-N	0	3	425.620	2.626	3	0		IFAFHN
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)[C@H]1C[C@@H]1c1ccccc1	ZINC000040409014	563101538	/nfs/dbraw/zinc/10/15/38/563101538.db2.gz	HAIBVYFFPCOBAR-PMOQBDJRSA-N	0	3	432.568	2.723	1	0		IFAFHN
CCCC1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(Cl)cc2)S(=O)(=O)N1C	ZINC000040877869	563109595	/nfs/dbraw/zinc/10/95/95/563109595.db2.gz	AITWOGXCAJAHPU-LSDHHAIUSA-N	0	3	434.967	2.899	1	0		IFAFHN
CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCN(C)C)CC3)oc(=O)c12	ZINC000043064738	563117801	/nfs/dbraw/zinc/11/78/01/563117801.db2.gz	VLFQECXKIODJJS-UHFFFAOYSA-N	0	3	437.544	2.505	1	0		IFAFHN
Cn1c(=O)cc(NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)n(C)c1=O	ZINC000043069865	563118031	/nfs/dbraw/zinc/11/80/31/563118031.db2.gz	MMXKXXGRZUAQGP-UHFFFAOYSA-N	0	3	441.359	2.736	1	0		IFAFHN
N[C@@H](CC(=O)N1CCC[C@H]1c1ncn(-c2ccccn2)n1)Cc1cc(F)c(F)cc1F	ZINC000045252949	563126760	/nfs/dbraw/zinc/12/67/60/563126760.db2.gz	BWJNQFMUCOKOSY-KDOFPFPSSA-N	0	3	430.434	2.703	1	0		IFAFHN
COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)CN(C(=O)[C@@H](C)N)C2(C)C)c1	ZINC000045260086	563127665	/nfs/dbraw/zinc/12/76/65/563127665.db2.gz	XHBFICJERBKPGW-JKSUJKDBSA-N	0	3	427.549	2.578	1	0		IFAFHN
CCN(C[C@@H](C)NC(=O)OCc1nccs1)C[C@H](C)NC(=O)OCc1cncs1	ZINC000049032599	563135855	/nfs/dbraw/zinc/13/58/55/563135855.db2.gz	QURAXYQDHTYNMN-UONOGXRCSA-N	0	3	441.579	2.851	1	0		IFAFHN
CCN1C(=O)[C@H]2[C@@H](c3ccccc3)N[C@]3(CCCN(Cc4ccc(C)cc4)C3=O)[C@H]2C1=O	ZINC000061921256	563149240	/nfs/dbraw/zinc/14/92/40/563149240.db2.gz	KBFCLXVLFIDOQF-PIXQIBFHSA-N	0	3	431.536	2.822	3	0		IFAFHN
CCN1C(=O)[C@H]2[C@@H](c3ccc(C)cc3)N[C@]3(CCCN(Cc4ccc(F)cc4)C3=O)[C@H]2C1=O	ZINC000061921231	563149246	/nfs/dbraw/zinc/14/92/46/563149246.db2.gz	DYLGGQSGNMFOKR-PIXQIBFHSA-N	0	3	449.526	2.961	3	0		IFAFHN
CCN1CCN(CCCC(=O)Nc2nnc3[n-][nH+]c(-c4cccc(F)c4F)cc2-3)CC1	ZINC000063298561	563152280	/nfs/dbraw/zinc/15/22/80/563152280.db2.gz	YRVHWCZERXVDLL-UHFFFAOYSA-N	0	3	429.475	2.654	1	0		IFAFHN
C[C@@H]1CCc2nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c2C1	ZINC000064448975	563153517	/nfs/dbraw/zinc/15/35/17/563153517.db2.gz	GERBCOZLRREKHD-LJQANCHMSA-N	0	3	446.599	2.775	1	0		IFAFHN
CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(N[C@H](CO)c4ccccc4)c32)C1	ZINC000064526978	563154409	/nfs/dbraw/zinc/15/44/09/563154409.db2.gz	WTHITBDGABQSRK-AHKGRUIUSA-N	0	3	437.569	2.839	1	0		IFAFHN
O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CC[C@H](O)C2)c1	ZINC000064540006	563155184	/nfs/dbraw/zinc/15/51/84/563155184.db2.gz	DZPCZIBGZIYEKK-QFIPXVFZSA-N	0	3	430.508	2.833	1	0		IFAFHN
CC(C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc21)C(C)C	ZINC000064708251	563156701	/nfs/dbraw/zinc/15/67/01/563156701.db2.gz	VDIBIPHTPTVXHO-FKBYEOEOSA-N	0	3	438.572	2.893	1	0		IFAFHN
N[C@@H](CC(=O)N1CCn2nnc(-c3ccc(F)cc3)c2C1)Cc1cc(F)c(F)cc1F	ZINC000066073781	563157286	/nfs/dbraw/zinc/15/72/86/563157286.db2.gz	ARQBLIKEBTXMSP-OAHLLOKOSA-N	0	3	433.409	2.804	1	0		IFAFHN
C[C@H](CN1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1	ZINC000072136618	563164168	/nfs/dbraw/zinc/16/41/68/563164168.db2.gz	MWKBJPMDIRQKGV-QGZVFWFLSA-N	0	3	449.530	2.854	1	0		IFAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2F)C1)C1CCCCC1	ZINC000073199125	563170192	/nfs/dbraw/zinc/17/01/92/563170192.db2.gz	DWCMJOABGJQOPI-HARLFGEKSA-N	0	3	446.611	2.622	1	0		IFAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2cccc(F)c2)C1)C1CCCCC1	ZINC000073199770	563170260	/nfs/dbraw/zinc/17/02/60/563170260.db2.gz	FVHUOYRFKRONMN-TZYHBYERSA-N	0	3	446.611	2.622	1	0		IFAFHN
Cc1ccc(N2CCN(CCC(=O)N3c4ccccc4C[C@@H]3C(=O)N(C)C)CC2)c(C)c1	ZINC000084724665	563178137	/nfs/dbraw/zinc/17/81/37/563178137.db2.gz	SXOCYRUBUXCPRX-XMMPIXPASA-N	0	3	434.584	2.862	1	0		IFAFHN
Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCCN2)sc1CCO	ZINC000084757161	563179434	/nfs/dbraw/zinc/17/94/34/563179434.db2.gz	CXKXTRRHRJSSBG-DOTOQJQBSA-N	0	3	436.965	2.578	1	0		IFAFHN
COCC[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc32)CC1)c1ccc(Cl)cc1	ZINC000095581933	563187754	/nfs/dbraw/zinc/18/77/54/563187754.db2.gz	IDQNLUQAYNKBEW-SFHVURJKSA-N	0	3	442.951	2.803	1	0		IFAFHN
COc1cc(O)c([C@H](CC(=O)N2C[C@@H](C)N[C@@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1	ZINC000095583182	563188201	/nfs/dbraw/zinc/18/82/01/563188201.db2.gz	JGDWVGFEVPRTJH-RVKKMQEKSA-N	0	3	442.512	2.869	1	0		IFAFHN
COc1ccc(NC(C)=O)c(OC[C@@H](N)CN2CCC3(Cc4cc(F)ccc4O3)CC2)c1	ZINC000095590616	563190091	/nfs/dbraw/zinc/19/00/91/563190091.db2.gz	VJDQUMOMMQQPTR-IBGZPJMESA-N	0	3	443.519	2.969	1	0		IFAFHN
CONC(=O)CC1c2ccccc2C(=O)N(Cc2ccc(Br)cc2F)C1=O	ZINC000013601436	562996813	/nfs/dbraw/zinc/99/68/13/562996813.db2.gz	RBXOGOXBJKSYMH-OAHLLOKOSA-N	0	3	435.249	2.922	1	0		IFAFHN
COCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	ZINC000013641602	562998413	/nfs/dbraw/zinc/99/84/13/562998413.db2.gz	CLCIDUAROLLJIR-UHFFFAOYSA-N	0	3	435.532	2.601	1	0		IFAFHN
NC(=[NH2+])N1CCc2ccc(OCC3CCN(c4ccncc4CCC(=O)[O-])CC3)cc2C1	ZINC000013644383	562998654	/nfs/dbraw/zinc/99/86/54/562998654.db2.gz	FDZAXSSJRTXJLF-UHFFFAOYSA-N	0	3	437.544	2.646	1	0		IFAFHN
O=C1[C@@H]2Oc3c4c(ccc3O)C[C@H]3N(CC5CC5)CC[C@]42[C@@]3(O)C[C@@H]1Cc1ccccc1	ZINC000013734635	563002143	/nfs/dbraw/zinc/00/21/43/563002143.db2.gz	ZLMLSUIQTYFLKF-XKVUGNILSA-N	0	3	431.532	2.994	1	0		IFAFHN
NS(=O)(=O)c1cc(NCCNC[C@@H](O)COc2cccc3ccccc32)ccc1Cl	ZINC000013861217	563012731	/nfs/dbraw/zinc/01/27/31/563012731.db2.gz	NUPOPPYKLMMBNH-QGZVFWFLSA-N	0	3	449.960	2.582	1	0		IFAFHN
OCCN1CCN(Cc2ccc3c(c2)CN(Cc2cccc4ncccc24)CCO3)CC1	ZINC000019740749	563022850	/nfs/dbraw/zinc/02/28/50/563022850.db2.gz	LIBJZOHGWMUCFJ-UHFFFAOYSA-N	0	3	432.568	2.739	1	0		IFAFHN
O=C(NCCNC[C@H](O)COc1cccc2ccccc21)c1ccc(-n2ccnc2)cc1	ZINC000026734301	563036073	/nfs/dbraw/zinc/03/60/73/563036073.db2.gz	ZXVYBVNQYMWTEB-QFIPXVFZSA-N	0	3	430.508	2.785	1	0		IFAFHN
COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cc1N1CCNCC1	ZINC000027656759	563045359	/nfs/dbraw/zinc/04/53/59/563045359.db2.gz	RJIYNRXLZPCZPV-UHFFFAOYSA-N	0	3	440.363	2.977	1	0		IFAFHN
CC(=O)Nc1ccc2c(c1)CC[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2	ZINC000028530088	563057443	/nfs/dbraw/zinc/05/74/43/563057443.db2.gz	UZNYQBPYWSEMLM-ZDXQCDESSA-N	0	3	437.540	2.605	1	0		IFAFHN
N=C(N)c1c(F)cc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN23)cc1F	ZINC000034480135	563086360	/nfs/dbraw/zinc/08/63/60/563086360.db2.gz	ZFDWMVFQODXKMG-LEAZDLGRSA-N	0	3	442.441	2.708	1	0		IFAFHN
O=C(O[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(CC1CC1)CC[C@]532)c1ccncc1	ZINC000040408160	563101570	/nfs/dbraw/zinc/10/15/70/563101570.db2.gz	OCESMZGTHPOBCE-RTOPKKFASA-N	0	3	446.503	2.785	1	0		IFAFHN
CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)OC[C@@H](CN2CCCCC2)O3)cs1	ZINC000040639468	563105708	/nfs/dbraw/zinc/10/57/08/563105708.db2.gz	RTFABBRCYOUZEP-OAHLLOKOSA-N	0	3	431.514	2.937	1	0		IFAFHN
C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCCCC2)c1	ZINC000040918179	563111808	/nfs/dbraw/zinc/11/18/08/563111808.db2.gz	NKOMRRKYMQHPBI-ZDUSSCGKSA-N	0	3	437.466	2.917	1	0		IFAFHN
CN(C)CCN(C)C(=O)c1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2	ZINC000040934595	563112483	/nfs/dbraw/zinc/11/24/83/563112483.db2.gz	WFPIXXHOAALQOF-HXUWFJFHSA-N	0	3	447.539	2.900	1	0		IFAFHN
CC(C)Oc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1	ZINC000040949481	563113715	/nfs/dbraw/zinc/11/37/15/563113715.db2.gz	ILMAXPRFLXLJED-UHFFFAOYSA-N	0	3	436.560	2.819	1	0	in-vitro	IFAFHN
COc1ccc2ncc(F)c(CCN3C[C@@H](CNCc4ccc(F)cc4)[C@H](O)C3)c2n1	ZINC000045189627	563123357	/nfs/dbraw/zinc/12/33/57/563123357.db2.gz	ZCRKXKQXVMKXII-IIBYNOLFSA-N	0	3	428.483	2.542	1	0		IFAFHN
N[C@@H](CC(=O)N1CCN2C(=O)N(Cc3ccccc3)C[C@H]2C1)Cc1cc(F)c(F)cc1F	ZINC000064448466	563153404	/nfs/dbraw/zinc/15/34/04/563153404.db2.gz	CHSIAXZHTOZJQO-QZTJIDSGSA-N	0	3	446.473	2.512	1	0		IFAFHN
N[C@@H](CC(=O)N1CCN2C(=O)N(Cc3ccccc3)C[C@@H]2C1)Cc1cc(F)c(F)cc1F	ZINC000064448465	563153425	/nfs/dbraw/zinc/15/34/25/563153425.db2.gz	CHSIAXZHTOZJQO-MSOLQXFVSA-N	0	3	446.473	2.512	1	0		IFAFHN
NC(=O)c1c2c(sc1NC(=O)Cn1cc(CNC3CC3)c(C(F)(F)F)n1)CCCC2	ZINC000064549153	563155636	/nfs/dbraw/zinc/15/56/36/563155636.db2.gz	JGHBPNBQOJRAQU-UHFFFAOYSA-N	0	3	441.479	2.832	1	0		IFAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1cccc2ccccc21)C(C)C)C(C)C	ZINC000064736959	563156750	/nfs/dbraw/zinc/15/67/50/563156750.db2.gz	ZLKBWOYLJUESSU-NDXORKPFSA-N	0	3	426.561	2.668	1	0		IFAFHN
NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn([C@H]3CCN(Cc4ccccc4)C3)cc1-2	ZINC000066079778	563157880	/nfs/dbraw/zinc/15/78/80/563157880.db2.gz	CMCAUNLIMUYFOJ-AWEZNQCLSA-N	0	3	436.541	2.747	1	0		IFAFHN
O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NCCCF)nn32)cc1F	ZINC000072142489	563164794	/nfs/dbraw/zinc/16/47/94/563164794.db2.gz	WCGKVUGNISNLJH-CABCVRRESA-N	0	3	432.450	2.737	1	0		IFAFHN
Cn1cnc(S(=O)(=O)[N-]Cc2ccc3c(c2)[C@H](Cc2cccc(F)c2)[C@H]([NH3+])CC3)c1	ZINC000088260844	563180206	/nfs/dbraw/zinc/18/02/06/563180206.db2.gz	IOCKKSQPNZXNKA-LEWJYISDSA-N	0	3	428.533	2.638	1	0		IFAFHN
Cc1cc2c(cc1Cl)NC(=O)[C@@]2(NC(=O)CN1CCNCC1)c1ccc(Cl)cc1	ZINC000095552024	563180759	/nfs/dbraw/zinc/18/07/59/563180759.db2.gz	HXHXBHMRQOWTPG-OAQYLSRUSA-N	0	3	433.339	2.519	1	0		IFAFHN
COc1ccc(S(=O)(=O)N2CCOc3ccc(F)cc32)cc1NC1CCN(C)CC1	ZINC000095578179	563186595	/nfs/dbraw/zinc/18/65/95/563186595.db2.gz	ZACWWOBBBUYFRN-UHFFFAOYSA-N	0	3	435.521	2.928	1	0		IFAFHN
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(F)cc1	ZINC000095581031	563187465	/nfs/dbraw/zinc/18/74/65/563187465.db2.gz	ASDFSRNMHPUURW-INIZCTEOSA-N	0	3	428.483	2.512	1	0		IFAFHN
CN(C)C/C=C/C(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)c1	ZINC000096933691	563199123	/nfs/dbraw/zinc/19/91/23/563199123.db2.gz	DYLDTESCOKKPMG-KPKJPENVSA-N	0	3	441.495	2.976	1	0		IFAFHN
Cc1c2c(nn1-c1ccc(C)cc1)c(N1CCC[C@@H](C(=O)NCCN(C)C)C1)nnc2C	ZINC000009224403	132309800	/nfs/dbraw/zinc/30/98/00/132309800.db2.gz	YEMCDIRWIOOFOT-LJQANCHMSA-N	0	3	435.576	2.635	1	0		IFAFHN
O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1	ZINC000004238487	562942825	/nfs/dbraw/zinc/94/28/25/562942825.db2.gz	FFHFOLPQDRCDSM-UHFFFAOYSA-N	0	3	440.551	2.624	1	0		IFAFHN
COc1ccc2nccc(N3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1	ZINC000006716196	562948264	/nfs/dbraw/zinc/94/82/64/562948264.db2.gz	FJJRARSJHITRGH-UHFFFAOYSA-N	0	3	436.541	2.836	1	0		IFAFHN
Nc1nc(NC[C@H]2CCCN2Cc2ccc3ccccc3n2)nc2nc(-c3ccco3)nn21	ZINC000013612554	562998068	/nfs/dbraw/zinc/99/80/68/562998068.db2.gz	KTNLMRCAYVJMLL-QGZVFWFLSA-N	0	3	441.499	2.986	1	0		IFAFHN
CCOCc1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O	ZINC000013641606	562998401	/nfs/dbraw/zinc/99/84/01/562998401.db2.gz	NYJGMCHMTZCYSK-UHFFFAOYSA-N	0	3	449.559	2.991	1	0		IFAFHN
NC(=[NH2+])N1CCc2ccc(SCC3(C(=O)[O-])CCN(c4ccncc4)CC3)cc2C1	ZINC000013644409	562998675	/nfs/dbraw/zinc/99/86/75/562998675.db2.gz	OACBHALLIZRWHF-UHFFFAOYSA-N	0	3	425.558	2.797	1	0		IFAFHN
COc1ccc([C@H]2Cc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1	ZINC000013650819	562999120	/nfs/dbraw/zinc/99/91/20/562999120.db2.gz	KZFQZROXVIZCGV-GGAORHGYSA-N	0	3	426.513	2.870	1	0		IFAFHN
COc1cccc2c1[C@@H]1CCN(CCCN3C(=O)c4ccccc4S3(=O)=O)C[C@H]1C2	ZINC000013733331	563002026	/nfs/dbraw/zinc/00/20/26/563002026.db2.gz	KAOMAOPHBDZGKV-QZTJIDSGSA-N	0	3	426.538	2.892	1	0		IFAFHN
COc1ccccc1N1CCN(CCCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1	ZINC000013839393	563012313	/nfs/dbraw/zinc/01/23/13/563012313.db2.gz	RBLFCZAQJBFHEJ-UHFFFAOYSA-N	0	3	434.540	2.610	1	0		IFAFHN
Cc1ncnc2c1ncn2C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000026577306	563033865	/nfs/dbraw/zinc/03/38/65/563033865.db2.gz	DWFBKFNAOZTZMD-QHCPKHFHSA-N	0	3	442.567	2.903	1	0		IFAFHN
N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCc1c[nH]cn1)C(c1ccccc1)c1ccccc1	ZINC000028563537	563057732	/nfs/dbraw/zinc/05/77/32/563057732.db2.gz	YIMMYYIRSBUOIA-LADGPHEKSA-N	0	3	445.567	2.609	1	0		IFAFHN
N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCCc1cnc[nH]1)C(c1ccccc1)c1ccccc1	ZINC000028563537	563057734	/nfs/dbraw/zinc/05/77/34/563057734.db2.gz	YIMMYYIRSBUOIA-LADGPHEKSA-N	0	3	445.567	2.609	1	0		IFAFHN
COc1ccccc1OC[C@H](O)CN1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1	ZINC000028760261	563063720	/nfs/dbraw/zinc/06/37/20/563063720.db2.gz	QWUNCUSSEKJSLF-OAQYLSRUSA-N	0	3	440.540	2.964	1	0		IFAFHN
N[C@@H](CC(=O)N1CCn2c(nnc2-c2ccc(F)cc2F)C1)Cc1cc(F)ccc1F	ZINC000028820843	563065373	/nfs/dbraw/zinc/06/53/73/563065373.db2.gz	CPKSIOFLZDEMJS-OAHLLOKOSA-N	0	3	433.409	2.804	1	0		IFAFHN
CC(C)(C)CNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1	ZINC000029467177	563080428	/nfs/dbraw/zinc/08/04/28/563080428.db2.gz	ORAUEOLWORHFDT-IBGZPJMESA-N	0	3	430.545	2.636	1	0		IFAFHN
Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CCCNCC3)cc2)o1	ZINC000040420715	563102181	/nfs/dbraw/zinc/10/21/81/563102181.db2.gz	TXQVKRDQIDOKEO-FQEVSTJZSA-N	0	3	431.558	2.620	1	0		IFAFHN
CCN(C[C@H](C)NC(=O)OCc1cncs1)C[C@H](C)NC(=O)OCc1nccs1	ZINC000049033070	563135955	/nfs/dbraw/zinc/13/59/55/563135955.db2.gz	QURAXYQDHTYNMN-KBPBESRZSA-N	0	3	441.579	2.851	1	0		IFAFHN
COc1ccc([C@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@@]23CN(C)CCC3=O)cc1	ZINC000052565981	563140841	/nfs/dbraw/zinc/14/08/41/563140841.db2.gz	YTGRXMQPCKHSQT-CWMWJYQDSA-N	0	3	431.536	2.995	1	0		IFAFHN
CCNCc1cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F	ZINC000058650638	563145988	/nfs/dbraw/zinc/14/59/88/563145988.db2.gz	MEANENDBNRVQSP-UHFFFAOYSA-N	0	3	429.468	2.689	1	0	in-vivo	IFAFHN
C[C@H]1CCc2c(nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c2=O)C1	ZINC000059855006	563146782	/nfs/dbraw/zinc/14/67/82/563146782.db2.gz	FCQFXDREOPQEAF-IBGZPJMESA-N	0	3	446.599	2.775	1	0		IFAFHN
CN[C@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1cccc2ccccc21)C(C)C)C(C)C	ZINC000061925528	563149738	/nfs/dbraw/zinc/14/97/38/563149738.db2.gz	ZLKBWOYLJUESSU-CZAAIQMYSA-N	0	3	426.561	2.668	3	0		IFAFHN
CN[C@H](C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)Nc1cccc2ccccc21)C(C)C)C(C)C	ZINC000061925531	563149740	/nfs/dbraw/zinc/14/97/40/563149740.db2.gz	ZLKBWOYLJUESSU-MAODMQOUSA-N	0	3	426.561	2.668	3	0		IFAFHN
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O	ZINC000061947272	563151484	/nfs/dbraw/zinc/15/14/84/563151484.db2.gz	DUMMPNXJHGXDIJ-NJNPRVFISA-N	0	3	439.556	2.650	3	0		IFAFHN
CN1CCC(N2CCN([C@@H](c3nnnn3Cc3ccccc3)c3ccc(F)cc3)CC2)CC1	ZINC000062225036	563152196	/nfs/dbraw/zinc/15/21/96/563152196.db2.gz	SKMWDKKKIZNIEI-XMMPIXPASA-N	0	3	449.578	2.662	1	0		IFAFHN
C[C@@H](c1ccccc1)N1CCN(CCC(=O)N2c3ccccc3C[C@H]2C(=O)N(C)C)CC1	ZINC000084723755	563178000	/nfs/dbraw/zinc/17/80/00/563178000.db2.gz	YFJRHVMEDJHMGJ-RDPSFJRHSA-N	0	3	434.584	2.801	1	0		IFAFHN
O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1	ZINC000095875196	563194859	/nfs/dbraw/zinc/19/48/59/563194859.db2.gz	HHLDRMSRJWVWNH-JAXLGGSGSA-N	0	3	444.373	2.838	1	0		IFAFHN
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCNCC5)c4)nc23)cc1	ZINC000096169703	563195464	/nfs/dbraw/zinc/19/54/64/563195464.db2.gz	QZQNIZMXGYSGDX-UHFFFAOYSA-N	0	3	448.552	2.953	1	0		IFAFHN
COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N4CCNCC4)nc32)cc1	ZINC000004238649	536550375	/nfs/dbraw/zinc/55/03/75/536550375.db2.gz	LSPPYJQRFHUMCK-UHFFFAOYSA-N	0	3	448.914	2.914	1	0		IFAFHN
N[C@H](CC1CCCCC1)C(=O)N1[C@H](C(=O)NCCCc2c[nH]cn2)C[C@@H]2CCCC[C@@H]21	ZINC000004827732	562943651	/nfs/dbraw/zinc/94/36/51/562943651.db2.gz	JPGRYFAIZUKPJY-FKVLARQCSA-N	0	3	429.609	2.916	1	0		IFAFHN
N[C@H](CC1CCCCC1)C(=O)N1[C@H](C(=O)NCCCc2cnc[nH]2)C[C@@H]2CCCC[C@@H]21	ZINC000004827732	562943652	/nfs/dbraw/zinc/94/36/52/562943652.db2.gz	JPGRYFAIZUKPJY-FKVLARQCSA-N	0	3	429.609	2.916	1	0		IFAFHN
Oc1ccc(CCNc2nc(NCCCc3ccccc3)nc(N3CCNCC3)n2)cc1	ZINC000013492547	562990611	/nfs/dbraw/zinc/99/06/11/562990611.db2.gz	CHVWALVAKFEZLK-UHFFFAOYSA-N	0	3	433.560	2.686	1	0		IFAFHN
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc2ccccc2c1	ZINC000013557570	562993400	/nfs/dbraw/zinc/99/34/00/562993400.db2.gz	HBWBVHDTNJQRPV-GOTSBHOMSA-N	0	3	427.508	2.799	1	0		IFAFHN
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1	ZINC000013557570	562993402	/nfs/dbraw/zinc/99/34/02/562993402.db2.gz	HBWBVHDTNJQRPV-GOTSBHOMSA-N	0	3	427.508	2.799	1	0		IFAFHN
Cc1cccc2c1Oc1cc(Cl)ccc1[C@@H]2NC(=O)CCN1CCN(CCO)CC1	ZINC000019372647	563022685	/nfs/dbraw/zinc/02/26/85/563022685.db2.gz	PLXNZYLEZNYLHB-QFIPXVFZSA-N	0	3	429.948	2.960	1	0		IFAFHN
CCC(=O)Nc1ccc(OC[C@H](O)CNCCNC(=O)Nc2ccccc2)c(CC)c1	ZINC000027179288	563040136	/nfs/dbraw/zinc/04/01/36/563040136.db2.gz	YINYKPDTNSGVQC-HXUWFJFHSA-N	0	3	428.533	2.749	1	0		IFAFHN
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@@H](C)N)CC2	ZINC000027562414	563044327	/nfs/dbraw/zinc/04/43/27/563044327.db2.gz	XUBZHIGHIZTZPU-WBMJQRKESA-N	0	3	444.553	2.912	1	0		IFAFHN
Cc1c(Cl)nc(NC2Cc3ccccc3C2)c(=O)n1CC(=O)Nc1cccc(CN)c1	ZINC000028391257	563054349	/nfs/dbraw/zinc/05/43/49/563054349.db2.gz	OBMQOOSNFCFPBL-UHFFFAOYSA-N	0	3	437.931	2.882	1	0		IFAFHN
CC(=O)Nc1ccc2c(c1)CC[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2	ZINC000028530090	563057468	/nfs/dbraw/zinc/05/74/68/563057468.db2.gz	UZNYQBPYWSEMLM-WMTXJRDZSA-N	0	3	437.540	2.605	1	0		IFAFHN
O=C(NCCN1CCCCC1)c1ccc2c(c1)[nH]c(=O)n(Cc1ccc(Cl)cc1)c2=O	ZINC000028641682	563060415	/nfs/dbraw/zinc/06/04/15/563060415.db2.gz	BKSKSEWIBBBRSQ-UHFFFAOYSA-N	0	3	440.931	2.607	1	0	in-vivo	IFAFHN
CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(Br)cc43)cc2)CC1	ZINC000040423663	563102651	/nfs/dbraw/zinc/10/26/51/563102651.db2.gz	XSWYPCMJALBXBX-UYRXBGFRSA-N	0	3	441.329	2.924	1	0		IFAFHN
Cc1nnc(C)n1C1CCN(CC[C@H](NC(=O)[C@H]2CCOC2)c2cccc(F)c2)CC1	ZINC000049050824	563136863	/nfs/dbraw/zinc/13/68/63/563136863.db2.gz	HMDFNHCNLXLHGK-UGKGYDQZSA-N	0	3	429.540	2.955	1	0		IFAFHN
CN(CCCCOc1cccc(N)c1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000049112867	563138395	/nfs/dbraw/zinc/13/83/95/563138395.db2.gz	OUHIYTOGAIRJKT-JOCHJYFZSA-N	0	3	431.487	2.817	1	0		IFAFHN
Cc1cc(N2CCN(CCCCc3nc4c(c(=O)n3N)CCCC4)CC2)nc2ccccc12	ZINC000059854451	563146831	/nfs/dbraw/zinc/14/68/31/563146831.db2.gz	QZHACJCMCCGZRU-UHFFFAOYSA-N	0	3	446.599	2.837	1	0		IFAFHN
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CC1	ZINC000060326419	563146999	/nfs/dbraw/zinc/14/69/99/563146999.db2.gz	FJIMJPFTRLZRAJ-XZOQPEGZSA-N	0	3	440.494	2.838	1	0		IFAFHN
CSCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1	ZINC000072177710	563166100	/nfs/dbraw/zinc/16/61/00/563166100.db2.gz	BBCVPQMXAMCWDQ-CABCVRRESA-N	0	3	446.527	2.740	1	0		IFAFHN
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CN	ZINC000013553593	562992868	/nfs/dbraw/zinc/99/28/68/562992868.db2.gz	WWAIEGHGWBOXJL-UHFFFAOYSA-N	0	3	439.947	2.635	1	0		IFAFHN
O=C(NC[C@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1	ZINC000013673221	563000244	/nfs/dbraw/zinc/00/02/44/563000244.db2.gz	RCVMZVZBCGIKNQ-ZDUSSCGKSA-N	0	3	438.912	2.705	1	0		IFAFHN
CS(=O)(=O)Nc1ccc2c(c1)CCC1(CCN(CCc3ccc4nonc4c3)CC1)O2	ZINC000013728494	563001552	/nfs/dbraw/zinc/00/15/52/563001552.db2.gz	QUXYELQXDFVLQH-UHFFFAOYSA-N	0	3	442.541	2.997	1	0		IFAFHN
COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O	ZINC000028099768	563050514	/nfs/dbraw/zinc/05/05/14/563050514.db2.gz	PDRJBDSCLNHWKG-OXJNMPFZSA-N	0	3	449.507	2.559	1	0		IFAFHN
CN1CCN(CNC(=O)c2[nH]nc3c2C[C@@H]2[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]32C)CC1	ZINC000028528603	563057182	/nfs/dbraw/zinc/05/71/82/563057182.db2.gz	RKHKHZBNBPXUKB-GDLBMTQOSA-N	0	3	449.599	2.620	1	0		IFAFHN
Cc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)N)CC1	ZINC000028876769	563067639	/nfs/dbraw/zinc/06/76/39/563067639.db2.gz	YYNNPSZKUXRAEY-JOCHJYFZSA-N	0	3	436.600	2.889	1	0		IFAFHN
COc1ccc(CCN(C)CCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC	ZINC000029315135	563077618	/nfs/dbraw/zinc/07/76/18/563077618.db2.gz	NBNVWSSLVSFKAK-UHFFFAOYSA-N	0	3	442.556	2.823	1	0		IFAFHN
c1cc(N2CCOCC2)cc2nc(CCc3nc4cc(N5CCOCC5)ccc4[nH]3)[nH]c12	ZINC000029471174	563080594	/nfs/dbraw/zinc/08/05/94/563080594.db2.gz	WMIYFWZVURGBNO-UHFFFAOYSA-N	0	3	432.528	2.898	1	0		IFAFHN
c1cc(N2CCOCC2)cc2[nH]c(CCc3nc4cc(N5CCOCC5)ccc4[nH]3)nc12	ZINC000029471174	563080596	/nfs/dbraw/zinc/08/05/96/563080596.db2.gz	WMIYFWZVURGBNO-UHFFFAOYSA-N	0	3	432.528	2.898	1	0		IFAFHN
CN(C)c1cc2[nH]c(=O)c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c(N)c2cc1F	ZINC000040429734	563103330	/nfs/dbraw/zinc/10/33/30/563103330.db2.gz	FHBAYWUJAVGYJR-UHFFFAOYSA-N	0	3	435.507	2.611	1	0		IFAFHN
COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)CN(C(=O)[C@@H](C)N)C2(C)C)c1	ZINC000045260083	563127680	/nfs/dbraw/zinc/12/76/80/563127680.db2.gz	XHBFICJERBKPGW-HZPDHXFCSA-N	0	3	427.549	2.578	1	0		IFAFHN
CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4cc(Br)ccc43)cc2)CC1	ZINC000045484613	563134200	/nfs/dbraw/zinc/13/42/00/563134200.db2.gz	JMPJLJJURADMOT-UYRXBGFRSA-N	0	3	441.329	2.924	1	0		IFAFHN
CC(C)CC1C(=O)N(COC(=O)c2ccccc2O)S(=O)(=O)N1Cc1ccccc1	ZINC000058583806	563145327	/nfs/dbraw/zinc/14/53/27/563145327.db2.gz	GBGFMQPUVHQANX-SFHVURJKSA-N	0	3	432.498	2.510	1	0		IFAFHN
O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NCC4CC4)nn32)cc1F	ZINC000072177931	563166126	/nfs/dbraw/zinc/16/61/26/563166126.db2.gz	ZUWSKHFILZZICB-CVEARBPZSA-N	0	3	426.471	2.787	1	0		IFAFHN
Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)[C@@H]2CCCCN2)sc1CO	ZINC000084711510	563177508	/nfs/dbraw/zinc/17/75/08/563177508.db2.gz	DABZTAYFUWRJOD-HOCLYGCPSA-N	0	3	440.928	2.674	1	0		IFAFHN
COc1ccc(-c2cc(NC(=O)[C@@H](C)CCCN3CCCN(C(C)=O)CC3)n[nH]2)cc1	ZINC000084731708	563178627	/nfs/dbraw/zinc/17/86/27/563178627.db2.gz	KELGFUJORMNBDM-KRWDZBQOSA-N	0	3	427.549	2.994	1	0		IFAFHN
Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCCCN2)sc1CO	ZINC000084757983	563179514	/nfs/dbraw/zinc/17/95/14/563179514.db2.gz	PLCPYCCXJPMGGA-ZBFHGGJFSA-N	0	3	440.928	2.674	1	0		IFAFHN
COc1ccc([C@@H]2Cc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000013450543	562987198	/nfs/dbraw/zinc/98/71/98/562987198.db2.gz	KZFQZROXVIZCGV-JTHBVZDNSA-N	0	3	426.513	2.870	1	0		IFAFHN
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc21)C(C)(C)C	ZINC000013581840	562994697	/nfs/dbraw/zinc/99/46/97/562994697.db2.gz	OXDCBNXVEISFST-ORYQWCPZSA-N	0	3	438.572	2.908	1	0		IFAFHN
COc1ccc([C@H]2Cc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1	ZINC000013650817	562999048	/nfs/dbraw/zinc/99/90/48/562999048.db2.gz	KZFQZROXVIZCGV-FYYLOGMGSA-N	0	3	426.513	2.870	1	0		IFAFHN
COc1ccc([C@@H]2Cc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1	ZINC000013650818	562999074	/nfs/dbraw/zinc/99/90/74/562999074.db2.gz	KZFQZROXVIZCGV-GMAHTHKFSA-N	0	3	426.513	2.870	1	0		IFAFHN
CC[C@H](C(=O)NCCCN1CCN(C)CC1)n1nc(C)c2sc3ccccc3c2c1=O	ZINC000022938963	563026716	/nfs/dbraw/zinc/02/67/16/563026716.db2.gz	ASVLUQXSPOMHBT-GOSISDBHSA-N	0	3	441.601	2.624	3	0		IFAFHN
COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1N1CCNCC1	ZINC000027655400	563045312	/nfs/dbraw/zinc/04/53/12/563045312.db2.gz	CPLDXMDZVACQFX-UHFFFAOYSA-N	0	3	426.336	2.668	1	0		IFAFHN
CN(C(=O)Cc1cccc(CNS(C)(=O)=O)c1)[C@H](CN1CCCC1)c1ccccc1	ZINC000028473192	563055564	/nfs/dbraw/zinc/05/55/64/563055564.db2.gz	XFSTYCGZQPEHNM-JOCHJYFZSA-N	0	3	429.586	2.574	1	0		IFAFHN
CN(C(=O)Cc1ccc2c(c1)CN(S(C)(=O)=O)C2)[C@H](CN1CCCC1)c1ccccc1	ZINC000028473199	563055672	/nfs/dbraw/zinc/05/56/72/563055672.db2.gz	IOMBTJHDNAUCSO-HSZRJFAPSA-N	0	3	441.597	2.800	1	0		IFAFHN
O=C1OC2(CN1CCc1ccccc1)CCN(C[C@@H](O)[C@H]1COc3ccccc3O1)CC2	ZINC000028760214	563063656	/nfs/dbraw/zinc/06/36/56/563063656.db2.gz	LOYRSOQYTOZOEV-NFBKMPQASA-N	0	3	438.524	2.717	1	0		IFAFHN
COc1ccccc1OC[C@@H](O)CN1CCC2(CN(Cc3ccccc3)C(=O)O2)CC1	ZINC000028760033	563063716	/nfs/dbraw/zinc/06/37/16/563063716.db2.gz	ACKNJGHDCWEMBE-FQEVSTJZSA-N	0	3	426.513	2.922	1	0		IFAFHN
O=S(=O)(c1cccc2cccnc21)N1CCOc2c(N3CCNCC3)cc(Cl)cc21	ZINC000028948468	563069307	/nfs/dbraw/zinc/06/93/07/563069307.db2.gz	YHNQHTHMDONRLV-UHFFFAOYSA-N	0	3	444.944	2.886	1	0		IFAFHN
O=C(NCc1cccc(CNC(=O)OCCCc2cnc[nH]2)c1)OCCCc1cnc[nH]1	ZINC000036289069	563092596	/nfs/dbraw/zinc/09/25/96/563092596.db2.gz	ANTZCCLUSVYIOC-UHFFFAOYSA-N	0	3	440.504	2.851	1	0		IFAFHN
CCOC(=O)C(=O)Nc1nc(-c2ccc3c(c2)OC[C@H](CN2CCCCC2)O3)cs1	ZINC000040639466	563105748	/nfs/dbraw/zinc/10/57/48/563105748.db2.gz	RTFABBRCYOUZEP-HNNXBMFYSA-N	0	3	431.514	2.937	1	0		IFAFHN
O=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CC[C@H](O)C1)OCCO3	ZINC000058575726	563144862	/nfs/dbraw/zinc/14/48/62/563144862.db2.gz	LNHJTRONCOCBKZ-INIZCTEOSA-N	0	3	441.487	2.916	1	0		IFAFHN
Nn1c(CCCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(c1=O)CCCC2	ZINC000059854560	563146810	/nfs/dbraw/zinc/14/68/10/563146810.db2.gz	OPVPOKBFTBDGTR-UHFFFAOYSA-N	0	3	446.599	2.919	1	0		IFAFHN
Nn1c(=O)c2ccc(F)cc2nc1CCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000059854627	563146820	/nfs/dbraw/zinc/14/68/20/563146820.db2.gz	PWVBQEUMVVPFJT-UHFFFAOYSA-N	0	3	446.530	2.943	1	0		IFAFHN
COc1ccc([C@H]2N[C@]3(CCCN(CC4CCCCC4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1	ZINC000061921213	563149134	/nfs/dbraw/zinc/14/91/34/563149134.db2.gz	USGWRABDSFGDMU-QTDDQOEGSA-N	0	3	439.556	2.512	3	0		IFAFHN
Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C)cc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1	ZINC000061921246	563149223	/nfs/dbraw/zinc/14/92/23/563149223.db2.gz	NVPOPRDAIBBGKA-PIXQIBFHSA-N	0	3	431.536	2.740	3	0		IFAFHN
COc1cccc(CC(=O)NC2CCN(CCCN3C(=O)COc4ccccc43)CC2)c1	ZINC000064564501	563156390	/nfs/dbraw/zinc/15/63/90/563156390.db2.gz	PQBNTIOMKCBFPA-UHFFFAOYSA-N	0	3	437.540	2.634	1	0		IFAFHN
CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccco4)CC3)[C@@H](C)C2)c(Cl)c1	ZINC000066077166	563157687	/nfs/dbraw/zinc/15/76/87/563157687.db2.gz	NRFRORKKKVFRAC-INIZCTEOSA-N	0	3	431.968	2.863	1	0		IFAFHN
CC(C)CCNC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1	ZINC000095563355	563182921	/nfs/dbraw/zinc/18/29/21/563182921.db2.gz	OIPASSZLGANZOF-ZWKOTPCHSA-N	0	3	435.012	2.908	1	0	in-vitro	IFAFHN
CN1CCC(c2nn(-c3cnc4[nH]cc(C(=O)NC(C)(C)CO)c4n3)c3ccccc32)CC1	ZINC000095605298	563193950	/nfs/dbraw/zinc/19/39/50/563193950.db2.gz	IEQUBFCUKWRWSN-UHFFFAOYSA-N	0	3	447.543	2.607	1	0		IFAFHN