smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(Cc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000003820512	561683348	/nfs/dbraw/zinc/68/33/48/561683348.db2.gz	PRBMKJZQAUSBQV-UHFFFAOYSA-N	0	3	531.675	2.874	1	30		KFEFHN
CNC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)N[O-]	ZINC000003944028	561689753	/nfs/dbraw/zinc/68/97/53/561689753.db2.gz	QKOVHOITGZCHQW-VXNXHJTFSA-N	0	3	524.666	2.572	1	30		KFEFHN
N#CNC(=NCCCOc1cccc(CN2CCCCC2)c1)NC[C@H](O)CNc1ccccc1[N+](=O)[O-]	ZINC000013456525	561713597	/nfs/dbraw/zinc/71/35/97/561713597.db2.gz	FRNPSMZGALUWGF-JOCHJYFZSA-N	0	3	509.611	2.839	1	30		KFEFHN
N#CNC(=NCCCOc1cccc(CN2CCCCC2)c1)NC[C@@H](O)CNc1ccccc1[N+](=O)[O-]	ZINC000013456528	561713639	/nfs/dbraw/zinc/71/36/39/561713639.db2.gz	FRNPSMZGALUWGF-QFIPXVFZSA-N	0	3	509.611	2.839	1	30		KFEFHN
Cc1ccc(S(=O)(=O)NCCNC(=NCCCOc2cccc(CN3CCCCC3)c2)NC#N)cc1	ZINC000013456633	561713832	/nfs/dbraw/zinc/71/38/32/561713832.db2.gz	RUCUZMLWCCTRPH-UHFFFAOYSA-N	0	3	512.680	2.745	1	30		KFEFHN
N#CNC(=NCCCCOc1cccc(CN2CCCCC2)c1)NCCNS(=O)(=O)c1ccccc1	ZINC000013456636	561713738	/nfs/dbraw/zinc/71/37/38/561713738.db2.gz	AEEXSDDDKFLWGP-UHFFFAOYSA-N	0	3	512.680	2.826	1	30		KFEFHN
CSCC[C@H](NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C[C@H](/C=C/[C@@H]([NH3+])CS)C(C)C)C(=O)[O-]	ZINC000026247983	561773652	/nfs/dbraw/zinc/77/36/52/561773652.db2.gz	NWNLGHVZFIYUBN-NCELGYRZSA-N	0	3	509.738	2.916	1	30		KFEFHN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](OC(=O)NCCN1CCCCC1)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000026660730	561810312	/nfs/dbraw/zinc/81/03/12/561810312.db2.gz	SUPYJIZPADRWLK-WYEYVKMPSA-N	0	3	564.720	2.740	1	30		KFEFHN
CCCCC1=NC2(CCN(C(=O)[C@@H](N)CCCNC(N)=[NH2+])CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000026996087	561833233	/nfs/dbraw/zinc/83/32/33/561833233.db2.gz	ZRTZOFLISQZDAV-VWLOTQADSA-N	0	3	575.714	2.725	1	30		KFEFHN
CCCCC1=NC2(CCN(C(=O)[C@H](N)CCCNC(N)=[NH2+])CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000026996093	561833242	/nfs/dbraw/zinc/83/32/42/561833242.db2.gz	ZRTZOFLISQZDAV-RUZDIDTESA-N	0	3	575.714	2.725	1	30		KFEFHN
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCN1CCN(CCOCc2ccc(O)c(C(N)=O)c2)CC1	ZINC000027563580	561871446	/nfs/dbraw/zinc/87/14/46/561871446.db2.gz	CHYDIIJOGHRMPC-UHFFFAOYSA-N	0	3	646.667	2.780	1	30		KFEFHN
CCOC(=O)C1=C(COCCNC(=NCCN(C)C)NC#N)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	ZINC000027650661	561876564	/nfs/dbraw/zinc/87/65/64/561876564.db2.gz	BQMIVOVXQRKEKX-LFIUJEBDSA-N	0	3	547.056	2.726	1	30		KFEFHN
CCOC(=O)C1=C(COCCNC(=NCCN(C)C)NC#N)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl	ZINC000027650666	561876582	/nfs/dbraw/zinc/87/65/82/561876582.db2.gz	BQMIVOVXQRKEKX-SCXRQHMSSA-N	0	3	547.056	2.726	1	30		KFEFHN
COc1cccc(-n2c(=O)n(Cc3c(Cl)cccc3C#N)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1F	ZINC000028114991	561903644	/nfs/dbraw/zinc/90/36/44/561903644.db2.gz	SWCPWEBJMMWDDP-FQEVSTJZSA-N	0	3	521.936	2.582	1	30		KFEFHN
C=CCN[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NCC=C	ZINC000028816964	561964474	/nfs/dbraw/zinc/96/44/74/561964474.db2.gz	LRTMETRSFGLQOB-NSOVKSMOSA-N	0	3	522.690	2.964	1	30		KFEFHN
CCCCS(=O)(=O)C[C@@H](NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817396	561964774	/nfs/dbraw/zinc/96/47/74/561964774.db2.gz	HDSWAYTVBYZPAG-UPRLRBBYSA-N	0	3	622.735	2.929	1	30		KFEFHN
CCCCS(=O)(=O)C[C@H](NC(=O)OCCC#N)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1	ZINC000028817398	561964795	/nfs/dbraw/zinc/96/47/95/561964795.db2.gz	HDSWAYTVBYZPAG-HZFUHODCSA-N	0	3	622.735	2.929	1	30		KFEFHN
C=CCNC(=O)C1(N(CCCN2CCOCC2)C(=O)c2cccnc2)CCN(Cc2ccccc2)CC1	ZINC000028953325	561982333	/nfs/dbraw/zinc/98/23/33/561982333.db2.gz	HEXYXJASNXEBAG-UHFFFAOYSA-N	0	3	505.663	2.583	1	30		KFEFHN
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(CCN(C)C)CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1	ZINC000028979377	561988193	/nfs/dbraw/zinc/98/81/93/561988193.db2.gz	GPMYKOGAWSCJCE-AZGAKELHSA-N	0	3	505.619	2.610	1	30		KFEFHN
COC[C@H]1OC(=O)C(CNC(C)(C)C)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C	ZINC000029134673	562004243	/nfs/dbraw/zinc/00/42/43/562004243.db2.gz	YYEDILUQYWGXJC-VPWWIQQVSA-N	0	3	503.592	2.641	1	30		KFEFHN
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(NC(=N)N)n3)C2=O)c1	ZINC000029211010	562005811	/nfs/dbraw/zinc/00/58/11/562005811.db2.gz	HTNVOFNARQMQGV-PMERELPUSA-N	0	3	712.862	2.854	1	30		KFEFHN
Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)NCC(=O)NCCSCc3csc(NC(=N)N)n3)C2=O)c1	ZINC000029211016	562005770	/nfs/dbraw/zinc/00/57/70/562005770.db2.gz	HTNVOFNARQMQGV-SSEXGKCCSA-N	0	3	712.862	2.854	1	30		KFEFHN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(=O)CCCN1CCCCC1)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000029550030	562030812	/nfs/dbraw/zinc/03/08/12/562030812.db2.gz	JWEQLXBVUURYJO-OJNHPKAKSA-N	0	3	521.695	2.766	1	30		KFEFHN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](OC(=O)CCCN1CCCCC1)[C@H](O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C	ZINC000029558678	562032637	/nfs/dbraw/zinc/03/26/37/562032637.db2.gz	DCTJAQKIKCPWCS-OJNHPKAKSA-N	0	3	521.695	2.766	1	30		KFEFHN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CC[C@H](OCCN(CC)CC)[C@]12C	ZINC000040802435	562079853	/nfs/dbraw/zinc/07/98/53/562079853.db2.gz	ARLGBESLCKEWPV-QQYZDZQSSA-N	0	3	509.684	2.886	1	30		KFEFHN
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CC[C@H](OCCN(CC)CC)[C@]12C	ZINC000040802439	562079874	/nfs/dbraw/zinc/07/98/74/562079874.db2.gz	ARLGBESLCKEWPV-HODWLZJBSA-N	0	3	509.684	2.886	1	30		KFEFHN
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cncc(C#N)c2)cc(N2CCCCS2(=O)=O)c1	ZINC000042805252	562089040	/nfs/dbraw/zinc/08/90/40/562089040.db2.gz	YNNNGZRXTAOFAM-URLMMPGGSA-N	0	3	576.723	2.807	1	30		KFEFHN
CCCCCCCC(=O)O[C@@H]1C(=O)C(C)=C2C1[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O	ZINC000043481868	562648676	/nfs/dbraw/zinc/64/86/76/562648676.db2.gz	XNBDVEYCJNKBFD-BDJWQVDKSA-N	0	3	566.644	2.619	1	30		KFEFHN
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCNC(N)=[NH2+])c3Cl)c2n1	ZINC000043524510	562649040	/nfs/dbraw/zinc/64/90/40/562649040.db2.gz	WCNOAGVLEPKEGH-UHFFFAOYSA-N	0	3	567.499	2.876	1	30		KFEFHN
C=C[C@]1(C)C[C@@H](OC(=O)CN2CCN(C(=O)CCn3cnc4c3ncnc4N3CCNCC3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000049599757	562664976	/nfs/dbraw/zinc/66/49/76/562664976.db2.gz	AFECDASYHAGKNV-PQQXIMKTSA-N	0	3	704.917	2.677	1	30		KFEFHN
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CC(O)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C	ZINC000049599989	562665014	/nfs/dbraw/zinc/66/50/14/562665014.db2.gz	PLTSBEYMHCROKV-JJHAZLPYSA-N	0	3	622.844	2.937	1	30		KFEFHN
CC[C@H](N)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC#N	ZINC000049694785	562669751	/nfs/dbraw/zinc/66/97/51/562669751.db2.gz	LHNHJCMAMFMGRA-VEGWMBEDSA-N	0	3	501.631	2.798	1	30		KFEFHN
CCCCCCCCCCCCCCCC(=O)N1[C@@H](CN)O[C@H]([C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H]1C(=O)OC(C)(C)C	ZINC000049775243	562678993	/nfs/dbraw/zinc/67/89/93/562678993.db2.gz	AJGWUKCSGBSLAN-UREGFOCQSA-N	0	3	652.830	2.860	1	30		KFEFHN
CCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)Nc1ccccc1N	ZINC000049777408	562680003	/nfs/dbraw/zinc/68/00/03/562680003.db2.gz	WGDHJHAMACMJTJ-AWCRTANDSA-N	0	3	651.813	2.507	1	30		KFEFHN
CCCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)Nc1ccccc1N	ZINC000049777408	562680002	/nfs/dbraw/zinc/68/00/02/562680002.db2.gz	WGDHJHAMACMJTJ-AWCRTANDSA-N	0	3	651.813	2.507	1	30		KFEFHN
CCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)NCCCn2ccnc2)cc1	ZINC000049781179	562682765	/nfs/dbraw/zinc/68/27/65/562682765.db2.gz	RDKSSWXUEDSUFS-AFEGWXKPSA-N	0	3	746.914	2.601	1	30		KFEFHN
CCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CO)C(=O)NCCCn2ccnc2)cc1	ZINC000049781179	562682764	/nfs/dbraw/zinc/68/27/64/562682764.db2.gz	RDKSSWXUEDSUFS-AFEGWXKPSA-N	0	3	746.914	2.601	1	30		KFEFHN
CCCCCCCCCCOC(=O)c1ccccc1CS(=O)(=O)[N-][C@H]1CCCCN(CC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)C1=O	ZINC000049877900	562690323	/nfs/dbraw/zinc/69/03/23/562690323.db2.gz	DIADOEUKGBTXJB-FEVNIDIWSA-N	0	3	664.870	2.577	1	30		KFEFHN
CCCCCCCCCCOC(=O)c1ccccc1CS(=O)(=O)[N-][C@H]1CCCCN(CC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@H]2O)C1=O	ZINC000049877903	562690305	/nfs/dbraw/zinc/69/03/05/562690305.db2.gz	DIADOEUKGBTXJB-VWYPKUQYSA-N	0	3	664.870	2.577	1	30		KFEFHN
Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)N4CCN(CCNC(N)=[NH2+])CC4)c3Cl)c2n1	ZINC000049938392	562695238	/nfs/dbraw/zinc/69/52/38/562695238.db2.gz	MJEAYKOHKNVCFD-UHFFFAOYSA-N	0	3	636.606	2.904	1	30		KFEFHN
C=CCN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1	ZINC000053294551	562697292	/nfs/dbraw/zinc/69/72/92/562697292.db2.gz	YJKZSHWCMHPIQM-UVMMSNCQSA-N	0	3	608.805	2.892	1	30		KFEFHN
CC(C)[C@H](N)C(=O)ONC(=N)c1ccc(OCCCCCOc2ccc(C(=N)NOC(=O)[C@@H](N)C(C)C)cc2)cc1	ZINC000066075272	562709944	/nfs/dbraw/zinc/70/99/44/562709944.db2.gz	OXPMCNJABSKCMN-DQEYMECFSA-N	0	3	570.691	2.608	1	30		KFEFHN
C=CCO[C@]1(C)C[C@@H](C)C(=O)N[C@H](C)[C@H](O)[C@@](C)(OCC=C)[C@@H](CC)OC(=O)C(C)=C([O-])[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O	ZINC000072148964	562729996	/nfs/dbraw/zinc/72/99/96/562729996.db2.gz	KRMBMAUQVSZZLV-ZKBVTMSLSA-N	0	3	668.869	2.789	1	30		KFEFHN
CNC(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C#C[C@]4(O)CN5CCC4CC5)cc3)cc2)CC1	ZINC000073220490	562736269	/nfs/dbraw/zinc/73/62/69/562736269.db2.gz	QAOWEZMLHINPHR-LJAQVGFWSA-N	0	3	502.615	2.821	1	30		KFEFHN
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O	ZINC000073371250	562738422	/nfs/dbraw/zinc/73/84/22/562738422.db2.gz	OJYOAPFOYMTTSH-UIOOFZCWSA-N	0	3	639.706	2.599	1	30		KFEFHN
N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O	ZINC000073371252	562738436	/nfs/dbraw/zinc/73/84/36/562738436.db2.gz	OJYOAPFOYMTTSH-FTJBHMTQSA-N	0	3	639.706	2.599	1	30		KFEFHN
N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O	ZINC000073371254	562738412	/nfs/dbraw/zinc/73/84/12/562738412.db2.gz	OJYOAPFOYMTTSH-IZZNHLLZSA-N	0	3	639.706	2.599	1	30		KFEFHN
N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O	ZINC000073371257	562738407	/nfs/dbraw/zinc/73/84/07/562738407.db2.gz	OJYOAPFOYMTTSH-CLJLJLNGSA-N	0	3	639.706	2.599	1	30		KFEFHN
CN1CCN(CCCc2ccc(S(=O)(=O)n3c4ccccc4cc3C3(O)C=CC(=O)C=C3)cc2)CC1	ZINC000082153786	562740222	/nfs/dbraw/zinc/74/02/22/562740222.db2.gz	OSJMZVJFLOQGCD-UHFFFAOYSA-N	0	3	505.640	2.941	1	30		KFEFHN
C=CCO[C@@H]1[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@H]1C	ZINC000082159937	562741126	/nfs/dbraw/zinc/74/11/26/562741126.db2.gz	OUBSYMXKYQNYEO-DPLKQASUSA-N	0	3	629.832	2.725	1	30		KFEFHN
CCCCCCCCCCCCCCNCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC	ZINC000084655485	562747550	/nfs/dbraw/zinc/74/75/50/562747550.db2.gz	BOMLJSSZEXSRLD-VXKWHMMOSA-N	0	3	519.749	2.531	1	30		KFEFHN
C=C1[C@H](OC(=O)[C@H](O)[C@H](c2ccccc2)N(C)C)C[C@@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1[C@@H](O)[C@H](O)C(C)=C(C(=O)[C@H]2OC(C)=O)C1(C)C	ZINC000085541392	291751685	/nfs/dbraw/zinc/75/16/85/291751685.db2.gz	ZTQAAYFFZBTOBV-UOUZRKTBSA-N	0	3	641.758	2.675	1	30	biogenic,in-vitro	KFEFHN
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc([O-])c-4c3=O)OC2(C)C)O[C@@H]1CCc1ccnc(N)c1	ZINC000085594073	560064761	/nfs/dbraw/zinc/06/47/61/560064761.db2.gz	TVBMXOXHBAWGEE-XJGOYTCSSA-N	0	3	523.586	2.789	1	30	biogenic,in-vitro	KFEFHN
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c([O-])c4c(=O)cc(C)oc4cc3OC2(C)C)O[C@@H]1CCc1ccnc(N)c1	ZINC000085594073	560064759	/nfs/dbraw/zinc/06/47/59/560064759.db2.gz	TVBMXOXHBAWGEE-XJGOYTCSSA-N	0	3	523.586	2.789	1	30	biogenic,in-vitro	KFEFHN
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc([O-])c-4c3=O)OC2(C)C)O[C@@H]1CCc1ccnc(N)c1	ZINC000085594075	560064888	/nfs/dbraw/zinc/06/48/88/560064888.db2.gz	TVBMXOXHBAWGEE-DQCZWYHMSA-N	0	3	523.586	2.789	1	30	biogenic,in-vitro	KFEFHN
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c([O-])c4c(=O)cc(C)oc4cc3OC2(C)C)O[C@@H]1CCc1ccnc(N)c1	ZINC000085594075	560064887	/nfs/dbraw/zinc/06/48/87/560064887.db2.gz	TVBMXOXHBAWGEE-DQCZWYHMSA-N	0	3	523.586	2.789	1	30	biogenic,in-vitro	KFEFHN
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594080	560064850	/nfs/dbraw/zinc/06/48/50/560064850.db2.gz	KYDNRAPZLRWRBB-BUXYKGQHSA-N	0	3	563.651	2.728	1	30	biogenic,in-vitro	KFEFHN
Cc1cc(=O)c2c([O-])c3c(cc2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594080	560064849	/nfs/dbraw/zinc/06/48/49/560064849.db2.gz	KYDNRAPZLRWRBB-BUXYKGQHSA-N	0	3	563.651	2.728	1	30	biogenic,in-vitro	KFEFHN
Cc1cc([O-])c2c(=O)c3c(cc-2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594082	560064808	/nfs/dbraw/zinc/06/48/08/560064808.db2.gz	KYDNRAPZLRWRBB-WMKNUWDHSA-N	0	3	563.651	2.728	1	30	biogenic,in-vitro	KFEFHN
Cc1cc(=O)c2c([O-])c3c(cc2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@]1(C)O[C@@H]1Cc1cccc(C(N)N)c1)C3	ZINC000085594082	560064807	/nfs/dbraw/zinc/06/48/07/560064807.db2.gz	KYDNRAPZLRWRBB-WMKNUWDHSA-N	0	3	563.651	2.728	1	30	biogenic,in-vitro	KFEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2ccccc2Cl)n[n-]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095542289	562756666	/nfs/dbraw/zinc/75/66/66/562756666.db2.gz	UOJGELUULJYMDX-KVGKYVPFSA-N	0	3	748.289	2.789	1	30		KFEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2cccc(Cl)c2)n[n-]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095542610	562756830	/nfs/dbraw/zinc/75/68/30/562756830.db2.gz	XAICIXVWSSVFLB-FIVJMQNTSA-N	0	3	748.289	2.789	1	30		KFEFHN
NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@@H](CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1	ZINC000095543875	562757514	/nfs/dbraw/zinc/75/75/14/562757514.db2.gz	LTWHRLIKSZPQEL-SKTSAMEXSA-N	0	3	803.962	2.552	1	30		KFEFHN
NCCNC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)[C@H](CCCCCCCCN1C(=O)c2ccccc2C1=O)C1CCCC1	ZINC000095543876	562757512	/nfs/dbraw/zinc/75/75/12/562757512.db2.gz	LTWHRLIKSZPQEL-RDKKHIPBSA-N	0	3	803.962	2.552	1	30		KFEFHN
Cc1nc(N)sc1CCCNC(=[NH2+])[N-]C(=O)CCCCCCCC(=O)N=C(N)NCCCc1sc(N)nc1C	ZINC000095552051	562760536	/nfs/dbraw/zinc/76/05/36/562760536.db2.gz	FVDUUTISXASABV-UHFFFAOYSA-N	0	3	578.813	2.748	1	30		KFEFHN
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1	ZINC000095590014	562775168	/nfs/dbraw/zinc/77/51/68/562775168.db2.gz	WPSMFHOVBQABMZ-VWKWMHJASA-N	0	3	650.780	2.835	1	30		KFEFHN
C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccccc1	ZINC000095590609	562775318	/nfs/dbraw/zinc/77/53/18/562775318.db2.gz	WPSMFHOVBQABMZ-RJILNQQKSA-N	0	3	650.780	2.835	1	30		KFEFHN
Cc1cccc(NC(=O)N[C@H]2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(NC(=N)N)n4)c3)c3ccccc3N(C)C2=O)c1	ZINC000095608687	562783641	/nfs/dbraw/zinc/78/36/41/562783641.db2.gz	SQOFWEYFVZRPBW-WJOKGBTCSA-N	0	3	742.888	2.863	1	30		KFEFHN
Cc1cccc(NC(=O)N[C@@H]2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(NC(=N)N)n4)c3)c3ccccc3N(C)C2=O)c1	ZINC000095608688	562783655	/nfs/dbraw/zinc/78/36/55/562783655.db2.gz	SQOFWEYFVZRPBW-HKBQPEDESA-N	0	3	742.888	2.863	1	30		KFEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nc(NC(=O)C=Cc2c[nH]c3ccccc23)n[n-]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095614448	562786613	/nfs/dbraw/zinc/78/66/13/562786613.db2.gz	QLIIQOCQASSWRH-SENNXDLQSA-N	0	3	752.881	2.617	1	30		KFEFHN
C=C1[C@H]2C[C@@H]3[C@@H](O)[C@H](O)C(C)=C(C(=O)[C@@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)[C@H](O)[C@@H](c1ccccc1)N(C)C)C3(C)C	ZINC000095919256	291751720	/nfs/dbraw/zinc/75/17/20/291751720.db2.gz	ZTQAAYFFZBTOBV-AHZNMWAHSA-N	0	3	641.758	2.675	1	30	biogenic,in-vitro	KFEFHN
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N(c4cccnc4)C4CC[NH2+]CC4)nc3)NC(=O)[N-]C1=O)C2	ZINC000096173669	562791550	/nfs/dbraw/zinc/79/15/50/562791550.db2.gz	MMXWWFALWYCHLP-SSEXGKCCSA-N	0	3	551.607	2.801	1	30		KFEFHN
CN(C)CCSc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1	ZINC000096176133	562792089	/nfs/dbraw/zinc/79/20/89/562792089.db2.gz	BYRJYORSUHLTSN-UHFFFAOYSA-N	0	3	534.592	2.948	1	30		KFEFHN
CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176134	562792100	/nfs/dbraw/zinc/79/21/00/562792100.db2.gz	TYNNMYVYIJHKAW-UHFFFAOYSA-N	0	3	543.578	2.801	1	30		KFEFHN
CN1CCC[C@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1	ZINC000096176135	562792097	/nfs/dbraw/zinc/79/20/97/562792097.db2.gz	YUCJYTFPJFQSPI-NRFANRHFSA-N	0	3	543.578	2.801	1	30		KFEFHN
CN(c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1)C1CCN(C)CC1	ZINC000096176142	562792091	/nfs/dbraw/zinc/79/20/91/562792091.db2.gz	VCLQCNCMGZMZQJ-UHFFFAOYSA-N	0	3	557.605	2.825	1	30		KFEFHN
CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5ccccc5)c4=O)cc3n2)CC1	ZINC000096176145	562792145	/nfs/dbraw/zinc/79/21/45/562792145.db2.gz	QCEZCJMKWBESAX-MUUNZHRXSA-N	0	3	536.636	2.661	1	30		KFEFHN
COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176149	562792103	/nfs/dbraw/zinc/79/21/03/562792103.db2.gz	AVUYSIVKLPGQBS-UHFFFAOYSA-N	0	3	587.631	2.817	1	30		KFEFHN
CN1CCC(Oc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176150	562792147	/nfs/dbraw/zinc/79/21/47/562792147.db2.gz	KMAPURUYUJOBPN-UHFFFAOYSA-N	0	3	544.562	2.768	1	30		KFEFHN
CN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176152	562792154	/nfs/dbraw/zinc/79/21/54/562792154.db2.gz	WHLOIBZHGUNHRA-NDEPHWFRSA-N	0	3	572.616	2.939	1	30		KFEFHN
COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](CO)c5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176159	562792105	/nfs/dbraw/zinc/79/21/05/562792105.db2.gz	TXYVBNGYRKLKNW-PMERELPUSA-N	0	3	616.669	2.956	1	30		KFEFHN
COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4ccnn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)CC1	ZINC000096176163	562792128	/nfs/dbraw/zinc/79/21/28/562792128.db2.gz	UALBCKCLOWXUGT-UHFFFAOYSA-N	0	3	587.631	2.817	1	30		KFEFHN
COCCN1CCC(Nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](CO)c5cccc(F)c5)c4=O)cc3n2)CC1	ZINC000096176165	562792120	/nfs/dbraw/zinc/79/21/20/562792120.db2.gz	XWLIJUSZGAVOGX-SSEXGKCCSA-N	0	3	598.679	2.817	1	30		KFEFHN
CN(C)CCOc1ccnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176205	562792203	/nfs/dbraw/zinc/79/22/03/562792203.db2.gz	ZLMZLOZGGKYOFF-UHFFFAOYSA-N	0	3	517.536	2.840	1	30		KFEFHN
CN1CCN(CCCOc2ccnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc32)CC1	ZINC000096176206	562792180	/nfs/dbraw/zinc/79/21/80/562792180.db2.gz	OGJLDALPPVOBLN-UHFFFAOYSA-N	0	3	586.643	2.916	1	30		KFEFHN
CN(C)C[C@H](O)COc1ccnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000096176211	562792173	/nfs/dbraw/zinc/79/21/73/562792173.db2.gz	WRSYTVRSPNFZAU-QFIPXVFZSA-N	0	3	546.574	2.806	1	30		KFEFHN
CN1CC[C@H](Oc2ccnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc32)C1	ZINC000096176212	562792168	/nfs/dbraw/zinc/79/21/68/562792168.db2.gz	XTTCXGIDKKGNDW-NRFANRHFSA-N	0	3	529.547	2.982	1	30		KFEFHN
CN1CCC(NC(=O)c2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2)CC1	ZINC000096176329	562792346	/nfs/dbraw/zinc/79/23/46/562792346.db2.gz	RMXMYRNLCBTBJC-UHFFFAOYSA-N	0	3	570.600	2.724	1	30		KFEFHN
N#Cc1c2c(sc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)c(Cl)cc1Cl)CNCC2	ZINC000096913668	562800376	/nfs/dbraw/zinc/80/03/76/562800376.db2.gz	JHIRSVBCNOGRFC-UHFFFAOYSA-N	0	3	501.417	2.845	1	30		KFEFHN
CCN(CCCN(C)C)CC1=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@@]2(C)[C@@H](COC)OC1=O	ZINC000100401857	562806948	/nfs/dbraw/zinc/80/69/48/562806948.db2.gz	HHHBMPPLMLWBCJ-CFSRXDOHSA-N	0	3	560.688	2.526	1	30		KFEFHN
CCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=CC3=O)c2cc1NC(=O)/C=C/CN(C)C	ZINC000101110349	562809297	/nfs/dbraw/zinc/80/92/97/562809297.db2.gz	DUIPPPAQSCDKSG-AATRIKPKSA-N	0	3	515.517	2.741	1	30		KFEFHN
C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccc(C#N)cn4)n[nH]c3C2(C)C)[C@@H](C)CN1CC1CCOCC1	ZINC000114182660	562827839	/nfs/dbraw/zinc/82/78/39/562827839.db2.gz	LJQVTEDWNZBUJS-MSOLQXFVSA-N	0	3	520.638	2.921	1	30		KFEFHN
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(CN4CC[NH+](C5CCCCC5)CC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143351099	562834955	/nfs/dbraw/zinc/83/49/55/562834955.db2.gz	LQBOVZZQRYSXMM-JGCGQSQUSA-N	0	3	573.669	2.870	1	30		KFEFHN
COc1ccc2c(c1F)C(=O)N(C[C@]1(C#Cc3ccc(CN4CC[NH+](C5CCCCC5)CC4)cc3)NC(=O)[N-]C1=O)C2	ZINC000143378677	562834978	/nfs/dbraw/zinc/83/49/78/562834978.db2.gz	LQBOVZZQRYSXMM-YTTGMZPUSA-N	0	3	573.669	2.870	1	30		KFEFHN
CCN1CCN(c2cccc(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)cc3)n2)CC1	ZINC000143429188	562835050	/nfs/dbraw/zinc/83/50/50/562835050.db2.gz	ZPAIQTBIQOULME-JGCGQSQUSA-N	0	3	582.636	2.624	1	30		KFEFHN
CCN1CCN(c2cccc(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)cc3F)n2)CC1	ZINC000143429381	562835009	/nfs/dbraw/zinc/83/50/09/562835009.db2.gz	HUPOKPFSIDAEKF-JGCGQSQUSA-N	0	3	600.626	2.763	1	30		KFEFHN
CN1CCC[C@@H](Nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3n2)C1	ZINC000144970772	562836769	/nfs/dbraw/zinc/83/67/69/562836769.db2.gz	YUCJYTFPJFQSPI-OAQYLSRUSA-N	0	3	543.578	2.801	1	30		KFEFHN
CN(C)C[C@@H](O)COc1ccnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc21	ZINC000144974921	562836737	/nfs/dbraw/zinc/83/67/37/562836737.db2.gz	WRSYTVRSPNFZAU-JOCHJYFZSA-N	0	3	546.574	2.806	1	30		KFEFHN
CN1CC[C@@H](Oc2ccnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc32)C1	ZINC000144975161	562836763	/nfs/dbraw/zinc/83/67/63/562836763.db2.gz	XTTCXGIDKKGNDW-OAQYLSRUSA-N	0	3	529.547	2.982	1	30		KFEFHN
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCN(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C	ZINC000148498465	562841431	/nfs/dbraw/zinc/84/14/31/562841431.db2.gz	MEIRSQCXMATFDN-UHFFFAOYSA-N	0	3	515.637	2.850	1	30		KFEFHN
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCN(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148535367	562841474	/nfs/dbraw/zinc/84/14/74/562841474.db2.gz	NEXHHLCHLBHYEX-UHFFFAOYSA-N	0	3	501.610	2.542	1	30		KFEFHN
CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CNCCO4)c(F)c2)c1C#Cc1ccc(N)nc1	ZINC000148694726	562841686	/nfs/dbraw/zinc/84/16/86/562841686.db2.gz	ZYZDBOVXNVZYNJ-UHFFFAOYSA-N	0	3	500.578	2.817	1	30		KFEFHN
CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1	ZINC000148757419	562841780	/nfs/dbraw/zinc/84/17/80/562841780.db2.gz	CSYCUFPOSGBKQW-UHFFFAOYSA-N	0	3	539.684	2.944	1	30		KFEFHN
CCOc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC(=O)CNCCN(C)C)c(OCC)c2)ccc1OC(=O)CNCCN(C)C	ZINC000150609134	562848208	/nfs/dbraw/zinc/84/82/08/562848208.db2.gz	KUGOKHOYDLKAGO-UTLPMFLDSA-N	0	3	652.789	2.852	1	30		KFEFHN
COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(=C(CCCOc1ccccc1)NCCN1CCCCC1)C2=O	ZINC000169310910	562855003	/nfs/dbraw/zinc/85/50/03/562855003.db2.gz	ARBQFHVYGPHKOQ-PFOIOXRGSA-N	0	3	527.662	2.901	1	30		KFEFHN
CC(=O)O[C@H]1[C@H]([C@@H]2CN(C)CCN(C)C2=O)[C@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C	ZINC000169322660	562856846	/nfs/dbraw/zinc/85/68/46/562856846.db2.gz	VSINLEFDBQVHCV-LKDNZLMFSA-N	0	3	522.642	2.981	1	30		KFEFHN
CC(=O)O[C@H]1[C@H]([C@H]2CN(C)CCN(C)C2=O)[C@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C	ZINC000169322662	562856827	/nfs/dbraw/zinc/85/68/27/562856827.db2.gz	VSINLEFDBQVHCV-HTMQSIMBSA-N	0	3	522.642	2.981	1	30		KFEFHN
C#CCNC(=O)[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5CN(C[C@](O)(CC)C5)CCc5c6ccccc6[nH]c54)cc3[C@@]23CCN2CC=C[C@](CC)([C@H]23)[C@H]1O	ZINC000169327158	562858031	/nfs/dbraw/zinc/85/80/31/562858031.db2.gz	AKRWRWRTIBYNIA-XQKSVPLYSA-N	0	3	791.990	2.997	1	30		KFEFHN
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NCC=O)[C@@H]1O)[C@@H]32	ZINC000169327984	562858203	/nfs/dbraw/zinc/85/82/03/562858203.db2.gz	WTERXNYEYHZWQB-ICJOCJBCSA-N	0	3	795.978	2.562	1	30		KFEFHN
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c76)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)NCC#N)[C@@H]1O)[C@@H]32	ZINC000169331429	562858995	/nfs/dbraw/zinc/85/89/95/562858995.db2.gz	SSISGZNRHPAHIG-ICJOCJBCSA-N	0	3	792.978	2.887	1	30		KFEFHN
N=C[C@H](NC(=O)c1nc(-c2cc(F)ccc2F)sc1N)/C(=N/CC(F)F)N1CCC[C@@H](O)CC1	ZINC000169699287	562867555	/nfs/dbraw/zinc/86/75/55/562867555.db2.gz	YKCUWRKFCXWUIE-PVFFNKSZSA-N	0	3	500.522	2.929	1	30		KFEFHN
CN1CCC(C(=O)N2CC(C#Cc3ccc4c(c3)occ(-c3ccc(NS(C)(=O)=O)cc3)c4=O)C2)CC1	ZINC000169700865	562867744	/nfs/dbraw/zinc/86/77/44/562867744.db2.gz	MKWBEEPCDNQVAN-UHFFFAOYSA-N	0	3	519.623	2.983	1	30		KFEFHN
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)CN2C(=O)C2(c3ccc(Cl)cn3)CNC2)CC1	ZINC000169705915	562869803	/nfs/dbraw/zinc/86/98/03/562869803.db2.gz	CJBQZTNGRANTLJ-MJGOQNOKSA-N	0	3	646.475	2.786	1	30		KFEFHN
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)CN2C(=O)C2(c3ccc(Br)cn3)CNC2)CC1	ZINC000169705916	562869798	/nfs/dbraw/zinc/86/97/98/562869798.db2.gz	DDBLZAUTWNNHGW-MJGOQNOKSA-N	0	3	690.926	2.895	1	30		KFEFHN
N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(OCC(F)(F)F)cc3Cl)CN2C(=O)C2(c3ncc(Cl)cc3F)CNC2)CC1	ZINC000169705924	562869777	/nfs/dbraw/zinc/86/97/77/562869777.db2.gz	BUSQURRJWVUSJG-APWZRJJASA-N	0	3	664.465	2.925	1	30		KFEFHN
CN(C)CCc1nc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C	ZINC000169710295	562870586	/nfs/dbraw/zinc/87/05/86/562870586.db2.gz	JUEORSSBWVMLPJ-UHFFFAOYSA-N	0	3	555.589	2.890	1	30		KFEFHN
N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCC(N[C@@H]5CCS(=O)(=O)C5)CC4)c3Cl)nn12	ZINC000169711904	562871171	/nfs/dbraw/zinc/87/11/71/562871171.db2.gz	DROFWYLISLWWDT-GOSISDBHSA-N	0	3	567.079	2.584	1	30		KFEFHN
N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C#N)cc(N4CCC(N[C@H]5CCS(=O)(=O)C5)CC4)c3Cl)nn12	ZINC000169711905	562871184	/nfs/dbraw/zinc/87/11/84/562871184.db2.gz	DROFWYLISLWWDT-SFHVURJKSA-N	0	3	567.079	2.584	1	30		KFEFHN
C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)NCCCN5CCN(C)CC5)cn(C)c43)C[C@@H]2N1C(=O)NCc1ccccc1	ZINC000217551871	562877583	/nfs/dbraw/zinc/87/75/83/562877583.db2.gz	CXGXIWKKJJULSE-UWXQCODUSA-N	0	3	775.955	2.988	1	30		KFEFHN
COc1cc(C#Cc2cn([C@H]3CCN(C(=O)/C=C/CN4CCCC4)C3)c3ncnc(N)c23)cc(OC)c1	ZINC000222803668	562879970	/nfs/dbraw/zinc/87/99/70/562879970.db2.gz	UIEGAUJNKDZZQN-BDNZGDGKSA-N	0	3	500.603	2.856	1	30		KFEFHN
CN(C)C[C@@H]1CN(Cc2ccc(C#Cc3ccc(OCC4(C(=O)NO)CCOCC4)cc3)cc2)CCO1	ZINC000299824834	562883422	/nfs/dbraw/zinc/88/34/22/562883422.db2.gz	DVZGYOBRTHDLNL-HHHXNRCGSA-N	0	3	507.631	2.530	1	30		KFEFHN
CN(C)C[C@H]1CN(Cc2ccc(C#Cc3ccc(OCC4(C(=O)NO)CCOCC4)cc3)cc2)CCO1	ZINC000299824838	562883440	/nfs/dbraw/zinc/88/34/40/562883440.db2.gz	DVZGYOBRTHDLNL-MHZLTWQESA-N	0	3	507.631	2.530	1	30		KFEFHN
Cc1ncc(CNC2CCN(CCn3c4cc(Oc5ccc(S(N)(=O)=O)cc5)cnc4ccc3=O)CC2)cc1C#N	ZINC000473168063	562903073	/nfs/dbraw/zinc/90/30/73/562903073.db2.gz	JKFKPQNBIQQLQB-UHFFFAOYSA-N	0	3	573.679	2.666	1	30		KFEFHN
CCCCCCCCCC[C@H](O)CN(CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714165	562908319	/nfs/dbraw/zinc/90/83/19/562908319.db2.gz	JBZDVIALYFLPRW-GYNXXCPKSA-N	0	3	561.757	2.946	1	30		KFEFHN
CCCCCCCCCC[C@@H](O)CN(CCO)C[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714166	562908316	/nfs/dbraw/zinc/90/83/16/562908316.db2.gz	JBZDVIALYFLPRW-LBLAFIJZSA-N	0	3	561.757	2.946	1	30		KFEFHN
CCCCCCCCCC[C@H](O)CN(CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714167	562908369	/nfs/dbraw/zinc/90/83/69/562908369.db2.gz	JBZDVIALYFLPRW-MZKJNLRRSA-N	0	3	561.757	2.946	1	30		KFEFHN
CCCCCCCCCC[C@@H](O)CN(CCO)C[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000653714168	562908324	/nfs/dbraw/zinc/90/83/24/562908324.db2.gz	JBZDVIALYFLPRW-XYVQZSPKSA-N	0	3	561.757	2.946	1	30		KFEFHN
O=C(C=Cc1ccc(N2CCN(CCO)CC2)cc1)C=C(O)C=Cc1ccc(N2CCN(CCO)CC2)cc1	ZINC000653792978	562912776	/nfs/dbraw/zinc/91/27/76/562912776.db2.gz	JLNXRNVHESZYNW-ZGZJEHTBSA-N	0	3	532.685	2.653	1	30		KFEFHN
O=C(C=Cc1ccc(N2CCN(CCO)CC2)cc1)CC(=O)C=Cc1ccc(N2CCN(CCO)CC2)cc1	ZINC000653792978	562912775	/nfs/dbraw/zinc/91/27/75/562912775.db2.gz	JLNXRNVHESZYNW-ZGZJEHTBSA-N	0	3	532.685	2.653	1	30		KFEFHN
C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2F)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O	ZINC000061922762	562703406	/nfs/dbraw/zinc/70/34/06/562703406.db2.gz	FMAAXSCNYRSPNB-IPVFLDMMSA-N	0	3	517.667	2.639	3	30		KFEFHN
C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)Oc2cc(C#CC(C)(C)O)ccc2S1(=O)=O	ZINC000061922770	562703402	/nfs/dbraw/zinc/70/34/02/562703402.db2.gz	KWFRNIADRYRKOB-WATLYSKOSA-N	0	3	500.661	2.710	3	30		KFEFHN