smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@]1(C)[C@@H]2CC(=O)[C@H]3[C@@H](C)/C(=C\C(=O)OCCN(C)C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O	ZINC000103580436	291340718	/nfs/dbraw/zinc/34/07/18/291340718.db2.gz	VSOOIUBBPUOYRM-PRNPQLQOSA-N	0	1	449.588	2.752	1	0	biogenic,in-vitro	IFAFMN
Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000006552016	562947287	/nfs/dbraw/zinc/94/72/87/562947287.db2.gz	FLKFEICGVCLZGI-HKBQPEDESA-N	0	1	441.597	2.771	3	0		IFAFMN
O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)N1CCN(c2ccccn2)CC1	ZINC000012303151	562981062	/nfs/dbraw/zinc/98/10/62/562981062.db2.gz	HKVRXIQMBXMMQI-SFHVURJKSA-N	0	1	436.560	2.663	3	0		IFAFMN
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(C)cc3)CC2)c1	ZINC000013703820	563001207	/nfs/dbraw/zinc/00/12/07/563001207.db2.gz	GDSVOHILVQPEJQ-UHFFFAOYSA-N	0	1	444.601	2.834	1	0		IFAFMN
COc1ccc(Br)c(O)c1C(=O)NCCN1CCN(c2ccccc2)CC1	ZINC000013761256	563005116	/nfs/dbraw/zinc/00/51/16/563005116.db2.gz	UTRNBIMBKRRKDH-UHFFFAOYSA-N	0	1	434.334	2.715	1	0		IFAFMN
Cc1cnc(NC[C@@H](C)c2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1	ZINC000013818854	563009693	/nfs/dbraw/zinc/00/96/93/563009693.db2.gz	KFINWBRPBCKOHE-MRXNPFEDSA-N	0	1	430.512	2.960	1	0		IFAFMN
COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCc4ccccc4)CC3)[C@H]1CO2	ZINC000026646298	563034495	/nfs/dbraw/zinc/03/44/95/563034495.db2.gz	AVVCHEPXGGYIRM-YKSBVNFPSA-N	0	1	437.540	2.676	1	0		IFAFMN
CCOC(=O)C(CC(=O)c1cccc(OC)c1)(NC(=O)C1CCCCC1)C(=O)OCC	ZINC000026657892	563034899	/nfs/dbraw/zinc/03/48/99/563034899.db2.gz	LUSVZWRCIIENDX-UHFFFAOYSA-N	0	1	433.501	2.830	1	0		IFAFMN
COc1cc(OC[C@@H](O)CN2CCN(c3ccc(C)c(C)c3)CC2)cc(OC)c1OC	ZINC000026750011	563036501	/nfs/dbraw/zinc/03/65/01/563036501.db2.gz	ACLTXLPIMJKDPC-FQEVSTJZSA-N	0	1	430.545	2.891	1	0		IFAFMN
CS(=O)(=O)Nc1cc([C@H](O)CN[C@@H](Cc2ccccc2)c2nccs2)ccc1O	ZINC000026830064	563037106	/nfs/dbraw/zinc/03/71/06/563037106.db2.gz	FEAIEGLSRLTACR-PKOBYXMFSA-N	0	1	433.555	2.827	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccncc2)ccc1O	ZINC000026830479	563037249	/nfs/dbraw/zinc/03/72/49/563037249.db2.gz	OSOPVAHQCXJRQE-DENIHFKCSA-N	0	1	427.526	2.766	1	0		IFAFMN
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CN)CC2	ZINC000027562475	563044341	/nfs/dbraw/zinc/04/43/41/563044341.db2.gz	YBJQOCXTEKZSRE-HNNXBMFYSA-N	0	1	430.526	2.524	1	0		IFAFMN
CCC(=O)N(c1ccccc1)C1(COC(=O)C(C)(C)C)CCN(CCn2ncnn2)CC1	ZINC000028017749	563049958	/nfs/dbraw/zinc/04/99/58/563049958.db2.gz	OSVCOZBTKGOSIN-UHFFFAOYSA-N	0	1	442.564	2.540	1	0		IFAFMN
Cc1ccc(S(=O)(=O)N2CCC(COc3cccc4nc(N)nc(N)c43)CC2)cc1	ZINC000028971841	563071245	/nfs/dbraw/zinc/07/12/45/563071245.db2.gz	JAPOALBHJHDMBQ-UHFFFAOYSA-N	0	1	427.530	2.582	1	0		IFAFMN
O=C(Nc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1	ZINC000040954059	563114382	/nfs/dbraw/zinc/11/43/82/563114382.db2.gz	GDDBKURUXLFLCG-UHFFFAOYSA-N	0	1	432.411	2.722	1	0		IFAFMN
COc1ccccc1N1CCN([C@H](C)CCN2C(=O)N[C@@H]3c4ccccc4N[C@H]3C2=O)CC1	ZINC000040979158	563115445	/nfs/dbraw/zinc/11/54/45/563115445.db2.gz	VQVKAYGUPIBMRC-NLSFWIRASA-N	0	1	449.555	2.683	1	0		IFAFMN
COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@@H](C)N(C(=O)CN)C2(C)C)c1	ZINC000045254550	563127033	/nfs/dbraw/zinc/12/70/33/563127033.db2.gz	AVXGQHVURUOTAB-JKSUJKDBSA-N	0	1	427.549	2.578	1	0		IFAFMN
CN(C)CCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1	ZINC000049051628	563136976	/nfs/dbraw/zinc/13/69/76/563136976.db2.gz	VOKVJALZAMIMIX-UHFFFAOYSA-N	0	1	429.571	2.887	1	0		IFAFMN
CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccnc4C(N)=O)n3)cc2)CC1	ZINC000052565717	563140746	/nfs/dbraw/zinc/14/07/46/563140746.db2.gz	XIZHCULZNXZKNY-UHFFFAOYSA-N	0	1	438.923	2.863	1	0		IFAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1cnc2ccccc2c1	ZINC000064286926	563152691	/nfs/dbraw/zinc/15/26/91/563152691.db2.gz	CAVWYRPALCSFGD-UHFFFAOYSA-N	0	1	447.514	2.532	1	0		IFAFMN
N[C@H](Cc1ccc(Br)cc1)C(=O)N1CCN(c2ncnc3ccccc32)CC1	ZINC000064540049	563155147	/nfs/dbraw/zinc/15/51/47/563155147.db2.gz	RKNMHEJTFILSBR-GOSISDBHSA-N	0	1	440.345	2.611	1	0		IFAFMN
COc1ccccc1N1CCN(C[C@H](O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1	ZINC000066136699	563159544	/nfs/dbraw/zinc/15/95/44/563159544.db2.gz	XUAZJBFALQHOFB-LJQANCHMSA-N	0	1	440.519	2.619	1	0		IFAFMN
COc1ccccc1N1CCN(C[C@@H](O)CCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1	ZINC000066136700	563159546	/nfs/dbraw/zinc/15/95/46/563159546.db2.gz	XUAZJBFALQHOFB-IBGZPJMESA-N	0	1	440.519	2.619	1	0		IFAFMN
COc1[nH]nc2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CCCF)c3F)cc21	ZINC000072182346	563167403	/nfs/dbraw/zinc/16/74/03/563167403.db2.gz	HIGLLCZSJYDPOR-UHFFFAOYSA-N	0	1	443.407	2.598	1	0		IFAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-c3cncs3)cc[nH]c1-2	ZINC000095597467	563191880	/nfs/dbraw/zinc/19/18/80/563191880.db2.gz	OJNAPCCMYKIIEC-UHFFFAOYSA-N	0	1	445.504	2.854	1	0		IFAFMN
C[C@H]1C[C@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1	ZINC000004196776	555975673	/nfs/dbraw/zinc/97/56/73/555975673.db2.gz	FTZRUURQZZDBSC-GJPSWQHZSA-N	0	1	435.889	2.814	1	0		IFAFMN
CCOc1cc(C)c(C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1	ZINC000013735517	563002319	/nfs/dbraw/zinc/00/23/19/563002319.db2.gz	UKGDJNNFSQINRB-XXBNENTESA-N	0	1	425.573	2.826	1	0		IFAFMN
CN(Cc1ccc2cc(F)ccc2n1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000026949055	563038137	/nfs/dbraw/zinc/03/81/37/563038137.db2.gz	SEZRREADYJVLBF-LJQANCHMSA-N	0	1	433.505	2.617	1	0		IFAFMN
CCc1nc(N)nc(NCCO)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000036349138	563093120	/nfs/dbraw/zinc/09/31/20/563093120.db2.gz	VSIYWZCDHWQCFF-UHFFFAOYSA-N	0	1	441.557	2.708	1	0		IFAFMN
Cc1cc(C(=O)N2CC(O)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O	ZINC000040891884	563109983	/nfs/dbraw/zinc/10/99/83/563109983.db2.gz	WGQJLWUFEODORK-SFHVURJKSA-N	0	1	430.888	2.854	1	0		IFAFMN
CN1CCN(c2ccc(Nc3ncc4c(n3)n(C3CCCC3)cc(C(N)=O)c4=O)cc2)CC1	ZINC000053050521	563140912	/nfs/dbraw/zinc/14/09/12/563140912.db2.gz	WHBVVZPDEFKMLP-UHFFFAOYSA-N	0	1	447.543	2.501	1	0		IFAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1cnc2ccccc2c1	ZINC000064491833	563153773	/nfs/dbraw/zinc/15/37/73/563153773.db2.gz	WSRKKOTYMZMVTM-UHFFFAOYSA-N	0	1	447.514	2.532	1	0		IFAFMN
O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)c(F)c1)N1CCNCC1	ZINC000072122729	563163982	/nfs/dbraw/zinc/16/39/82/563163982.db2.gz	ZEZGZTLWRQKVFN-UHFFFAOYSA-N	0	1	446.490	2.925	1	0		IFAFMN
CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F	ZINC000072179899	563166675	/nfs/dbraw/zinc/16/66/75/563166675.db2.gz	CZWXBVZEFYKNTB-UHFFFAOYSA-N	0	1	443.407	2.788	1	0		IFAFMN
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2OS(N)(=O)=O)OC(C)(C)CC4)cc1	ZINC000095536695	563180592	/nfs/dbraw/zinc/18/05/92/563180592.db2.gz	LCMDCNFZGCEBKI-UHFFFAOYSA-N	0	1	447.465	2.860	1	0		IFAFMN
COc1cc2ncnc(N3CCN[C@H](c4cc(OC)c(OC)c(OC)c4)C3)c2cc1OC	ZINC000096168412	563195312	/nfs/dbraw/zinc/19/53/12/563195312.db2.gz	MFURIWDPBUYKQD-KRWDZBQOSA-N	0	1	440.500	2.824	1	0		IFAFMN
O=C([O-])C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OCC(F)F)ccc1OCC(F)F	ZINC000021986324	527607426	/nfs/dbraw/zinc/60/74/26/527607426.db2.gz	LNOBWGIWSIHCBO-LBPRGKRZSA-N	0	1	436.402	2.643	2	0		IFAFMN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC[C@H]3C)c21	ZINC000002457164	562927862	/nfs/dbraw/zinc/92/78/62/562927862.db2.gz	YRWVSIJBSXXHIG-CYBMUJFWSA-N	0	1	444.395	2.511	3	0		IFAFMN
CC[C@H]1CCCCN1CCNC(=O)CCS(=O)(=O)c1ccc(Br)cc1	ZINC000008662540	562960327	/nfs/dbraw/zinc/96/03/27/562960327.db2.gz	XLQFAQQLUIJNFN-INIZCTEOSA-N	0	1	431.396	2.994	3	0		IFAFMN
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)C3CCCCC3)CC2)c1	ZINC000013703850	563001245	/nfs/dbraw/zinc/00/12/45/563001245.db2.gz	CDYPPCDOSCBLSH-UHFFFAOYSA-N	0	1	436.622	2.799	1	0		IFAFMN
CCOc1cc(C)c(C[C@@H](N)C(=O)N[C@H](C)C(=O)NCCCc2ccccc2)c(C)c1	ZINC000013735514	563002315	/nfs/dbraw/zinc/00/23/15/563002315.db2.gz	UKGDJNNFSQINRB-AUSIDOKSSA-N	0	1	425.573	2.826	1	0		IFAFMN
O=C(CCn1cncn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000015078821	563017582	/nfs/dbraw/zinc/01/75/82/563017582.db2.gz	UBHLPPZMBXQOIH-LJQANCHMSA-N	0	1	436.482	2.500	3	0		IFAFMN
C[C@@]1(O)CC(=O)O[C@@H](CS(=O)(=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1	ZINC000027442225	563042415	/nfs/dbraw/zinc/04/24/15/563042415.db2.gz	GTSQNBRCOPGGHW-VGSWGCGISA-N	0	1	426.494	2.974	1	0		IFAFMN
CN(CCn1c(=O)[nH]c2ccccc2c1=O)C[C@H]1CCc2c(c3ccccc3n2C)C1=O	ZINC000027738788	563046442	/nfs/dbraw/zinc/04/64/42/563046442.db2.gz	ISTQPZLQGMYCSA-MRXNPFEDSA-N	0	1	430.508	2.559	1	0		IFAFMN
COc1ccc(-c2nc(S(=O)(=O)CS(C)(=O)=O)[nH]c2-c2ccc(OC)cc2)cc1	ZINC000028219478	563051680	/nfs/dbraw/zinc/05/16/80/563051680.db2.gz	WBMRQEAORRIRPK-UHFFFAOYSA-N	0	1	436.511	2.537	1	0		IFAFMN
COc1ccc(Cl)cc1C(=O)NCNc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000028353313	563053284	/nfs/dbraw/zinc/05/32/84/563053284.db2.gz	ISOSXKIDULWGPR-UHFFFAOYSA-N	0	1	447.904	2.739	1	0		IFAFMN
Nc1nc(N)c2c(cccc2OCC2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1	ZINC000028971849	563071264	/nfs/dbraw/zinc/07/12/64/563071264.db2.gz	VFQBRQLPIVGUIQ-UHFFFAOYSA-N	0	1	449.483	2.552	1	0		IFAFMN
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@H](NC(=O)C(F)(F)F)CC2	ZINC000032292834	563084210	/nfs/dbraw/zinc/08/42/10/563084210.db2.gz	KPUQFELWTOHGSX-CQSZACIVSA-N	0	1	438.402	2.988	1	0		IFAFMN
C[C@@H]1CN(C(=O)C(=O)c2cnc3c(-c4ncco4)cc[nH]c2-3)CCN1C(=O)c1ccccc1	ZINC000034821171	563088167	/nfs/dbraw/zinc/08/81/67/563088167.db2.gz	JRWYJVICDAOUJV-OAHLLOKOSA-N	0	1	443.463	2.774	1	0		IFAFMN
CC(C)NC(=O)Cn1c(=O)c2cc(N3CCN(C)CC3)cn2cc1-c1cccc(Cl)c1	ZINC000058650434	563145990	/nfs/dbraw/zinc/14/59/90/563145990.db2.gz	AZICAVITRTWLBZ-UHFFFAOYSA-N	0	1	441.963	2.698	1	0		IFAFMN
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1OC	ZINC000072181634	563167332	/nfs/dbraw/zinc/16/73/32/563167332.db2.gz	IDJOBYVGWDAOFB-UHFFFAOYSA-N	0	1	437.453	2.518	1	0		IFAFMN
COc1ccc(-c2nc(CN3CCC(C(=O)N4CCOCC4)CC3)c(C)o2)cc1OC	ZINC000005043055	562943863	/nfs/dbraw/zinc/94/38/63/562943863.db2.gz	GSKUSCWGMPZHKN-UHFFFAOYSA-N	0	1	429.517	2.738	3	0		IFAFMN
Nc1cc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21	ZINC000013585803	562995082	/nfs/dbraw/zinc/99/50/82/562995082.db2.gz	KCBHYTGVXJMZQY-ROUUACIJSA-N	0	1	445.527	2.946	1	0		IFAFMN
CC(C)(O)[C@@H]1SCN(CCCCN2CCN(c3nsc4ccccc43)CC2)C1=O	ZINC000013759392	563004773	/nfs/dbraw/zinc/00/47/73/563004773.db2.gz	XKVRLBCGIKZDIN-GOSISDBHSA-N	0	1	434.631	2.871	1	0		IFAFMN
O=C1Nc2cc3c(cc2O[C@H]1CCCN1CCN(c2ccc(F)cc2)CC1)OCCO3	ZINC000013780770	563006564	/nfs/dbraw/zinc/00/65/64/563006564.db2.gz	ROKNHTINHHYTFM-IBGZPJMESA-N	0	1	427.476	2.899	1	0		IFAFMN
COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(CCc4ccccc4)CC3)[C@@H]1CO2	ZINC000022930612	563026335	/nfs/dbraw/zinc/02/63/35/563026335.db2.gz	AVVCHEPXGGYIRM-RDPSFJRHSA-N	0	1	437.540	2.676	1	0		IFAFMN
CN1CCN(c2ccc(S(=O)(=O)N(Cc3c[nH]cn3)CC3CCCCC3)cc2)CC1	ZINC000026651005	563034610	/nfs/dbraw/zinc/03/46/10/563034610.db2.gz	RWVUVNXCQQCGST-UHFFFAOYSA-N	0	1	431.606	2.933	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](CCCCCO)Cc2ccccc2)ccc1O	ZINC000026819761	563036869	/nfs/dbraw/zinc/03/68/69/563036869.db2.gz	JUHZUCWXDYDXTC-KNQAVFIVSA-N	0	1	436.574	2.551	1	0		IFAFMN
CS(=O)(=O)Nc1cc([C@H](O)CN[C@H](Cc2ccccc2)c2nccs2)ccc1O	ZINC000026830071	563037178	/nfs/dbraw/zinc/03/71/78/563037178.db2.gz	FEAIEGLSRLTACR-IEBWSBKVSA-N	0	1	433.555	2.827	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccncc2)ccc1O	ZINC000026830471	563037198	/nfs/dbraw/zinc/03/71/98/563037198.db2.gz	OSOPVAHQCXJRQE-SIKLNZKXSA-N	0	1	427.526	2.766	1	0		IFAFMN
COc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1CCN(C)CC1	ZINC000028525691	563056788	/nfs/dbraw/zinc/05/67/88/563056788.db2.gz	AOENLUNXEDMDRT-UHFFFAOYSA-N	0	1	427.524	2.940	1	0		IFAFMN
Cc1ccccc1S(=O)(=O)N1CCC(COc2cccc3nc(N)nc(N)c32)CC1	ZINC000028971831	563071221	/nfs/dbraw/zinc/07/12/21/563071221.db2.gz	DSQFTQQXWXHUGR-UHFFFAOYSA-N	0	1	427.530	2.582	1	0		IFAFMN
COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1	ZINC000029125902	563074496	/nfs/dbraw/zinc/07/44/96/563074496.db2.gz	ROEVUXACFZIKLF-GOSISDBHSA-N	0	1	435.446	2.835	1	0		IFAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnc2c(-c3nccs3)cc[nH]c1-2	ZINC000033820018	563084786	/nfs/dbraw/zinc/08/47/86/563084786.db2.gz	WZCLSUIVWDGNJP-UHFFFAOYSA-N	0	1	445.504	2.854	1	0		IFAFMN
COCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn21	ZINC000040913621	563111109	/nfs/dbraw/zinc/11/11/09/563111109.db2.gz	YAPODPFTTIJBTD-UHFFFAOYSA-N	0	1	427.553	2.585	1	0		IFAFMN
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C2CCCC2)CC1	ZINC000084687545	563175737	/nfs/dbraw/zinc/17/57/37/563175737.db2.gz	VTZGIBQZSWQQFS-UHFFFAOYSA-N	0	1	439.535	2.971	1	0		IFAFMN
CC(C)(C)NC(=O)NCCN1CCC(O)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1	ZINC000095588833	563189494	/nfs/dbraw/zinc/18/94/94/563189494.db2.gz	RVVNJGFVFJSAHY-UHFFFAOYSA-N	0	1	445.391	2.648	1	0		IFAFMN
Cc1ccccc1O[C@@H](C)C(=O)Nn1c(=O)cc(O)n(-c2ccc(Cl)cc2)c1=S	ZINC000001863331	562925151	/nfs/dbraw/zinc/92/51/51/562925151.db2.gz	QBBNBCRPKDJUFD-ZDUSSCGKSA-N	0	1	431.901	2.997	1	0		IFAFMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4CC=C(Cl)C[C@H]4C3=O)cc2)n1	ZINC000004001685	562940540	/nfs/dbraw/zinc/94/05/40/562940540.db2.gz	FSFDUQGAIQKIDA-IAGOWNOFSA-N	0	1	446.916	2.916	3	0		IFAFMN
COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCN(Cc2cnc[nH]2)CC1	ZINC000013472198	562987866	/nfs/dbraw/zinc/98/78/66/562987866.db2.gz	OCIJDRQRGWQUAT-FQEVSTJZSA-N	0	1	430.574	2.811	1	0		IFAFMN
CC(C)(O)[C@H]1SCN(CCCCN2CCN(c3nsc4ccccc43)CC2)C1=O	ZINC000013759394	563004821	/nfs/dbraw/zinc/00/48/21/563004821.db2.gz	XKVRLBCGIKZDIN-SFHVURJKSA-N	0	1	434.631	2.871	1	0		IFAFMN
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCCNS(C)(=O)=O)CC1	ZINC000026500384	563032667	/nfs/dbraw/zinc/03/26/67/563032667.db2.gz	ZAVNWVHRWHEXPJ-UHFFFAOYSA-N	0	1	431.986	2.545	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@@H](CCCCCO)Cc2ccccc2)ccc1O	ZINC000026819757	563036878	/nfs/dbraw/zinc/03/68/78/563036878.db2.gz	JUHZUCWXDYDXTC-SIKLNZKXSA-N	0	1	436.574	2.551	1	0		IFAFMN
C[C@H](NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1)C(=O)NCCc1ccccc1	ZINC000028220492	563051690	/nfs/dbraw/zinc/05/16/90/563051690.db2.gz	POTPSEYTYFJVAU-GERBCZOESA-N	0	1	442.563	2.901	1	0		IFAFMN
COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1	ZINC000029125653	563074483	/nfs/dbraw/zinc/07/44/83/563074483.db2.gz	BBRQDYWGXACESR-GOSISDBHSA-N	0	1	435.446	2.835	1	0		IFAFMN
O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1	ZINC000029306758	563077493	/nfs/dbraw/zinc/07/74/93/563077493.db2.gz	DRCSETNTACRVAJ-UHFFFAOYSA-N	0	1	434.327	2.982	1	0		IFAFMN
O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c1nccc2-c1ccccn1	ZINC000033820025	563084797	/nfs/dbraw/zinc/08/47/97/563084797.db2.gz	WXHSTEOWMXIVFQ-UHFFFAOYSA-N	0	1	439.475	2.792	1	0		IFAFMN
CC(C)NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1	ZINC000036473581	563095386	/nfs/dbraw/zinc/09/53/86/563095386.db2.gz	KPIMNRSCWULJDU-UHFFFAOYSA-N	0	1	426.546	2.767	1	0		IFAFMN
Nc1cc2ccc1Oc1cc(cc(Br)c1O)CCNC(=O)CCNC(=O)CC2	ZINC000036472927	563095452	/nfs/dbraw/zinc/09/54/52/563095452.db2.gz	GGXMZDGJOAHEGN-UHFFFAOYSA-N	0	1	448.317	2.640	1	0		IFAFMN
C[C@@H]1c2c(c(O)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1	ZINC000038147691	563096435	/nfs/dbraw/zinc/09/64/35/563096435.db2.gz	ICBVLBQDAJSTNX-GFCCVEGCSA-N	0	1	445.472	2.982	1	0		IFAFMN
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)nc2)ncc1C	ZINC000043201591	563119490	/nfs/dbraw/zinc/11/94/90/563119490.db2.gz	NMYHORFLAGAFBV-UHFFFAOYSA-N	0	1	432.532	2.779	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1	ZINC000049125225	563138843	/nfs/dbraw/zinc/13/88/43/563138843.db2.gz	SBKHEDZZMPNVER-RUZDIDTESA-N	0	1	434.540	2.601	1	0		IFAFMN
CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(Cc2ccccc2)CC1	ZINC000049784847	563139702	/nfs/dbraw/zinc/13/97/02/563139702.db2.gz	AVNNIMHCHIXFPJ-BJKOFHAPSA-N	0	1	439.531	2.928	1	0		IFAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(C(F)(F)F)cc1	ZINC000058568583	563144567	/nfs/dbraw/zinc/14/45/67/563144567.db2.gz	PFPXIIGXRXHJNO-UHFFFAOYSA-N	0	1	446.473	2.864	1	0		IFAFMN
O=C(Nc1ccn(CCCN2CCN(c3ccccn3)CC2)c(=O)n1)OCc1ccccc1	ZINC000061936069	563150826	/nfs/dbraw/zinc/15/08/26/563150826.db2.gz	SUCBEKLZLCUFFN-UHFFFAOYSA-N	0	1	448.527	2.599	3	0		IFAFMN
C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)c(F)c4)CC3)c21	ZINC000066058778	563156889	/nfs/dbraw/zinc/15/68/89/563156889.db2.gz	MGUZARQONFVYEN-BLLLJJGKSA-N	0	1	435.956	2.796	1	0		IFAFMN
COC(=O)NCCn1c(-c2ccccc2Cl)nc2c1nc(C)nc2N1CCN(C)CC1	ZINC000084712955	563177678	/nfs/dbraw/zinc/17/76/78/563177678.db2.gz	ANQDZRSJEJYATQ-UHFFFAOYSA-N	0	1	443.939	2.563	1	0		IFAFMN
NS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(-c4ccc5nc[nH]c5c4)cc3C2)cc1	ZINC000095591867	563190478	/nfs/dbraw/zinc/19/04/78/563190478.db2.gz	RUCDUJBXFVQAEL-UHFFFAOYSA-N	0	1	448.504	2.912	1	0		IFAFMN
COc1cc2ncnc(N3CCN[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)c2cc1OC	ZINC000096168413	563195324	/nfs/dbraw/zinc/19/53/24/563195324.db2.gz	MFURIWDPBUYKQD-QGZVFWFLSA-N	0	1	440.500	2.824	1	0		IFAFMN
C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(CCCO)c2OC1(C)C	ZINC000085595318	291339374	/nfs/dbraw/zinc/33/93/74/291339374.db2.gz	GCLQXXGBZMGWAO-OMLDUKLJSA-N	0	1	432.469	2.507	1	0	biogenic,in-vitro	IFAFMN
O=C([O-])C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)F)ccc1OCC(F)F	ZINC000021986322	527608293	/nfs/dbraw/zinc/60/82/93/527608293.db2.gz	LNOBWGIWSIHCBO-GFCCVEGCSA-N	0	1	436.402	2.643	2	0		IFAFMN
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCc3ccco3)cc12	ZINC000004034983	562940994	/nfs/dbraw/zinc/94/09/94/562940994.db2.gz	SEUNNIKTRAVCDH-UHFFFAOYSA-N	0	1	435.528	2.923	3	0		IFAFMN
CC[C@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O	ZINC000006296489	562946600	/nfs/dbraw/zinc/94/66/00/562946600.db2.gz	RSZIEWFFKVHYGW-AWEZNQCLSA-N	0	1	425.510	2.808	1	0		IFAFMN
CCCNC(=O)C[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000013746904	563004142	/nfs/dbraw/zinc/00/41/42/563004142.db2.gz	AIVZWVQMNJFOIL-OFAXGOBFSA-N	0	1	440.496	2.791	1	0		IFAFMN
CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1cccc(C[N@H+](C)CCO)c1	ZINC000014974847	563016781	/nfs/dbraw/zinc/01/67/81/563016781.db2.gz	LTVHWPPUJFKGPO-UHFFFAOYSA-N	0	1	444.919	2.982	1	0		IFAFMN
CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2O)c1-c1cccc(C[N@@H+](C)CCO)c1	ZINC000014974847	563016782	/nfs/dbraw/zinc/01/67/82/563016782.db2.gz	LTVHWPPUJFKGPO-UHFFFAOYSA-N	0	1	444.919	2.982	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@H](O)C[NH2+][C@H](CCCCCO)Cc2ccccc2)ccc1O	ZINC000026819766	563036884	/nfs/dbraw/zinc/03/68/84/563036884.db2.gz	JUHZUCWXDYDXTC-DENIHFKCSA-N	0	1	436.574	2.551	1	0		IFAFMN
Cn1ncc(C(=O)N2CCc3cc4ccnc(N5CCN(C)CC5)c4cc32)c1C(F)(F)F	ZINC000028525705	563056759	/nfs/dbraw/zinc/05/67/59/563056759.db2.gz	RCRXGUGILVHSPG-UHFFFAOYSA-N	0	1	444.461	2.942	1	0		IFAFMN
COc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCN(C)CC1	ZINC000028526154	563056822	/nfs/dbraw/zinc/05/68/22/563056822.db2.gz	PGAUZNVGTNAJSV-UHFFFAOYSA-N	0	1	427.524	2.940	1	0		IFAFMN
Cc1cccc(S(=O)(=O)N2CCC(COc3cccc4nc(N)nc(N)c43)CC2)c1	ZINC000028971836	563071234	/nfs/dbraw/zinc/07/12/34/563071234.db2.gz	SWULWYQIEVFRET-UHFFFAOYSA-N	0	1	427.530	2.582	1	0		IFAFMN
Nc1nc(N)c2c(cccc2OCC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1	ZINC000028971817	563071283	/nfs/dbraw/zinc/07/12/83/563071283.db2.gz	NRTZXESQVCKSNQ-UHFFFAOYSA-N	0	1	447.948	2.927	1	0		IFAFMN
CSc1nc(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)ncc1F	ZINC000029308521	563077466	/nfs/dbraw/zinc/07/74/66/563077466.db2.gz	MYLPTQJEYWFYHX-UHFFFAOYSA-N	0	1	429.521	2.536	1	0		IFAFMN
O=C1c2ccccc2C(=O)N1[C@H]1CCC(=O)N(CSC(=S)NC2CCCCC2)C1=O	ZINC000040391610	563099831	/nfs/dbraw/zinc/09/98/31/563099831.db2.gz	FFNWHRVLDSRFEI-INIZCTEOSA-N	0	1	445.566	2.698	1	0		IFAFMN
O=C1c2ccccc2C(=O)N1[C@@H]1CCC(=O)N(CSC(=S)NC2CCCCC2)C1=O	ZINC000040391607	563099846	/nfs/dbraw/zinc/09/98/46/563099846.db2.gz	FFNWHRVLDSRFEI-MRXNPFEDSA-N	0	1	445.566	2.698	1	0		IFAFMN
Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCSCC2)n1	ZINC000040431140	563103625	/nfs/dbraw/zinc/10/36/25/563103625.db2.gz	SSCXJKIURZDFOK-UHFFFAOYSA-N	0	1	425.963	2.962	1	0		IFAFMN
C[NH+]1CCN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c([O-])c3ncccc23)CC1	ZINC000040865969	563108718	/nfs/dbraw/zinc/10/87/18/563108718.db2.gz	DHOCHGXXFALDAS-UHFFFAOYSA-N	0	1	448.458	2.503	1	0		IFAFMN
COc1ccccc1N1CCN([C@H](C)CCN2C(=O)N[C@@H]3c4ccccc4N[C@@H]3C2=O)CC1	ZINC000040979154	563115441	/nfs/dbraw/zinc/11/54/41/563115441.db2.gz	VQVKAYGUPIBMRC-ZQMYSKGWSA-N	0	1	449.555	2.683	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)[C@H]3Nc4ccccc4[C@@H]3N(C)C2=O)CC1	ZINC000040980207	563115543	/nfs/dbraw/zinc/11/55/43/563115543.db2.gz	LOPOWGDCEGLSLV-GOTSBHOMSA-N	0	1	449.555	2.637	1	0		IFAFMN
COc1cc2[nH]c([S@](=O)Cc3nccc(OC)c3OC)nc2cc1NC(=O)C1CC1	ZINC000072170741	563164984	/nfs/dbraw/zinc/16/49/84/563164984.db2.gz	COHXFLTYXYEPGE-PMERELPUSA-N	0	1	430.486	2.640	1	0		IFAFMN
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Nc3ccccc3)C4)cc2)CC1	ZINC000095603919	563193633	/nfs/dbraw/zinc/19/36/33/563193633.db2.gz	GPIRMZIWATXULY-UHFFFAOYSA-N	0	1	445.527	2.962	1	0		IFAFMN
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C(=O)[C@H]1[C@@H](C)/C(=C\C(=O)OCCN(C)C)CC[C@@H]12	ZINC000103554278	291344016	/nfs/dbraw/zinc/34/40/16/291344016.db2.gz	DFDLSTQZQLKKOB-UUJYJCBQSA-N	0	1	449.588	2.609	1	0	biogenic,in-vitro	IFAFMN
CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)c3ccc(F)cc3)CC2)c1	ZINC000013703846	563001220	/nfs/dbraw/zinc/00/12/20/563001220.db2.gz	XTYRATUPWPIEHA-UHFFFAOYSA-N	0	1	448.564	2.665	1	0		IFAFMN
O=C(CCn1cncn1)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000015078823	563017572	/nfs/dbraw/zinc/01/75/72/563017572.db2.gz	UBHLPPZMBXQOIH-IBGZPJMESA-N	0	1	436.482	2.500	3	0		IFAFMN
COc1cc2c(cc1OC)C1=NO[C@H](CN3CCN(CCc4ccccc4)CC3)[C@H]1CO2	ZINC000026646289	563034451	/nfs/dbraw/zinc/03/44/51/563034451.db2.gz	AVVCHEPXGGYIRM-HYBUGGRVSA-N	0	1	437.540	2.676	1	0		IFAFMN
Cc1ccnn1CCNc1cc[nH]c(=O)c1-c1nc2c(cc(N3CCOCC3)cc2C)[nH]1	ZINC000029040955	563072093	/nfs/dbraw/zinc/07/20/93/563072093.db2.gz	PEKRZORROVAFCW-UHFFFAOYSA-N	0	1	433.516	2.680	1	0		IFAFMN
Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000034603829	563086446	/nfs/dbraw/zinc/08/64/46/563086446.db2.gz	ICBWFOBAWJKURO-UHFFFAOYSA-N	0	1	433.708	2.957	1	0		IFAFMN
Cc1ccc(/C=C/C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(ccc5O)C[C@H]2N(C)CC[C@]643)cc1	ZINC000036221557	563092138	/nfs/dbraw/zinc/09/21/38/563092138.db2.gz	JRFZMFGBYRTYRZ-MDZANWBPSA-N	0	1	444.531	2.891	1	0	in-vivo	IFAFMN
Cc1ccc(S(=O)(=O)n2ccc(CN3CCC([NH+]4CCCCC4)CC3)c([O-])c2=O)cc1	ZINC000038800930	563098332	/nfs/dbraw/zinc/09/83/32/563098332.db2.gz	ADTSWGMSEGSYRB-UHFFFAOYSA-N	0	1	445.585	2.550	1	0		IFAFMN
Cc1cccc(CN2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1	ZINC000040556655	563104574	/nfs/dbraw/zinc/10/45/74/563104574.db2.gz	JGCRLLPNGHFAAH-QHCPKHFHSA-N	0	1	427.499	2.570	1	0		IFAFMN
O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ncccn2)CC1	ZINC000045506317	563134906	/nfs/dbraw/zinc/13/49/06/563134906.db2.gz	VTMUIAZGURXLKY-UHFFFAOYSA-N	0	1	429.528	2.580	1	0	in-vitro	IFAFMN
O=c1[nH]c2cccc(N3CCN(CCCCOc4ccc5c(c4)NC(=O)CC5)CC3)c2o1	ZINC000049050396	563136886	/nfs/dbraw/zinc/13/68/86/563136886.db2.gz	AYFPLBIYHZLNPS-UHFFFAOYSA-N	0	1	436.512	2.987	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)CC1	ZINC000049088056	563138010	/nfs/dbraw/zinc/13/80/10/563138010.db2.gz	OUXGCTLOLJELQS-AREMUKBSSA-N	0	1	448.567	2.991	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1	ZINC000049125221	563138827	/nfs/dbraw/zinc/13/88/27/563138827.db2.gz	SBKHEDZZMPNVER-VWLOTQADSA-N	0	1	434.540	2.601	1	0		IFAFMN
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCO)C(=O)[C@@](C)(c1ccccc1)O2	ZINC000064453912	563153580	/nfs/dbraw/zinc/15/35/80/563153580.db2.gz	DUQIAFSRNOQZQX-XMMPIXPASA-N	0	1	433.512	2.894	1	0		IFAFMN
C[C@H]1C[C@@]2(C[C@@](C)(C(=O)CSc3nc(-c4ccccc4Cl)n[nH]3)OC2=O)C(=O)O1	ZINC000016319862	556600170	/nfs/dbraw/zinc/60/01/70/556600170.db2.gz	FTZRUURQZZDBSC-WQZPPZBRSA-N	0	1	435.889	2.814	1	0		IFAFMN
COc1ccc(NCC(=O)N2CCN(c3ccccc3C)CC2)cc1N1CCN(C)CC1	ZINC000000836553	562919353	/nfs/dbraw/zinc/91/93/53/562919353.db2.gz	WFOIZGHWYARGOF-UHFFFAOYSA-N	0	1	437.588	2.516	1	0		IFAFMN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@@H]3CCCN3CC)c21	ZINC000002459215	562928014	/nfs/dbraw/zinc/92/80/14/562928014.db2.gz	HCDWVCUANCUKLS-HNNXBMFYSA-N	0	1	444.395	2.511	3	0		IFAFMN
Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)NC1CCN(Cc2ccccc2)CC1	ZINC000006552015	562947280	/nfs/dbraw/zinc/94/72/80/562947280.db2.gz	FLKFEICGVCLZGI-WJOKGBTCSA-N	0	1	441.597	2.771	3	0		IFAFMN
CCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(OCC)cc3)cc2c1=O	ZINC000008606987	562957169	/nfs/dbraw/zinc/95/71/69/562957169.db2.gz	LTEKYZOLYJOVKG-UHFFFAOYSA-N	0	1	443.525	2.892	3	0		IFAFMN
O=C(N[C@@H]1CN2CCC1CC2)c1cccc2[nH]c(CN3CCN(c4ccccc4)CC3)nc21	ZINC000013539195	562992608	/nfs/dbraw/zinc/99/26/08/562992608.db2.gz	VFTSEFLBACBUKF-HSZRJFAPSA-N	0	1	444.583	2.709	1	0		IFAFMN
O=C(N[C@H]1CN2CCC1CC2)c1cccc2[nH]c(CN3CCN(c4ccccc4)CC3)nc21	ZINC000013539198	562992620	/nfs/dbraw/zinc/99/26/20/562992620.db2.gz	VFTSEFLBACBUKF-QHCPKHFHSA-N	0	1	444.583	2.709	1	0		IFAFMN
CCCC(=O)OCC1(N(C(=O)CCC)c2ccccc2)CCN(CCn2ncnn2)CC1	ZINC000028016746	563049960	/nfs/dbraw/zinc/04/99/60/563049960.db2.gz	ZSLDLPSFBPSDRL-UHFFFAOYSA-N	0	1	442.564	2.684	1	0		IFAFMN
Cc1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(cc(N4CCOCC4)cc3C)[nH]2)c1	ZINC000029040933	563072118	/nfs/dbraw/zinc/07/21/18/563072118.db2.gz	KPOGZXKEKLWFOS-UHFFFAOYSA-N	0	1	433.516	2.680	1	0		IFAFMN
COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1	ZINC000029125745	563074502	/nfs/dbraw/zinc/07/45/02/563074502.db2.gz	PFBSTWIIFXZIAD-GOSISDBHSA-N	0	1	435.446	2.835	1	0		IFAFMN
C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1cnc2c(-c3ncco3)cc[nH]c1-2	ZINC000033820013	563084670	/nfs/dbraw/zinc/08/46/70/563084670.db2.gz	ZWHQVDHDJSPINY-OAHLLOKOSA-N	0	1	443.463	2.774	1	0		IFAFMN
CCC(C)(CC)OC(=O)CCNC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1	ZINC000034630864	563086592	/nfs/dbraw/zinc/08/65/92/563086592.db2.gz	RDFDOTFEEZLXTI-JTQLQIEISA-N	0	1	436.349	2.615	1	0		IFAFMN
O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc2nonc2c1	ZINC000040392700	563100005	/nfs/dbraw/zinc/10/00/05/563100005.db2.gz	VZGCIZBAKNLDRR-UHFFFAOYSA-N	0	1	441.507	2.903	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)[C@H]3Nc4ccccc4[C@H]3N(C)C2=O)CC1	ZINC000040980206	563115602	/nfs/dbraw/zinc/11/56/02/563115602.db2.gz	LOPOWGDCEGLSLV-XZOQPEGZSA-N	0	1	449.555	2.637	1	0		IFAFMN
COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@@H](C)N(C(=O)CN)C2(C)C)c1	ZINC000045254548	563127010	/nfs/dbraw/zinc/12/70/10/563127010.db2.gz	AVXGQHVURUOTAB-HZPDHXFCSA-N	0	1	427.549	2.578	1	0		IFAFMN
Nn1c(=O)c2ccccc2nc1SCCCN1CCN(c2ccc3ccccc3n2)CC1	ZINC000059855451	563146785	/nfs/dbraw/zinc/14/67/85/563146785.db2.gz	HLMKBCUKQMBYDR-UHFFFAOYSA-N	0	1	446.580	2.963	1	0		IFAFMN
O=C(CN1CCCC1)Nc1ccc(C(O)c2ccc(NC(=O)CN3CCCC3)cc2)cc1	ZINC000066078165	563157754	/nfs/dbraw/zinc/15/77/54/563157754.db2.gz	PQLOLILBGBTMRB-UHFFFAOYSA-N	0	1	436.556	2.837	1	0		IFAFMN
COc1[nH]nc2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC4CC4)c3F)cc21	ZINC000072182195	563167399	/nfs/dbraw/zinc/16/73/99/563167399.db2.gz	RZQMYYLKHROHCG-UHFFFAOYSA-N	0	1	437.428	2.649	1	0		IFAFMN
COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)CC(C)C)c3F)cc12	ZINC000072182347	563167413	/nfs/dbraw/zinc/16/74/13/563167413.db2.gz	NHTJBMHRXBEROC-UHFFFAOYSA-N	0	1	439.444	2.895	1	0		IFAFMN
COc1cc(OC)c(OC)cc1CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1	ZINC000012079331	562980660	/nfs/dbraw/zinc/98/06/60/562980660.db2.gz	KHTMTQQLNSCMJP-UHFFFAOYSA-N	0	1	443.548	2.767	1	0		IFAFMN
O=C(CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1)N1CCN(c2ccccn2)CC1	ZINC000012303154	562981080	/nfs/dbraw/zinc/98/10/80/562981080.db2.gz	HKVRXIQMBXMMQI-GOSISDBHSA-N	0	1	436.560	2.663	3	0		IFAFMN
CCn1cc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cn1	ZINC000013636603	562998321	/nfs/dbraw/zinc/99/83/21/562998321.db2.gz	UQVOAJKWJYUJBP-XMMPIXPASA-N	0	1	445.567	2.542	3	0		IFAFMN
Cc1nc2ccc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)cc2[nH]1	ZINC000013818856	563009759	/nfs/dbraw/zinc/00/97/59/563009759.db2.gz	RMOLGGGFOCOFKL-UHFFFAOYSA-N	0	1	430.512	2.707	1	0		IFAFMN
Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCN2CCOCC2)CC1	ZINC000015944528	563020216	/nfs/dbraw/zinc/02/02/16/563020216.db2.gz	LFGGDQPNGOIBFQ-UHFFFAOYSA-N	0	1	446.979	2.964	3	0		IFAFMN
CCOC(=O)C(CC(=O)c1cccc(OC)c1)(NC(=O)c1ccccc1)C(=O)OCC	ZINC000026655082	563034799	/nfs/dbraw/zinc/03/47/99/563034799.db2.gz	SQWCULCZMHGIPO-UHFFFAOYSA-N	0	1	427.453	2.563	1	0		IFAFMN
CN(Cc1ccc2cc(F)ccc2n1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1	ZINC000026949064	563038152	/nfs/dbraw/zinc/03/81/52/563038152.db2.gz	SEZRREADYJVLBF-IBGZPJMESA-N	0	1	433.505	2.617	1	0		IFAFMN
COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1N1CC[NH2+]CC1	ZINC000027656184	563045321	/nfs/dbraw/zinc/04/53/21/563045321.db2.gz	MOVUYASQFVYATN-UHFFFAOYSA-N	0	1	426.336	2.668	1	0		IFAFMN
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCSc2nccn2C)CC1	ZINC000027980218	563048562	/nfs/dbraw/zinc/04/85/62/563048562.db2.gz	KWTFAQJKGMTQRQ-UHFFFAOYSA-N	0	1	430.574	2.963	1	0		IFAFMN
CC(C)(C)c1nc(N2CCN(CCCCn3cccnc3=O)CC2)cc(C(F)(F)F)n1	ZINC000028567700	563058344	/nfs/dbraw/zinc/05/83/44/563058344.db2.gz	NDOUOJYZWZVNBL-UHFFFAOYSA-N	0	1	438.498	2.952	1	0		IFAFMN
CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c-3n[nH]c2-c2ccno2)C(=O)O1	ZINC000028949266	563069421	/nfs/dbraw/zinc/06/94/21/563069421.db2.gz	HWSJLOXUPQDYRG-AWEZNQCLSA-N	0	1	425.420	2.821	1	0		IFAFMN
CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2cc(C)n(C)n2)C(=O)O1	ZINC000028949234	563069435	/nfs/dbraw/zinc/06/94/35/563069435.db2.gz	PTWDHMJKXQKURK-KRWDZBQOSA-N	0	1	434.500	2.736	1	0		IFAFMN
Cc1ccn(CCNc2cc[nH]c(=O)c2-c2nc3c(cc(N4CCOCC4)cc3C)[nH]2)n1	ZINC000029040953	563072079	/nfs/dbraw/zinc/07/20/79/563072079.db2.gz	SNOTWCLMAWVNNM-UHFFFAOYSA-N	0	1	433.516	2.680	1	0		IFAFMN
COc1ccc2c(=O)cc(C(=O)NC[C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)oc2c1	ZINC000036351833	563093384	/nfs/dbraw/zinc/09/33/84/563093384.db2.gz	BVDNHCGBDQQNEK-MRXNPFEDSA-N	0	1	436.464	2.782	1	0		IFAFMN
O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc([C@@H]2C=CS(=O)(=O)CC2)c(F)c1	ZINC000038480346	563097952	/nfs/dbraw/zinc/09/79/52/563097952.db2.gz	IYGUGOJGCZKOCU-PWSUYJOCSA-N	0	1	434.461	2.749	1	0		IFAFMN
O=S(=O)(Nc1cc(Br)ccc1OCCN1CCOCC1)c1ccccc1	ZINC000040834363	563107134	/nfs/dbraw/zinc/10/71/34/563107134.db2.gz	LYNUFILUPRZRBL-UHFFFAOYSA-N	0	1	441.347	2.961	1	0		IFAFMN
O=c1[nH]c2cccc(N3CCN(CCOc4cccc5[nH]c(C(F)(F)F)nc54)CC3)c2[nH]1	ZINC000040836603	563107314	/nfs/dbraw/zinc/10/73/14/563107314.db2.gz	GJBKSEISTOFDSM-UHFFFAOYSA-N	0	1	446.433	2.952	1	0		IFAFMN
CNC(=O)Cn1c2ccccc2n(C2CCN(Cc3nccc4ccccc43)CC2)c1=O	ZINC000049033570	563136020	/nfs/dbraw/zinc/13/60/20/563136020.db2.gz	JTZDOEUJZWVVLB-UHFFFAOYSA-N	0	1	429.524	2.934	1	0		IFAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1)c1ccc(F)cc1	ZINC000064437264	563153032	/nfs/dbraw/zinc/15/30/32/563153032.db2.gz	FZSPMCRCOODROZ-UHFFFAOYSA-N	0	1	430.911	2.637	1	0		IFAFMN
Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccc(=O)[nH]c5)nc4C)ccc3[nH]2)n1	ZINC000068205677	563161191	/nfs/dbraw/zinc/16/11/91/563161191.db2.gz	GLHZGJCELNGIJL-UHFFFAOYSA-N	0	1	429.440	2.843	1	0		IFAFMN
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)NC(=O)c1ccc(F)cc1	ZINC000072138546	563164373	/nfs/dbraw/zinc/16/43/73/563164373.db2.gz	WLYWMYCNIUXPFM-HNNXBMFYSA-N	0	1	446.473	2.651	1	0		IFAFMN
COc1ccc(-c2cc(NC(=O)[C@H](C)CCC[N@H+]3CCCN(C(C)=O)CC3)n[nH]2)cc1	ZINC000084731712	563178641	/nfs/dbraw/zinc/17/86/41/563178641.db2.gz	KELGFUJORMNBDM-QGZVFWFLSA-N	0	1	427.549	2.994	1	0		IFAFMN
C[C@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1	ZINC000095581001	563187488	/nfs/dbraw/zinc/18/74/88/563187488.db2.gz	SGLNMMAPIOUVCB-OAHLLOKOSA-N	0	1	446.473	2.651	1	0		IFAFMN
CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCn2nnn(CC)c2=O)CC1	ZINC000003786888	562937875	/nfs/dbraw/zinc/93/78/75/562937875.db2.gz	KLROARYWIWHHSX-UHFFFAOYSA-N	0	1	448.571	2.894	1	0		IFAFMN
Cc1sc2nc(SCCCN3CCN(c4ncccn4)CC3)n(C)c(=O)c2c1C	ZINC000013761034	563005110	/nfs/dbraw/zinc/00/51/10/563005110.db2.gz	QPKMMMONLNCLLW-UHFFFAOYSA-N	0	1	430.603	2.706	1	0		IFAFMN
CCCCOc1ccccc1N1CCN(CCCCN2CC(=O)N3CCC[C@H]3C2=O)CC1	ZINC000013861498	563012698	/nfs/dbraw/zinc/01/26/98/563012698.db2.gz	XGYUTJDHIDWLGV-QFIPXVFZSA-N	0	1	442.604	2.601	1	0		IFAFMN
COc1cc2c(cc1OC)C1=NO[C@H](CN3CCN(CCc4ccccc4)CC3)[C@@H]1CO2	ZINC000026646294	563034449	/nfs/dbraw/zinc/03/44/49/563034449.db2.gz	AVVCHEPXGGYIRM-GBXCKJPGSA-N	0	1	437.540	2.676	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](CCCCCO)Cc2ccccc2)ccc1O	ZINC000026819751	563036812	/nfs/dbraw/zinc/03/68/12/563036812.db2.gz	JUHZUCWXDYDXTC-UGKGYDQZSA-N	0	1	436.574	2.551	1	0		IFAFMN
COC(=O)c1cccnc1N1CCN(CCCCN2C(=O)SC3(CCCC3)C2=O)CC1	ZINC000027709218	563045580	/nfs/dbraw/zinc/04/55/80/563045580.db2.gz	MZCOGVHKALYHMZ-UHFFFAOYSA-N	0	1	446.573	2.779	1	0		IFAFMN
O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c-3n[nH]c2-c2ccno2)C(=O)O1)C(F)F	ZINC000028949349	563069407	/nfs/dbraw/zinc/06/94/07/563069407.db2.gz	JORMFBVKVNSUGG-ZDUSSCGKSA-N	0	1	443.410	2.927	1	0		IFAFMN
C=C1c2c(c(O)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1	ZINC000038147693	563096400	/nfs/dbraw/zinc/09/64/00/563096400.db2.gz	VTUOOQGXKLBRMW-UHFFFAOYSA-N	0	1	443.456	2.891	1	0		IFAFMN
C[C@H]1c2c(c(O)c3ncccc3c2OS(=O)(=O)N(C)C)C(=O)N1Cc1ccc(F)cc1	ZINC000038147692	563096409	/nfs/dbraw/zinc/09/64/09/563096409.db2.gz	ICBVLBQDAJSTNX-LBPRGKRZSA-N	0	1	445.472	2.982	1	0		IFAFMN
Nc1nc2c(cnn2CCN2CCc3ncc(C4CC4)cc3C2)c2nc(-c3ccco3)nn21	ZINC000038460716	563097846	/nfs/dbraw/zinc/09/78/46/563097846.db2.gz	RBQLDUMEVCNBFA-UHFFFAOYSA-N	0	1	441.499	2.647	1	0		IFAFMN
COc1c(O)cc2c(O)c1C[C@H](C)OC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N2	ZINC000040763986	563106483	/nfs/dbraw/zinc/10/64/83/563106483.db2.gz	VNQYIWZZSQQBKT-QMMMGPOBSA-N	0	1	437.832	2.844	1	0		IFAFMN
O=c1cc(-c2ccc3c(c2)OCCO3)oc2cc(OCCN3CCOCC3)cc(O)c12	ZINC000045506072	563134816	/nfs/dbraw/zinc/13/48/16/563134816.db2.gz	LGWVRJNVEGULJE-UHFFFAOYSA-N	0	1	425.437	2.648	1	0		IFAFMN
Cn1cc(C(N)=O)c2c1-c1nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc1CC2(C)C	ZINC000064503954	563153926	/nfs/dbraw/zinc/15/39/26/563153926.db2.gz	JBVYKHPDEPWWRE-UHFFFAOYSA-N	0	1	445.571	2.910	1	0		IFAFMN
CCCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F	ZINC000072142835	563164894	/nfs/dbraw/zinc/16/48/94/563164894.db2.gz	AHNLMXJLZJEFPI-UHFFFAOYSA-N	0	1	437.453	2.518	1	0		IFAFMN
Cc1cc(CN2CCN(c3c4nc(-c5cn(C)nc5C)[nH]c4ncc3Cl)CC2)no1	ZINC000095561010	563182359	/nfs/dbraw/zinc/18/23/59/563182359.db2.gz	GOTODHLHVSBWDG-UHFFFAOYSA-N	0	1	426.912	2.939	1	0		IFAFMN
Fc1ccc(Br)c(OC2CCN(c3nnc(-c4nn[nH]n4)s3)CC2)c1	ZINC000095576590	563186014	/nfs/dbraw/zinc/18/60/14/563186014.db2.gz	VJYMDTMHJYNRJZ-UHFFFAOYSA-N	0	1	426.275	2.668	1	0		IFAFMN
O=C(CSc1nc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n[nH]1)N1CCCC1	ZINC000006552381	562947324	/nfs/dbraw/zinc/94/73/24/562947324.db2.gz	YWMZXRMVTLYECI-UHFFFAOYSA-N	0	1	449.602	2.797	3	0		IFAFMN
CC(=O)O[C@@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@H](C5C=CC(=O)O5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1	ZINC000008740224	562963819	/nfs/dbraw/zinc/96/38/19/562963819.db2.gz	SHENECVDVUHQOP-NLJGXWHYSA-N	0	1	443.540	2.792	3	0		IFAFMN
COc1ccccc1N1CCN(CCCn2nc(-n3cnc4ccccc43)ccc2=O)CC1	ZINC000013437628	562986076	/nfs/dbraw/zinc/98/60/76/562986076.db2.gz	DYERXTZKMVHGJP-UHFFFAOYSA-N	0	1	444.539	2.803	1	0		IFAFMN
Nc1nc(NC[C@H]2CCCN2Cc2cc(F)cc(F)c2)nc2nc(-c3ccco3)nn21	ZINC000013612466	562997955	/nfs/dbraw/zinc/99/79/55/562997955.db2.gz	LGLYALHSXJLZFB-OAHLLOKOSA-N	0	1	426.431	2.716	1	0		IFAFMN
CCCOC(=O)c1ccccc1N1CCN(CCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1	ZINC000013861469	563012682	/nfs/dbraw/zinc/01/26/82/563012682.db2.gz	PJNVZRIKRVAABG-NRFANRHFSA-N	0	1	442.560	2.582	1	0		IFAFMN
CC(=O)OCCN1CCN(C[C@H]2c3c(c(C)c(C)c(OC(C)=O)c3C)OC2(C)C)CC1	ZINC000022443093	563025567	/nfs/dbraw/zinc/02/55/67/563025567.db2.gz	MNQXTSAKMDYOIF-FQEVSTJZSA-N	0	1	432.561	2.972	1	0		IFAFMN
CN1CCN(CNC(=O)c2n[nH]c3c2C[C@@H]2[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]32C)CC1	ZINC000028528605	563057146	/nfs/dbraw/zinc/05/71/46/563057146.db2.gz	RKHKHZBNBPXUKB-AIFZUELHSA-N	0	1	449.599	2.620	1	0		IFAFMN
Nc1nc(N)c2c(cccc2OCC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1	ZINC000028971844	563071225	/nfs/dbraw/zinc/07/12/25/563071225.db2.gz	PCWGFPDTEDHZBM-UHFFFAOYSA-N	0	1	449.483	2.552	1	0		IFAFMN
COc1cc(Cc2c[nH+]c(N)nc2N)cc(OCCCCC(=O)[O-])c1Br	ZINC000029207290	563076542	/nfs/dbraw/zinc/07/65/42/563076542.db2.gz	KRCWWXNWWWXXLR-UHFFFAOYSA-N	0	1	425.283	2.637	1	0		IFAFMN
CN1CCN(c2ccc(-c3nc4ccccc4c(NCCN4CCOCC4)n3)cc2)CC1	ZINC000038347193	563097497	/nfs/dbraw/zinc/09/74/97/563097497.db2.gz	DPBUIYRVIADVFD-UHFFFAOYSA-N	0	1	432.572	2.793	1	0		IFAFMN
O=C1O[C@@H](CNC(=S)C(F)F)CN1c1ccc([C@H]2C=CS(=O)(=O)CC2)c(F)c1	ZINC000038480345	563097967	/nfs/dbraw/zinc/09/79/67/563097967.db2.gz	IYGUGOJGCZKOCU-JQWIXIFHSA-N	0	1	434.461	2.749	1	0		IFAFMN
COc1cc(F)cc(N2CCN(CCCCNC(=O)c3ccc4nonc4c3)CC2)c1	ZINC000040392599	563099968	/nfs/dbraw/zinc/09/99/68/563099968.db2.gz	KIZBUXGNTYZANG-UHFFFAOYSA-N	0	1	427.480	2.703	1	0		IFAFMN
COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@H](C)N(C(=O)CN)C2(C)C)c1	ZINC000040424031	563102864	/nfs/dbraw/zinc/10/28/64/563102864.db2.gz	AVXGQHVURUOTAB-CVEARBPZSA-N	0	1	427.549	2.578	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)[C@@H]3Nc4ccccc4[C@@H]3N(C)C2=O)CC1	ZINC000040980211	563115562	/nfs/dbraw/zinc/11/55/62/563115562.db2.gz	LOPOWGDCEGLSLV-PKTZIBPZSA-N	0	1	449.555	2.637	1	0		IFAFMN
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccc(N(C)C)cc3C2=O)CC1	ZINC000045335755	563131391	/nfs/dbraw/zinc/13/13/91/563131391.db2.gz	XPOCPUSKJUTHOU-UHFFFAOYSA-N	0	1	436.556	2.960	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)CC1	ZINC000049088055	563137986	/nfs/dbraw/zinc/13/79/86/563137986.db2.gz	OUXGCTLOLJELQS-SANMLTNESA-N	0	1	448.567	2.991	1	0		IFAFMN
CC(C)c1[nH]nc(Cl)c1-c1ccnc(Nc2ccc(N3CCN(CCO)CC3)cn2)n1	ZINC000064539289	563154946	/nfs/dbraw/zinc/15/49/46/563154946.db2.gz	DIXITDIZTSWFDW-UHFFFAOYSA-N	0	1	442.955	2.896	1	0		IFAFMN
CN(C)Cc1cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F	ZINC000064540286	563155262	/nfs/dbraw/zinc/15/52/62/563155262.db2.gz	UPUZEZAWKYBLBL-UHFFFAOYSA-N	0	1	429.468	2.641	1	0		IFAFMN
COc1cc2[nH]c([S@@](=O)Cc3nccc(OC)c3OC)nc2cc1NC(=O)C1CC1	ZINC000072170742	563164931	/nfs/dbraw/zinc/16/49/31/563164931.db2.gz	COHXFLTYXYEPGE-SSEXGKCCSA-N	0	1	430.486	2.640	1	0		IFAFMN
Cc1noc(C)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000073139585	563168875	/nfs/dbraw/zinc/16/88/75/563168875.db2.gz	XLFGFKVJBNKNQW-UHFFFAOYSA-N	0	1	427.954	2.597	1	0		IFAFMN
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cnc1N	ZINC000095572462	563184787	/nfs/dbraw/zinc/18/47/87/563184787.db2.gz	FIWUANPUEQNRJI-UHFFFAOYSA-N	0	1	431.905	2.848	1	0		IFAFMN
C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(F)c(F)c1	ZINC000095585503	563188925	/nfs/dbraw/zinc/18/89/25/563188925.db2.gz	SGLNMMAPIOUVCB-HNNXBMFYSA-N	0	1	446.473	2.651	1	0		IFAFMN
CN(C)CC(=O)N[C@H](c1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1	ZINC000095591771	563190358	/nfs/dbraw/zinc/19/03/58/563190358.db2.gz	FZNNDHNMIKEKCK-HXUWFJFHSA-N	0	1	436.903	2.734	1	0		IFAFMN
CCN1CCN(c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)CC1	ZINC000096174440	563196086	/nfs/dbraw/zinc/19/60/86/563196086.db2.gz	UEWIEMDRYRSCHR-UHFFFAOYSA-N	0	1	434.544	2.645	1	0		IFAFMN
CCCCN1C(=O)[C@@H](CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2	ZINC000001553595	562922934	/nfs/dbraw/zinc/92/29/34/562922934.db2.gz	OYYLRSIEFZQBJI-HXUWFJFHSA-N	0	1	443.588	2.966	1	0		IFAFMN
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nc(-c2ccncc2)no1	ZINC000003007422	562931604	/nfs/dbraw/zinc/93/16/04/562931604.db2.gz	MHDIFNKJRAOXQS-UHFFFAOYSA-N	0	1	426.908	2.727	3	0		IFAFMN
N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC=Cc1c[nH]cn1)C(c1ccccc1)c1ccccc1	ZINC000004805537	562943627	/nfs/dbraw/zinc/94/36/27/562943627.db2.gz	CPRRWWFKLKISFM-ONEVPWEASA-N	0	1	443.551	2.690	1	0		IFAFMN
CC[C@@H]1CCCCN1CCNC(=O)CCS(=O)(=O)c1ccc(Br)cc1	ZINC000008662541	562960366	/nfs/dbraw/zinc/96/03/66/562960366.db2.gz	XLQFAQQLUIJNFN-MRXNPFEDSA-N	0	1	431.396	2.994	3	0		IFAFMN
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCC(N2CCOCC2)CC1	ZINC000013596597	562996635	/nfs/dbraw/zinc/99/66/35/562996635.db2.gz	FOIOSEFVBKGVJH-UHFFFAOYSA-N	0	1	447.583	2.903	3	0		IFAFMN
C[NH+]1CCN(C(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)[O-])cc2)CC1	ZINC000013818770	563009705	/nfs/dbraw/zinc/00/97/05/563009705.db2.gz	KKZBAYODMNBMQJ-IBGZPJMESA-N	0	1	445.903	2.512	1	0		IFAFMN
CCCOC(=O)c1ccccc1N1CCN(CCCN2C(=O)[C@H]3CCCCN3C2=O)CC1	ZINC000013861470	563012743	/nfs/dbraw/zinc/01/27/43/563012743.db2.gz	PJNVZRIKRVAABG-OAQYLSRUSA-N	0	1	442.560	2.582	1	0		IFAFMN
CCCOC(=O)c1ccccc1N1CCN(CCCCN2C(=O)[C@H]3CCCN3C2=O)CC1	ZINC000013861486	563012763	/nfs/dbraw/zinc/01/27/63/563012763.db2.gz	MMIYSPOBJUOORI-OAQYLSRUSA-N	0	1	442.560	2.582	1	0		IFAFMN
Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCCN2CCOCC2)CC1	ZINC000020240770	563024233	/nfs/dbraw/zinc/02/42/33/563024233.db2.gz	KADVNMPYJAAEOV-UHFFFAOYSA-N	0	1	426.561	2.619	3	0		IFAFMN
NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1	ZINC000026277340	563030536	/nfs/dbraw/zinc/03/05/36/563030536.db2.gz	MWZZJPMGNLODSN-HSZRJFAPSA-N	0	1	430.552	2.661	1	0		IFAFMN
O=S(=O)(c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1F)Cc1cnc[nH]1	ZINC000026661039	563035024	/nfs/dbraw/zinc/03/50/24/563035024.db2.gz	SSPOEJNIXCJANS-UHFFFAOYSA-N	0	1	444.532	2.819	1	0		IFAFMN
CN(CCn1c(=O)[nH]c2ccccc2c1=O)C[C@@H]1CCc2c(c3ccccc3n2C)C1=O	ZINC000027738781	563046476	/nfs/dbraw/zinc/04/64/76/563046476.db2.gz	ISTQPZLQGMYCSA-INIZCTEOSA-N	0	1	430.508	2.559	1	0		IFAFMN
Nc1nc(N)c2c(cccc2OCC2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1	ZINC000028971807	563071268	/nfs/dbraw/zinc/07/12/68/563071268.db2.gz	AGIWZPGADYOSBO-UHFFFAOYSA-N	0	1	447.948	2.927	1	0		IFAFMN
COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCCO5)CC3)OC2=O)cc1	ZINC000029412201	563079884	/nfs/dbraw/zinc/07/98/84/563079884.db2.gz	JWVMUVVSVGJLFS-FQEVSTJZSA-N	0	1	440.496	2.775	1	0		IFAFMN
CCC(C)(CC)OC(=O)CCNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1	ZINC000034630865	563086602	/nfs/dbraw/zinc/08/66/02/563086602.db2.gz	RDFDOTFEEZLXTI-SNVBAGLBSA-N	0	1	436.349	2.615	1	0		IFAFMN
Cc1cccc(CN2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1	ZINC000040556654	563104589	/nfs/dbraw/zinc/10/45/89/563104589.db2.gz	JGCRLLPNGHFAAH-HSZRJFAPSA-N	0	1	427.499	2.570	1	0		IFAFMN
COc1c(O)cc2c(O)c1C[C@@H](C)OC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N2	ZINC000040763985	563106487	/nfs/dbraw/zinc/10/64/87/563106487.db2.gz	VNQYIWZZSQQBKT-MRVPVSSYSA-N	0	1	437.832	2.844	1	0		IFAFMN
Cc1cc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1	ZINC000059434680	563146550	/nfs/dbraw/zinc/14/65/50/563146550.db2.gz	NDTLYUBXPSNCLO-DEOSSOPVSA-N	0	1	446.551	2.964	3	0		IFAFMN
O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CCOCC3)cc2)cc1	ZINC000066078423	563157762	/nfs/dbraw/zinc/15/77/62/563157762.db2.gz	UJALODIJGUMCKQ-UHFFFAOYSA-N	0	1	436.556	2.582	1	0		IFAFMN
CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5C(N)=O)n4n3)cc2)CC1	ZINC000072178880	563166368	/nfs/dbraw/zinc/16/63/68/563166368.db2.gz	AEDAFPKEIJOTMX-UHFFFAOYSA-N	0	1	427.512	2.991	1	0		IFAFMN
NC(=O)CN1CCC(c2ccc(Nc3ncc4ccc(-c5ncccn5)n4n3)cc2)CC1	ZINC000082152476	563173353	/nfs/dbraw/zinc/17/33/53/563173353.db2.gz	HENGJELRUQAYJK-UHFFFAOYSA-N	0	1	428.500	2.595	1	0		IFAFMN
NC(=O)CN1CCC(c2ccc(Nc3ncc4ccc(-c5cnccn5)n4n3)cc2)CC1	ZINC000082158110	563173871	/nfs/dbraw/zinc/17/38/71/563173871.db2.gz	CRNDZINQKKIWHU-UHFFFAOYSA-N	0	1	428.500	2.595	1	0		IFAFMN
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(OC)c3)c2)cnc1N	ZINC000095577741	563186460	/nfs/dbraw/zinc/18/64/60/563186460.db2.gz	WFDFSRCBAVJPOB-UHFFFAOYSA-N	0	1	447.904	2.548	1	0		IFAFMN
CN(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)c1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1	ZINC000095591770	563190377	/nfs/dbraw/zinc/19/03/77/563190377.db2.gz	FZNNDHNMIKEKCK-FQEVSTJZSA-N	0	1	436.903	2.734	1	0		IFAFMN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC[C@@H]3C)c21	ZINC000002457163	562927849	/nfs/dbraw/zinc/92/78/49/562927849.db2.gz	YRWVSIJBSXXHIG-ZDUSSCGKSA-N	0	1	444.395	2.511	3	0		IFAFMN
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)NC(=O)NC3=O	ZINC000013651638	562999294	/nfs/dbraw/zinc/99/92/94/562999294.db2.gz	XMHOHVNPOLECAR-CVDCTZTESA-N	0	1	448.454	2.571	1	0		IFAFMN
CCCOC(=O)c1ccccc1N1CCN(CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1	ZINC000013861485	563012702	/nfs/dbraw/zinc/01/27/02/563012702.db2.gz	MMIYSPOBJUOORI-NRFANRHFSA-N	0	1	442.560	2.582	1	0		IFAFMN
COc1cccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CCN(C)CC4)c3)CC2)c1	ZINC000026951960	563038139	/nfs/dbraw/zinc/03/81/39/563038139.db2.gz	STYJMJOOLDPYHP-UHFFFAOYSA-N	0	1	439.560	2.810	1	0		IFAFMN
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)[NH2+]CC(=O)[O-])C(=O)Nc1ccccc1	ZINC000027889046	563047950	/nfs/dbraw/zinc/04/79/50/563047950.db2.gz	IEJUQNIPUKZOAL-SFTDATJTSA-N	0	1	425.529	2.832	1	0		IFAFMN
Nc1nc(N)c2c(cccc2OCC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1	ZINC000028971812	563071273	/nfs/dbraw/zinc/07/12/73/563071273.db2.gz	UVNWEBGFOOULDH-UHFFFAOYSA-N	0	1	447.948	2.927	1	0		IFAFMN
CS(=O)(=O)[N-]c1ccccc1OC[C@@H](O)C[NH2+]CCc1ccc(Cl)c(Cl)c1	ZINC000034352231	563086240	/nfs/dbraw/zinc/08/62/40/563086240.db2.gz	BMURNNVCEDFRDD-AWEZNQCLSA-N	0	1	433.357	2.937	1	0		IFAFMN
NCC(=O)Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1	ZINC000040862184	563108346	/nfs/dbraw/zinc/10/83/46/563108346.db2.gz	FORDAHCNACZSJT-UHFFFAOYSA-N	0	1	433.468	2.658	1	0		IFAFMN
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CC(C)C)CC1	ZINC000040934072	563112288	/nfs/dbraw/zinc/11/22/88/563112288.db2.gz	XLFHKDHAKUZOCQ-UHFFFAOYSA-N	0	1	425.957	2.962	1	0		IFAFMN
O=C([N-]c1ccn(CCC[NH2+]Cc2ccc3c(c2)OCO3)c(=O)n1)OCc1ccccc1	ZINC000061936083	563150901	/nfs/dbraw/zinc/15/09/01/563150901.db2.gz	MJDPUDXUVUCCPQ-UHFFFAOYSA-N	0	1	436.468	2.901	3	0		IFAFMN
CCCS(=O)(=O)Nc1cc(F)cc(C(=O)Nc2cnc3n[nH]c(OC)c3c2)c1F	ZINC000072178914	563166372	/nfs/dbraw/zinc/16/63/72/563166372.db2.gz	PREGAMPTNSRJSM-UHFFFAOYSA-N	0	1	425.417	2.649	1	0		IFAFMN
O=C(Cc1ccccn1)N1CCCC[N@H+]2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1	ZINC000095875196	563194858	/nfs/dbraw/zinc/19/48/58/563194858.db2.gz	HHLDRMSRJWVWNH-JAXLGGSGSA-N	0	1	444.373	2.838	1	0		IFAFMN
Cc1nc(C)c(-c2[nH]nc3c2C(=O)c2c-3cccc2NC(=O)NN2CCN(C)CC2)s1	ZINC000000595002	562918423	/nfs/dbraw/zinc/91/84/23/562918423.db2.gz	KRKQVGZXTNLQSV-UHFFFAOYSA-N	0	1	437.529	2.645	1	0	in-vivo	IFAFMN
COc1ccccc1N1CCN(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1	ZINC000000836545	562919322	/nfs/dbraw/zinc/91/93/22/562919322.db2.gz	FBDANPRMCCLYRK-UHFFFAOYSA-N	0	1	439.560	2.810	1	0		IFAFMN
CCCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2	ZINC000003989620	562940508	/nfs/dbraw/zinc/94/05/08/562940508.db2.gz	OYYLRSIEFZQBJI-FQEVSTJZSA-N	0	1	443.588	2.966	1	0		IFAFMN
O=C(CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1)Nc1ccccc1Cl	ZINC000013520216	562991273	/nfs/dbraw/zinc/99/12/73/562991273.db2.gz	JFUWDJIJFITURH-UHFFFAOYSA-N	0	1	435.914	2.987	3	0		IFAFMN
CN1CCN(c2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)c[nH]c3=O)cc2)CC1	ZINC000013680572	563000861	/nfs/dbraw/zinc/00/08/61/563000861.db2.gz	OLQJOCFRZLUUEL-UHFFFAOYSA-N	0	1	432.480	2.775	1	0		IFAFMN
COCCOCC[N@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000013746882	563004180	/nfs/dbraw/zinc/00/41/80/563004180.db2.gz	PUULHSKEAHPNQB-AJSBUHFISA-N	0	1	443.496	2.928	1	0		IFAFMN
Nc1nc(-c2cccc(N3CCC(N4CCOCC4)CC3)c2)cc2nc(-c3ccco3)nn21	ZINC000028118407	563051023	/nfs/dbraw/zinc/05/10/23/563051023.db2.gz	DZAJAXMVYWGGFN-UHFFFAOYSA-N	0	1	445.527	2.935	1	0		IFAFMN
CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4snnc4C)n[nH]c2-3)C(=O)O1	ZINC000028949220	563069397	/nfs/dbraw/zinc/06/93/97/563069397.db2.gz	FSSZAHJZGXJJHL-HNNXBMFYSA-N	0	1	438.513	2.854	1	0		IFAFMN
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)c3c(C)noc3C)C(=O)[O-])cc2)[nH+]1	ZINC000043197736	563119365	/nfs/dbraw/zinc/11/93/65/563119365.db2.gz	SXOHFYRRZAGKRM-IBGZPJMESA-N	0	1	438.484	2.775	1	0		IFAFMN
O=c1[nH]c2ccccc2n1C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1	ZINC000045496911	563134526	/nfs/dbraw/zinc/13/45/26/563134526.db2.gz	HWZDNTLZVCRSLF-UHFFFAOYSA-N	0	1	440.569	2.820	1	0		IFAFMN
Cc1cc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)on1	ZINC000059434681	563146534	/nfs/dbraw/zinc/14/65/34/563146534.db2.gz	NDTLYUBXPSNCLO-XMMPIXPASA-N	0	1	446.551	2.964	3	0		IFAFMN
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCO)C(=O)[C@](C)(c1ccccc1)O2	ZINC000064453914	563153566	/nfs/dbraw/zinc/15/35/66/563153566.db2.gz	DUQIAFSRNOQZQX-DEOSSOPVSA-N	0	1	433.512	2.894	1	0		IFAFMN
N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ncnc3ccccc32)CC1	ZINC000064539886	563155168	/nfs/dbraw/zinc/15/51/68/563155168.db2.gz	WPFXHVHQELNYAY-GOSISDBHSA-N	0	1	429.446	2.867	1	0		IFAFMN
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3C)c2)cnc1N	ZINC000095574802	563185449	/nfs/dbraw/zinc/18/54/49/563185449.db2.gz	LFOKRWIYRIYGNF-UHFFFAOYSA-N	0	1	449.895	2.987	1	0		IFAFMN
C[C@H]1CN(Cc2ccc([N-]S(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CC[NH2+]1	ZINC000095598501	563192195	/nfs/dbraw/zinc/19/21/95/563192195.db2.gz	LRFZHQJZDRLBGA-SFHVURJKSA-N	0	1	429.590	2.666	1	0		IFAFMN
CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2[N@H+]1CCC	ZINC000095879388	563194850	/nfs/dbraw/zinc/19/48/50/563194850.db2.gz	HWNJZFGSXCBBJP-KEIPIJCRSA-N	0	1	435.568	2.919	1	0		IFAFMN
CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1CCC	ZINC000095879388	563194852	/nfs/dbraw/zinc/19/48/52/563194852.db2.gz	HWNJZFGSXCBBJP-KEIPIJCRSA-N	0	1	435.568	2.919	1	0		IFAFMN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@H]3CCCN3CC)c21	ZINC000002459214	562928005	/nfs/dbraw/zinc/92/80/05/562928005.db2.gz	HCDWVCUANCUKLS-OAHLLOKOSA-N	0	1	444.395	2.511	3	0		IFAFMN
CCn1cc(CNC(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cn1	ZINC000013636599	562998282	/nfs/dbraw/zinc/99/82/82/562998282.db2.gz	UQVOAJKWJYUJBP-DEOSSOPVSA-N	0	1	445.567	2.542	3	0		IFAFMN
O=C1Nc2cc3c(cc2O[C@@H]1CCCN1CCN(c2ccc(F)cc2)CC1)OCCO3	ZINC000013780771	563006566	/nfs/dbraw/zinc/00/65/66/563006566.db2.gz	ROKNHTINHHYTFM-LJQANCHMSA-N	0	1	427.476	2.899	1	0		IFAFMN
CC(=O)OCCN1CCN(C[C@@H]2c3c(c(C)c(C)c(OC(C)=O)c3C)OC2(C)C)CC1	ZINC000022934291	563026414	/nfs/dbraw/zinc/02/64/14/563026414.db2.gz	MNQXTSAKMDYOIF-HXUWFJFHSA-N	0	1	432.561	2.972	1	0		IFAFMN
N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1	ZINC000026158283	563029162	/nfs/dbraw/zinc/02/91/62/563029162.db2.gz	AXEYQIQVIRZLKE-JOCHJYFZSA-N	0	1	441.597	2.824	1	0		IFAFMN
COc1cc(OC[C@H](O)CN2CCN(c3ccc(C)c(C)c3)CC2)cc(OC)c1OC	ZINC000026750015	563036510	/nfs/dbraw/zinc/03/65/10/563036510.db2.gz	ACLTXLPIMJKDPC-HXUWFJFHSA-N	0	1	430.545	2.891	1	0		IFAFMN
CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2nccs2)ccc1O	ZINC000026830068	563037113	/nfs/dbraw/zinc/03/71/13/563037113.db2.gz	FEAIEGLSRLTACR-MJGOQNOKSA-N	0	1	433.555	2.827	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccncc2)ccc1O	ZINC000026830467	563037186	/nfs/dbraw/zinc/03/71/86/563037186.db2.gz	OSOPVAHQCXJRQE-UGKGYDQZSA-N	0	1	427.526	2.766	1	0		IFAFMN
CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccncc2)ccc1O	ZINC000026830475	563037206	/nfs/dbraw/zinc/03/72/06/563037206.db2.gz	OSOPVAHQCXJRQE-KNQAVFIVSA-N	0	1	427.526	2.766	1	0		IFAFMN
C[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1)C(=O)NCCc1ccccc1	ZINC000028220498	563051702	/nfs/dbraw/zinc/05/17/02/563051702.db2.gz	POTPSEYTYFJVAU-WPSZSDGUSA-N	0	1	442.563	2.901	1	0		IFAFMN
CN1CCN(CNC(=O)c2n[nH]c3c2C[C@@H]2[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]32C)CC1	ZINC000028528603	563057180	/nfs/dbraw/zinc/05/71/80/563057180.db2.gz	RKHKHZBNBPXUKB-GDLBMTQOSA-N	0	1	449.599	2.620	1	0		IFAFMN
COc1ccc2c(=O)cc(C(=O)NC[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C3)oc2c1	ZINC000036351832	563093397	/nfs/dbraw/zinc/09/33/97/563093397.db2.gz	BVDNHCGBDQQNEK-INIZCTEOSA-N	0	1	436.464	2.782	1	0		IFAFMN
CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)NCc1ccccc1	ZINC000036388114	563094737	/nfs/dbraw/zinc/09/47/37/563094737.db2.gz	XPXHLUATXYTINU-UHFFFAOYSA-N	0	1	429.521	2.765	3	0		IFAFMN
COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@H](C)N(C(=O)CN)C2(C)C)c1	ZINC000040424032	563102859	/nfs/dbraw/zinc/10/28/59/563102859.db2.gz	AVXGQHVURUOTAB-HOTGVXAUSA-N	0	1	427.549	2.578	1	0		IFAFMN
CN(C)c1cc2[nH]c(=O)c(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)c(N)c2cc1F	ZINC000040429734	563103327	/nfs/dbraw/zinc/10/33/27/563103327.db2.gz	FHBAYWUJAVGYJR-UHFFFAOYSA-N	0	1	435.507	2.611	1	0		IFAFMN
Cc1cc(C(=O)N2CC(O)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O	ZINC000040891886	563110031	/nfs/dbraw/zinc/11/00/31/563110031.db2.gz	WGQJLWUFEODORK-GOSISDBHSA-N	0	1	430.888	2.854	1	0		IFAFMN
CN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)c(Cl)c2)CC1=O	ZINC000040935399	563112664	/nfs/dbraw/zinc/11/26/64/563112664.db2.gz	CBZNXWJCEVYEBJ-UHFFFAOYSA-N	0	1	442.324	2.708	1	0		IFAFMN
COc1ccccc1N1CCN(CCCN2C(=O)[C@@H]3Nc4ccccc4[C@H]3N(C)C2=O)CC1	ZINC000040980209	563115551	/nfs/dbraw/zinc/11/55/51/563115551.db2.gz	LOPOWGDCEGLSLV-DHIUTWEWSA-N	0	1	449.555	2.637	1	0		IFAFMN
CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)cn2)CC1	ZINC000045484350	563134258	/nfs/dbraw/zinc/13/42/58/563134258.db2.gz	WZXCTBCNPJNABZ-STZFKDTASA-N	0	1	429.480	2.816	1	0		IFAFMN
O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1-c1cccc(C(F)(F)F)c1	ZINC000059860642	563146813	/nfs/dbraw/zinc/14/68/13/563146813.db2.gz	WISGUJCLYGCHLT-UHFFFAOYSA-N	0	1	430.430	2.867	3	0		IFAFMN
COc1ccc(-c2cc(NC(=O)[C@@H](C)CCC[N@H+]3CCCN(C(C)=O)CC3)n[nH]2)cc1	ZINC000084731708	563178626	/nfs/dbraw/zinc/17/86/26/563178626.db2.gz	KELGFUJORMNBDM-KRWDZBQOSA-N	0	1	427.549	2.994	1	0		IFAFMN
CN1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)c3ccccc3)C4)cc2)CC1	ZINC000095603908	563193555	/nfs/dbraw/zinc/19/35/55/563193555.db2.gz	TXBJIOWQTZOEQT-UHFFFAOYSA-N	0	1	430.512	2.570	1	0		IFAFMN
C[C@H](O)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(C)(=O)=O)c2F)n1	ZINC000096174603	563196143	/nfs/dbraw/zinc/19/61/43/563196143.db2.gz	YMIRHCWJMCLISL-NSHDSACASA-N	0	1	446.508	2.714	1	0		IFAFMN
CC[C@@H](C)NC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O	ZINC000004654436	562943429	/nfs/dbraw/zinc/94/34/29/562943429.db2.gz	RSZIEWFFKVHYGW-CQSZACIVSA-N	0	1	425.510	2.808	1	0		IFAFMN
N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1	ZINC000013583509	562994957	/nfs/dbraw/zinc/99/49/57/562994957.db2.gz	MEWPEMCLAQRYBC-DQEYMECFSA-N	0	1	443.547	2.574	1	0		IFAFMN
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@@H](NC(=O)C(F)(F)F)CC2	ZINC000013650181	562999016	/nfs/dbraw/zinc/99/90/16/562999016.db2.gz	KPUQFELWTOHGSX-AWEZNQCLSA-N	0	1	438.402	2.988	1	0		IFAFMN
O=C(CCCOc1ccc2[nH]c3nc(=O)[n-]c-3cc2c1)N1CC[NH+](CC2CCCC2)CC1	ZINC000013725841	563001329	/nfs/dbraw/zinc/00/13/29/563001329.db2.gz	ACBWCOMSMHDCGQ-UHFFFAOYSA-N	0	1	437.544	2.898	1	0		IFAFMN
Cc1[nH]nc2ccc(CNC(=O)Cn3c(C)cnc(NCCc4ccccc4)c3=O)cc12	ZINC000013818865	563009783	/nfs/dbraw/zinc/00/97/83/563009783.db2.gz	IIAJZMJWNROMQQ-UHFFFAOYSA-N	0	1	430.512	2.707	1	0		IFAFMN
CCCCOc1ccccc1N1CCN(CCCCN2CC(=O)N3CCC[C@@H]3C2=O)CC1	ZINC000013861497	563012722	/nfs/dbraw/zinc/01/27/22/563012722.db2.gz	XGYUTJDHIDWLGV-JOCHJYFZSA-N	0	1	442.604	2.601	1	0		IFAFMN
NC(=O)[C@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000022446486	563025552	/nfs/dbraw/zinc/02/55/52/563025552.db2.gz	COARACZJPUUEKP-DEOSSOPVSA-N	0	1	443.555	2.525	1	0		IFAFMN
NC(=O)[C@@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000022939240	563026721	/nfs/dbraw/zinc/02/67/21/563026721.db2.gz	COARACZJPUUEKP-XMMPIXPASA-N	0	1	443.555	2.525	1	0		IFAFMN
CS(=O)(=O)Nc1cc([C@@H](O)CN[C@@H](Cc2ccccc2)c2nccs2)ccc1O	ZINC000026830060	563037094	/nfs/dbraw/zinc/03/70/94/563037094.db2.gz	FEAIEGLSRLTACR-HKUYNNGSSA-N	0	1	433.555	2.827	1	0		IFAFMN
CCn1cnc(CCNc2cc[nH]c(=O)c2-c2nc3c(cc(N4CCOCC4)cc3C)[nH]2)c1	ZINC000029040915	563072057	/nfs/dbraw/zinc/07/20/57/563072057.db2.gz	XPTGLYUBKGLQML-UHFFFAOYSA-N	0	1	447.543	2.934	1	0		IFAFMN
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1nc(-c2cccnc2)no1	ZINC000029043546	563072337	/nfs/dbraw/zinc/07/23/37/563072337.db2.gz	IOEIINOZIPVOND-UHFFFAOYSA-N	0	1	426.908	2.727	1	0		IFAFMN
O=C(NCc1cccc(CNC(=O)OCCCc2cnc[nH]2)c1)OCCCc1c[nH]cn1	ZINC000036289069	563092595	/nfs/dbraw/zinc/09/25/95/563092595.db2.gz	ANTZCCLUSVYIOC-UHFFFAOYSA-N	0	1	440.504	2.851	1	0		IFAFMN
Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4[nH]cnc43)CC2)cc1	ZINC000036381489	563093761	/nfs/dbraw/zinc/09/37/61/563093761.db2.gz	ZRVWUUJDOGOYGQ-UHFFFAOYSA-N	0	1	440.554	2.901	1	0		IFAFMN
CCNC(=O)Nc1nc2c(cc(-n3cnc(C(=O)NC4CC4)c3)cc2-c2ccccn2)[nH]1	ZINC000040421520	563102362	/nfs/dbraw/zinc/10/23/62/563102362.db2.gz	XTMGTPTXHXWURI-UHFFFAOYSA-N	0	1	430.472	2.844	1	0		IFAFMN
COCCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)CSC(C)=O)cn2)cc1	ZINC000042878310	563115826	/nfs/dbraw/zinc/11/58/26/563115826.db2.gz	RCTSTPPUISNYKJ-UHFFFAOYSA-N	0	1	438.527	2.760	1	0		IFAFMN
O=C1Cc2c(ccc3c2OC[C@@H](CN2CCC(Oc4ccc5c(c4)NC(=O)CC5)CC2)O3)N1	ZINC000049052025	563136981	/nfs/dbraw/zinc/13/69/81/563136981.db2.gz	AYQVGSWWMXHYHH-GOSISDBHSA-N	0	1	449.507	2.749	1	0		IFAFMN
O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1ccc(F)cc1	ZINC000064415730	563152871	/nfs/dbraw/zinc/15/28/71/563152871.db2.gz	WJSLAVJCDJVONB-UHFFFAOYSA-N	0	1	430.911	2.637	1	0		IFAFMN
CN(C)c1ccc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c2c1	ZINC000064548791	563155509	/nfs/dbraw/zinc/15/55/09/563155509.db2.gz	YBVYGYMUOBEMHX-HXUWFJFHSA-N	0	1	438.963	2.568	1	0		IFAFMN
CNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccccn4)CC3)[C@@H](C)C2)c(Cl)c1	ZINC000066076686	563157582	/nfs/dbraw/zinc/15/75/82/563157582.db2.gz	ZDFISBSKLYESAY-KRWDZBQOSA-N	0	1	442.995	2.665	1	0		IFAFMN
CC(C)C(=O)O[C@@H]1C[N@H+]2Cc3cc4c(cc3[C@]13C=C[C@@H](OC(=O)C(C)C)C[C@H]23)OCO4	ZINC000084731190	563178666	/nfs/dbraw/zinc/17/86/66/563178666.db2.gz	QMJKRIHLFYLRBO-RNYZOKIBSA-N	0	1	427.497	2.946	1	0		IFAFMN
CC(C)C(=O)O[C@@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@@H](OC(=O)C(C)C)C[C@H]23)OCO4	ZINC000084731190	563178667	/nfs/dbraw/zinc/17/86/67/563178667.db2.gz	QMJKRIHLFYLRBO-RNYZOKIBSA-N	0	1	427.497	2.946	1	0		IFAFMN
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)c(F)c3)[C@@H]2O)c1	ZINC000084739728	563179046	/nfs/dbraw/zinc/17/90/46/563179046.db2.gz	MBOBLSSYUAFPMA-WTNAPCKOSA-N	0	1	434.577	2.812	1	0		IFAFMN
CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3)c2)cnc1N	ZINC000095574248	563185229	/nfs/dbraw/zinc/18/52/29/563185229.db2.gz	FVEKEQIPCZDRBX-UHFFFAOYSA-N	0	1	435.868	2.679	1	0		IFAFMN