smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1	ZINC000183090895	525407560	/nfs/dbraw/zinc/40/75/60/525407560.db2.gz	FBGQHJNJRRJMCG-PBHICJAKSA-N	0	3	319.449	1.868	10	10		DDCEHN
CCOc1cccc(CN2CCN(C[C@H](O)CC)CC2)c1O	ZINC000123529855	407331647	/nfs/dbraw/zinc/33/16/47/407331647.db2.gz	VAWYWKKTYOVBHG-OAHLLOKOSA-N	0	3	308.422	1.679	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1	ZINC000171807069	407773615	/nfs/dbraw/zinc/77/36/15/407773615.db2.gz	FUCYQOZEMOTSTB-INIZCTEOSA-N	0	3	302.422	1.742	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1F	ZINC000171905380	407790956	/nfs/dbraw/zinc/79/09/56/407790956.db2.gz	QRGUFZKGAFTGHF-CQSZACIVSA-N	0	3	320.412	1.881	10	10		DDCEHN
CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O	ZINC000245697790	408044567	/nfs/dbraw/zinc/04/45/67/408044567.db2.gz	CPEZPBWTCGTQIX-UONOGXRCSA-N	0	3	308.422	1.678	10	10		DDCEHN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]Cc2ccccc2[O-])C1	ZINC000702760607	699232058	/nfs/dbraw/zinc/23/20/58/699232058.db2.gz	FAQCJZGTVZNDMA-HIFRSBDPSA-N	0	3	322.405	1.710	10	10		DDCEHN
CCN1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1	ZINC000174238547	697386330	/nfs/dbraw/zinc/38/63/30/697386330.db2.gz	VLPPSAPPYPMMJG-ZDUSSCGKSA-N	0	3	307.394	1.684	10	10		DDCEHN
C[C@@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	ZINC000120655851	408138100	/nfs/dbraw/zinc/13/81/00/408138100.db2.gz	BPFUPHAZFAYBNS-NWDGAFQWSA-N	0	3	308.378	1.008	10	10		DDCEHN
C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1	ZINC000183090936	525407349	/nfs/dbraw/zinc/40/73/49/525407349.db2.gz	FBGQHJNJRRJMCG-RHSMWYFYSA-N	0	3	319.449	1.868	10	10		DDCEHN
CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2[O-])[C@H](O)C1	ZINC000702760609	699232466	/nfs/dbraw/zinc/23/24/66/699232466.db2.gz	FAQCJZGTVZNDMA-UKRRQHHQSA-N	0	3	322.405	1.710	10	10		DDCEHN
COc1cc(Cl)cc(C[NH2+]C[C@@H]2CN(C)CCO2)c1[O-]	ZINC000228673784	222206145	/nfs/dbraw/zinc/20/61/45/222206145.db2.gz	ARQHSMWOPRYAGI-GFCCVEGCSA-N	0	3	300.786	1.474	10	10		DDCEHN
Nc1ccc(CC(=O)NCCNC[C@@H](O)c2ccccc2)cc1	ZINC000040801760	352301733	/nfs/dbraw/zinc/30/17/33/352301733.db2.gz	JWKRTSQGEHJDAV-QGZVFWFLSA-N	0	3	313.401	1.251	10	10		DDCEHN
C/C=C/C[C@@H](C)[C@@H](O)[C@H](C(=O)C(=O)[C@@H](NC)C(C)C)N(C)C	ZINC000077286308	406982829	/nfs/dbraw/zinc/98/28/29/406982829.db2.gz	NEIFYFOCFQBPTE-GHSQFNHGSA-N	0	3	312.454	1.262	10	10	in-vitro	DDCEHN
CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@@H](C)O	ZINC000120739210	408142074	/nfs/dbraw/zinc/14/20/74/408142074.db2.gz	ZSNUJFJZCRJRMH-UKRRQHHQSA-N	0	3	308.422	1.678	10	10		DDCEHN
COc1cc(Cl)cc(C[NH2+]CCN2CCOCC2)c1[O-]	ZINC000076274223	191608549	/nfs/dbraw/zinc/60/85/49/191608549.db2.gz	UWGROGKKAGWNRA-UHFFFAOYSA-N	0	3	300.786	1.476	10	10		DDCEHN
CC[C@@H]1CN(Cc2cc(OC)ccc2O)CCN1CCOC	ZINC000180087239	523449840	/nfs/dbraw/zinc/44/98/40/523449840.db2.gz	ACBPOABNOLOWOV-OAHLLOKOSA-N	0	3	308.422	1.943	10	10		DDCEHN
COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000183406204	408401887	/nfs/dbraw/zinc/40/18/87/408401887.db2.gz	LRAQDJMHPMVCHF-CYBMUJFWSA-N	0	3	302.378	1.905	10	10		DDCEHN
COc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1	ZINC000183406204	408401892	/nfs/dbraw/zinc/40/18/92/408401892.db2.gz	LRAQDJMHPMVCHF-CYBMUJFWSA-N	0	3	302.378	1.905	10	10		DDCEHN
COc1cc(Cl)cc(CN2CCO[C@H](CN(C)C)C2)c1O	ZINC000184670599	408664599	/nfs/dbraw/zinc/66/45/99/408664599.db2.gz	CKXCKCBPBUVTPM-CYBMUJFWSA-N	0	3	314.813	1.817	10	10		DDCEHN
Cc1nc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)no1	ZINC000127949715	407481843	/nfs/dbraw/zinc/48/18/43/407481843.db2.gz	NCQATQGLGWDJEI-UHFFFAOYSA-N	0	3	302.378	1.792	10	10		DDCEHN
Cc1nc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)no1	ZINC000127949715	407481844	/nfs/dbraw/zinc/48/18/44/407481844.db2.gz	NCQATQGLGWDJEI-UHFFFAOYSA-N	0	3	302.378	1.792	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000245774323	408065696	/nfs/dbraw/zinc/06/56/96/408065696.db2.gz	SIPXCNSMNNTITG-YOEHRIQHSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000245774323	408065702	/nfs/dbraw/zinc/06/57/02/408065702.db2.gz	SIPXCNSMNNTITG-YOEHRIQHSA-N	0	3	320.433	1.943	10	10		DDCEHN
COc1cc(Cl)cc(CN2CCO[C@@H](CN(C)C)C2)c1O	ZINC000184670619	408665789	/nfs/dbraw/zinc/66/57/89/408665789.db2.gz	CKXCKCBPBUVTPM-ZDUSSCGKSA-N	0	3	314.813	1.817	10	10		DDCEHN
COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000245940810	222219251	/nfs/dbraw/zinc/21/92/51/222219251.db2.gz	UIFNEZBQMXQEMY-CZUORRHYSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000245940810	222219254	/nfs/dbraw/zinc/21/92/54/222219254.db2.gz	UIFNEZBQMXQEMY-CZUORRHYSA-N	0	3	306.406	1.553	10	10		DDCEHN
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@@H](C)O	ZINC000120754282	408141629	/nfs/dbraw/zinc/14/16/29/408141629.db2.gz	CRBJIWCJGZSTSJ-TZMCWYRMSA-N	0	3	322.405	1.398	10	10		DDCEHN
[O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](Cn3cncn3)C1)OCO2	ZINC000128621789	526333941	/nfs/dbraw/zinc/33/39/41/526333941.db2.gz	QJPVDNXQKJYTLX-GFCCVEGCSA-N	0	3	316.361	1.625	10	10		DDCEHN
[O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](Cn3cncn3)C1)OCO2	ZINC000128621789	526333951	/nfs/dbraw/zinc/33/39/51/526333951.db2.gz	QJPVDNXQKJYTLX-GFCCVEGCSA-N	0	3	316.361	1.625	10	10		DDCEHN
CCOc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-]	ZINC000245751113	276380050	/nfs/dbraw/zinc/38/00/50/276380050.db2.gz	NTMUDQQGJTZBOO-HOCLYGCPSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-]	ZINC000245751113	276380052	/nfs/dbraw/zinc/38/00/52/276380052.db2.gz	NTMUDQQGJTZBOO-HOCLYGCPSA-N	0	3	320.433	1.943	10	10		DDCEHN
Cc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1O	ZINC000180081304	524399268	/nfs/dbraw/zinc/39/92/68/524399268.db2.gz	CRENJCCUEYGJBQ-UHFFFAOYSA-N	0	3	324.388	1.461	10	10		DDCEHN
CCOc1cccc(CN2CCN(CCOC)[C@@H](C)C2)c1O	ZINC000245757295	698338075	/nfs/dbraw/zinc/33/80/75/698338075.db2.gz	OYHCDLTZOJTNOD-AWEZNQCLSA-N	0	3	308.422	1.943	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(CCOC)[C@H](C)C2)c1	ZINC000120844349	408144421	/nfs/dbraw/zinc/14/44/21/408144421.db2.gz	WTNJFJWCQSBHIF-CQSZACIVSA-N	0	3	308.422	1.943	10	10		DDCEHN
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCOC	ZINC000117323978	407830408	/nfs/dbraw/zinc/83/04/08/407830408.db2.gz	RENZMXKCGBCSPH-AWEZNQCLSA-N	0	3	322.405	1.664	10	10		DDCEHN
Cc1nc(CN2CCCN(Cc3cc(F)ccc3O)CC2)no1	ZINC000183255576	408365913	/nfs/dbraw/zinc/36/59/13/408365913.db2.gz	UQDRNKNMLYKNLY-UHFFFAOYSA-N	0	3	320.368	1.931	10	10		DDCEHN
C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1	ZINC000180234721	524613630	/nfs/dbraw/zinc/61/36/30/524613630.db2.gz	VZMKAHRBDNPEET-JSGCOSHPSA-N	0	3	320.389	1.273	10	10		DDCEHN
C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1	ZINC000180234721	524613636	/nfs/dbraw/zinc/61/36/36/524613636.db2.gz	VZMKAHRBDNPEET-JSGCOSHPSA-N	0	3	320.389	1.273	10	10		DDCEHN
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@@H](C)O	ZINC000120754422	408141265	/nfs/dbraw/zinc/14/12/65/408141265.db2.gz	CRBJIWCJGZSTSJ-OCCSQVGLSA-N	0	3	322.405	1.398	10	10		DDCEHN
COCCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C	ZINC000160211957	523856588	/nfs/dbraw/zinc/85/65/88/523856588.db2.gz	SAJOSJWSWSSSIP-CYBMUJFWSA-N	0	3	324.421	1.562	10	10		DDCEHN
C[C@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	ZINC000245692031	408047525	/nfs/dbraw/zinc/04/75/25/408047525.db2.gz	BPFUPHAZFAYBNS-NEPJUHHUSA-N	0	3	308.378	1.008	10	10		DDCEHN
CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-]	ZINC000245751117	222218209	/nfs/dbraw/zinc/21/82/09/222218209.db2.gz	NTMUDQQGJTZBOO-ZBFHGGJFSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-]	ZINC000245751117	222218214	/nfs/dbraw/zinc/21/82/14/222218214.db2.gz	NTMUDQQGJTZBOO-ZBFHGGJFSA-N	0	3	320.433	1.943	10	10		DDCEHN
COc1cc(O)c(CN2CCC[C@@H](n3cncn3)C2)cc1OC	ZINC000180066889	522773388	/nfs/dbraw/zinc/77/33/88/522773388.db2.gz	KBCFSQIYBJIYGU-CYBMUJFWSA-N	0	3	318.377	1.838	10	10		DDCEHN
Cc1ccc(S(=O)(=O)NCCCCCC([O-])=C[N+]#N)cc1	ZINC000026667737	352210777	/nfs/dbraw/zinc/21/07/77/352210777.db2.gz	DFUCISWWAMEOST-UHFFFAOYSA-N	0	3	309.391	1.703	10	10		DDCEHN
COc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1	ZINC000183406177	408400750	/nfs/dbraw/zinc/40/07/50/408400750.db2.gz	LRAQDJMHPMVCHF-ZDUSSCGKSA-N	0	3	302.378	1.905	10	10		DDCEHN
COc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1	ZINC000183406177	408400752	/nfs/dbraw/zinc/40/07/52/408400752.db2.gz	LRAQDJMHPMVCHF-ZDUSSCGKSA-N	0	3	302.378	1.905	10	10		DDCEHN
Cn1cc([C@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1	ZINC000116259152	407734349	/nfs/dbraw/zinc/73/43/49/407734349.db2.gz	KVPBOMLSLBAOHT-NSHDSACASA-N	0	3	301.346	1.844	10	10		DDCEHN
Cn1cc([C@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1	ZINC000116259152	407734352	/nfs/dbraw/zinc/73/43/52/407734352.db2.gz	KVPBOMLSLBAOHT-NSHDSACASA-N	0	3	301.346	1.844	10	10		DDCEHN
COc1cccc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-]	ZINC000180232545	278011486	/nfs/dbraw/zinc/01/14/86/278011486.db2.gz	PLTKBNAEBIQPAN-ZFWWWQNUSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1cccc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-]	ZINC000180232545	278011487	/nfs/dbraw/zinc/01/14/87/278011487.db2.gz	PLTKBNAEBIQPAN-ZFWWWQNUSA-N	0	3	306.406	1.553	10	10		DDCEHN
CCOCCN1CCN(Cc2cc(OC)ccc2O)C[C@H]1C	ZINC000245637794	698336335	/nfs/dbraw/zinc/33/63/35/698336335.db2.gz	CNEGCDFRNVTGPQ-CQSZACIVSA-N	0	3	308.422	1.943	10	10		DDCEHN
Cc1ccc(O)c(CN2CCN(c3ccc4nncn4n3)CC2)c1	ZINC000120503040	408131139	/nfs/dbraw/zinc/13/11/39/408131139.db2.gz	PTFBHLLFXMLGLB-UHFFFAOYSA-N	0	3	324.388	1.461	10	10		DDCEHN
CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O	ZINC000120611031	408134799	/nfs/dbraw/zinc/13/47/99/408134799.db2.gz	CPEZPBWTCGTQIX-ZIAGYGMSSA-N	0	3	308.422	1.678	10	10		DDCEHN
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)C=[N+]=[N-]	ZINC000575409174	422295819	/nfs/dbraw/zinc/29/58/19/422295819.db2.gz	HCSDLRWDCQKYHM-ZDUSSCGKSA-O	0	3	320.369	1.976	10	10		DDCEHN
CN(C)C(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1	ZINC000122653791	696723994	/nfs/dbraw/zinc/72/39/94/696723994.db2.gz	VWVUCPWOFWHWQE-QGZVFWFLSA-N	0	3	317.433	1.576	10	10		DDCEHN
Nc1ccc(CC(=O)NCCNC[C@H](O)c2ccccc2)cc1	ZINC000040801764	352301373	/nfs/dbraw/zinc/30/13/73/352301373.db2.gz	JWKRTSQGEHJDAV-KRWDZBQOSA-N	0	3	313.401	1.251	10	10		DDCEHN
NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(O)cc2[O-])cc1	ZINC000019980652	182173241	/nfs/dbraw/zinc/17/32/41/182173241.db2.gz	MNOCMLYVUIHMRR-UHFFFAOYSA-N	0	3	308.359	1.035	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(C[C@@H](O)CC)CC2)c1	ZINC000123594714	407333698	/nfs/dbraw/zinc/33/36/98/407333698.db2.gz	RKYTVEGZWNHKMZ-HNNXBMFYSA-N	0	3	308.422	1.679	10	10		DDCEHN
C[C@@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C	ZINC000120655693	408138516	/nfs/dbraw/zinc/13/85/16/408138516.db2.gz	BPFUPHAZFAYBNS-VXGBXAGGSA-N	0	3	308.378	1.008	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1F	ZINC000170835297	407523616	/nfs/dbraw/zinc/52/36/16/407523616.db2.gz	MAHGXTJDTAEUAX-ZDUSSCGKSA-N	0	3	308.401	1.737	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000121069436	408153449	/nfs/dbraw/zinc/15/34/49/408153449.db2.gz	CFGSFNYZHKYLAE-OAHLLOKOSA-N	0	3	306.406	1.697	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000121069436	408153456	/nfs/dbraw/zinc/15/34/56/408153456.db2.gz	CFGSFNYZHKYLAE-OAHLLOKOSA-N	0	3	306.406	1.697	10	10		DDCEHN
CCOc1ccc(O)c(CN2CC[C@@H](N3CCOCC3)C2)c1	ZINC000121069436	408153461	/nfs/dbraw/zinc/15/34/61/408153461.db2.gz	CFGSFNYZHKYLAE-OAHLLOKOSA-N	0	3	306.406	1.697	10	10		DDCEHN
CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@@H](C)O	ZINC000120739357	408142838	/nfs/dbraw/zinc/14/28/38/408142838.db2.gz	ZSNUJFJZCRJRMH-HIFRSBDPSA-N	0	3	308.422	1.678	10	10		DDCEHN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]Cc2ccccc2[O-])C1	ZINC000702760604	699232075	/nfs/dbraw/zinc/23/20/75/699232075.db2.gz	FAQCJZGTVZNDMA-DZGCQCFKSA-N	0	3	322.405	1.710	10	10		DDCEHN
Cn1cc(O[C@@H]2COC[C@@H]2NCc2ccc3c(c2)CCO3)cn1	ZINC000862494660	705723247	/nfs/dbraw/zinc/72/32/47/705723247.db2.gz	QSPADDXBKXBGJU-DOTOQJQBSA-N	0	3	315.373	1.291	10	10		DDCEHN
C[C@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C	ZINC000245692036	408046000	/nfs/dbraw/zinc/04/60/00/408046000.db2.gz	BPFUPHAZFAYBNS-RYUDHWBXSA-N	0	3	308.378	1.008	10	10		DDCEHN
CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000180229068	521344016	/nfs/dbraw/zinc/34/40/16/521344016.db2.gz	NTMUDQQGJTZBOO-GOEBONIOSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000180229068	521344025	/nfs/dbraw/zinc/34/40/25/521344025.db2.gz	NTMUDQQGJTZBOO-GOEBONIOSA-N	0	3	320.433	1.943	10	10		DDCEHN
COc1ccc(O)c(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1	ZINC000183277437	408368789	/nfs/dbraw/zinc/36/87/89/408368789.db2.gz	PQMHBZLXMAIPOQ-UKRRQHHQSA-N	0	3	313.419	1.846	10	10		DDCEHN
COc1cc(O)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1OC	ZINC000252734012	698403659	/nfs/dbraw/zinc/40/36/59/698403659.db2.gz	XUTMXPJKWTUYDY-STQMWFEESA-N	0	3	324.421	1.296	10	10		DDCEHN
O=C1COc2cc([N+](=O)[O-])c(N3CCN4CCC[C@H]4C3)cc2N1	ZINC000246591393	275019325	/nfs/dbraw/zinc/01/93/25/275019325.db2.gz	RIJKVCGQNXRQPD-JTQLQIEISA-N	0	3	318.333	1.210	10	10		DDCEHN
CN(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000155664618	522053404	/nfs/dbraw/zinc/05/34/04/522053404.db2.gz	AKHXLXWVDMUEDL-QGZVFWFLSA-N	0	3	314.433	1.908	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1F	ZINC000170835299	407525486	/nfs/dbraw/zinc/52/54/86/407525486.db2.gz	MAHGXTJDTAEUAX-CYBMUJFWSA-N	0	3	308.401	1.737	10	10		DDCEHN
COCCN1CCN(Cc2cc(OC)c(C)cc2O)C[C@@H]1C	ZINC000245512779	698334347	/nfs/dbraw/zinc/33/43/47/698334347.db2.gz	AZJKJEOWBWADJD-AWEZNQCLSA-N	0	3	308.422	1.862	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(C[C@H](O)CC)CC2)c1	ZINC000123594904	407333297	/nfs/dbraw/zinc/33/32/97/407333297.db2.gz	RKYTVEGZWNHKMZ-OAHLLOKOSA-N	0	3	308.422	1.679	10	10		DDCEHN
CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1CCOC	ZINC000120954012	408149455	/nfs/dbraw/zinc/14/94/55/408149455.db2.gz	RPCOYDNXYPAPSW-HNNXBMFYSA-N	0	3	308.422	1.943	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)CN2CCN3CCC[C@@H]3C2)cc1	ZINC000178638853	221873223	/nfs/dbraw/zinc/87/32/23/221873223.db2.gz	SVXSMKGLFLBTKC-QGZVFWFLSA-N	0	3	316.449	1.149	10	10		DDCEHN
COc1cc(Cl)cc(C[NH2+]C[C@H]2CN(C)CCO2)c1[O-]	ZINC000228673795	222206002	/nfs/dbraw/zinc/20/60/02/222206002.db2.gz	ARQHSMWOPRYAGI-LBPRGKRZSA-N	0	3	300.786	1.474	10	10		DDCEHN
Cn1cc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cn1	ZINC000179572238	407806670	/nfs/dbraw/zinc/80/66/70/407806670.db2.gz	XWFLVQURWHOIDE-UHFFFAOYSA-N	0	3	300.406	1.834	10	10		DDCEHN
Cn1cc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cn1	ZINC000179572238	407806678	/nfs/dbraw/zinc/80/66/78/407806678.db2.gz	XWFLVQURWHOIDE-UHFFFAOYSA-N	0	3	300.406	1.834	10	10		DDCEHN
C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1N1CCOCC1	ZINC000245790263	222218797	/nfs/dbraw/zinc/21/87/97/222218797.db2.gz	VZMKAHRBDNPEET-TZMCWYRMSA-N	0	3	320.389	1.273	10	10		DDCEHN
C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1N1CCOCC1	ZINC000245790263	222218799	/nfs/dbraw/zinc/21/87/99/222218799.db2.gz	VZMKAHRBDNPEET-TZMCWYRMSA-N	0	3	320.389	1.273	10	10		DDCEHN
COc1cc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OC	ZINC000180084756	697444341	/nfs/dbraw/zinc/44/43/41/697444341.db2.gz	XUTMXPJKWTUYDY-QWHCGFSZSA-N	0	3	324.421	1.296	10	10		DDCEHN
C/C=C/C[C@@H](C)C(=O)C(=C(O)C(=O)[C@@H](NC)C(C)C)N(C)C	ZINC000077320010	406984123	/nfs/dbraw/zinc/98/41/23/406984123.db2.gz	SWMXIVDXWWESMC-YKRSTSSUSA-N	0	3	310.438	1.470	10	10	in-vitro	DDCEHN
Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)n(C)n1	ZINC000173854695	407900956	/nfs/dbraw/zinc/90/09/56/407900956.db2.gz	JCZGWMAPWREYFF-CQSZACIVSA-N	0	3	314.389	1.719	10	10		DDCEHN
COc1cccc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000245759840	222218130	/nfs/dbraw/zinc/21/81/30/222218130.db2.gz	PLTKBNAEBIQPAN-DZGCQCFKSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1cccc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000245759840	222218133	/nfs/dbraw/zinc/21/81/33/222218133.db2.gz	PLTKBNAEBIQPAN-DZGCQCFKSA-N	0	3	306.406	1.553	10	10		DDCEHN
Cn1cc(CN2CCC[N@H+](Cc3cc(F)ccc3[O-])CC2)cn1	ZINC000180111626	527199243	/nfs/dbraw/zinc/19/92/43/527199243.db2.gz	QYHNVXWDVWNOII-UHFFFAOYSA-N	0	3	318.396	1.973	10	10		DDCEHN
Cn1cc(CN2CCC[N@@H+](Cc3cc(F)ccc3[O-])CC2)cn1	ZINC000180111626	527199249	/nfs/dbraw/zinc/19/92/49/527199249.db2.gz	QYHNVXWDVWNOII-UHFFFAOYSA-N	0	3	318.396	1.973	10	10		DDCEHN
C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1	ZINC000180234708	524986910	/nfs/dbraw/zinc/98/69/10/524986910.db2.gz	VZMKAHRBDNPEET-OCCSQVGLSA-N	0	3	320.389	1.273	10	10		DDCEHN
C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@@H]1N1CCOCC1	ZINC000180234708	524986922	/nfs/dbraw/zinc/98/69/22/524986922.db2.gz	VZMKAHRBDNPEET-OCCSQVGLSA-N	0	3	320.389	1.273	10	10		DDCEHN
CCOc1cccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1O	ZINC000245697780	408046108	/nfs/dbraw/zinc/04/61/08/408046108.db2.gz	CPEZPBWTCGTQIX-KBPBESRZSA-N	0	3	308.422	1.678	10	10		DDCEHN
C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1N1CCOCC1	ZINC000245790260	222218584	/nfs/dbraw/zinc/21/85/84/222218584.db2.gz	VZMKAHRBDNPEET-GXTWGEPZSA-N	0	3	320.389	1.273	10	10		DDCEHN
C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)C[C@H]1N1CCOCC1	ZINC000245790260	222218587	/nfs/dbraw/zinc/21/85/87/222218587.db2.gz	VZMKAHRBDNPEET-GXTWGEPZSA-N	0	3	320.389	1.273	10	10		DDCEHN
c1nc2c([nH]1)C1(CCN(c3ccc4c(c3)OCO4)CC1)NCC2	ZINC000065373191	275076077	/nfs/dbraw/zinc/07/60/77/275076077.db2.gz	NZRCXHLAFNONSO-UHFFFAOYSA-N	0	3	312.373	1.780	10	10		DDCEHN
CN(C)[C@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	ZINC000170835329	407524201	/nfs/dbraw/zinc/52/42/01/407524201.db2.gz	RLZGGDHDFQULQX-INIZCTEOSA-N	0	3	316.449	1.915	10	10		DDCEHN
CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1CCOC	ZINC000120953819	408149923	/nfs/dbraw/zinc/14/99/23/408149923.db2.gz	RPCOYDNXYPAPSW-OAHLLOKOSA-N	0	3	308.422	1.943	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000180234631	521145729	/nfs/dbraw/zinc/14/57/29/521145729.db2.gz	SIPXCNSMNNTITG-RHSMWYFYSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000180234631	521145737	/nfs/dbraw/zinc/14/57/37/521145737.db2.gz	SIPXCNSMNNTITG-RHSMWYFYSA-N	0	3	320.433	1.943	10	10		DDCEHN
COc1cc(O)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1OC	ZINC000252734011	698403496	/nfs/dbraw/zinc/40/34/96/698403496.db2.gz	XUTMXPJKWTUYDY-OLZOCXBDSA-N	0	3	324.421	1.296	10	10		DDCEHN
O=C1COc2cc([N+](=O)[O-])c(N3CCN4CCC[C@@H]4C3)cc2N1	ZINC000177825329	408723150	/nfs/dbraw/zinc/72/31/50/408723150.db2.gz	RIJKVCGQNXRQPD-SNVBAGLBSA-N	0	3	318.333	1.210	10	10		DDCEHN
COc1cc(O)c(CN2CCO[C@@H](CN(C)C)C2)cc1OC	ZINC000160264593	522776302	/nfs/dbraw/zinc/77/63/02/522776302.db2.gz	BNMOIFCCUGYSDH-ZDUSSCGKSA-N	0	3	310.394	1.172	10	10		DDCEHN
[N-]=[N+]=CC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000096295152	407257966	/nfs/dbraw/zinc/25/79/66/407257966.db2.gz	BAAMNSBTMNZWBE-OAHLLOKOSA-N	0	3	320.328	1.773	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1	ZINC000245701669	698337037	/nfs/dbraw/zinc/33/70/37/698337037.db2.gz	DGWSTLVIRALEFV-KGLIPLIRSA-N	0	3	308.422	1.678	10	10		DDCEHN
CC[C@H]1CN(Cc2cc(OC)ccc2O)CCN1C[C@@H](C)O	ZINC000180085470	523287340	/nfs/dbraw/zinc/28/73/40/523287340.db2.gz	PAAXFQWFFALNLU-HIFRSBDPSA-N	0	3	308.422	1.678	10	10		DDCEHN
CC[C@H]1CN(Cc2cc(OC)ccc2O)CCN1CCOC	ZINC000180087259	523289339	/nfs/dbraw/zinc/28/93/39/523289339.db2.gz	ACBPOABNOLOWOV-HNNXBMFYSA-N	0	3	308.422	1.943	10	10		DDCEHN
COc1cccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-]	ZINC000128470954	525938864	/nfs/dbraw/zinc/93/88/64/525938864.db2.gz	QBTYUSBGKBVXCT-ZDUSSCGKSA-N	0	3	302.378	1.905	10	10		DDCEHN
COc1cccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-]	ZINC000128470954	525938873	/nfs/dbraw/zinc/93/88/73/525938873.db2.gz	QBTYUSBGKBVXCT-ZDUSSCGKSA-N	0	3	302.378	1.905	10	10		DDCEHN
CCOc1cccc(CN2CCN(C[C@@H](O)CC)CC2)c1O	ZINC000123529634	407331094	/nfs/dbraw/zinc/33/10/94/407331094.db2.gz	VAWYWKKTYOVBHG-HNNXBMFYSA-N	0	3	308.422	1.679	10	10		DDCEHN
CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000180229087	521343985	/nfs/dbraw/zinc/34/39/85/521343985.db2.gz	NTMUDQQGJTZBOO-GDBMZVCRSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000180229087	521343975	/nfs/dbraw/zinc/34/39/75/521343975.db2.gz	NTMUDQQGJTZBOO-GDBMZVCRSA-N	0	3	320.433	1.943	10	10		DDCEHN
COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000245759845	222218482	/nfs/dbraw/zinc/21/84/82/222218482.db2.gz	PLTKBNAEBIQPAN-UKRRQHHQSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1cccc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-]	ZINC000245759845	222218485	/nfs/dbraw/zinc/21/84/85/222218485.db2.gz	PLTKBNAEBIQPAN-UKRRQHHQSA-N	0	3	306.406	1.553	10	10		DDCEHN
CC[C@@H]1CN(Cc2cc(OC)ccc2O)CCN1C[C@@H](C)O	ZINC000180085449	523449270	/nfs/dbraw/zinc/44/92/70/523449270.db2.gz	PAAXFQWFFALNLU-UKRRQHHQSA-N	0	3	308.422	1.678	10	10		DDCEHN
C/C=C/C[C@@H](C)C(=O)C(=C(O)C(=O)[C@@H](NC)C(C)C)N(C)C	ZINC000077320013	406983967	/nfs/dbraw/zinc/98/39/67/406983967.db2.gz	SWMXIVDXWWESMC-BJVJZSAUSA-N	0	3	310.438	1.470	10	10	in-vitro	DDCEHN
CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000121069301	408154653	/nfs/dbraw/zinc/15/46/53/408154653.db2.gz	CFGSFNYZHKYLAE-HNNXBMFYSA-N	0	3	306.406	1.697	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000121069301	408154659	/nfs/dbraw/zinc/15/46/59/408154659.db2.gz	CFGSFNYZHKYLAE-HNNXBMFYSA-N	0	3	306.406	1.697	10	10		DDCEHN
CCOc1ccc(O)c(CN2CC[C@H](N3CCOCC3)C2)c1	ZINC000121069301	408154664	/nfs/dbraw/zinc/15/46/64/408154664.db2.gz	CFGSFNYZHKYLAE-HNNXBMFYSA-N	0	3	306.406	1.697	10	10		DDCEHN
CCOc1cccc(CN2CCN(CCOC)[C@H](C)C2)c1O	ZINC000120808993	696701491	/nfs/dbraw/zinc/70/14/91/696701491.db2.gz	OYHCDLTZOJTNOD-CQSZACIVSA-N	0	3	308.422	1.943	10	10		DDCEHN
Oc1cc2c(cc1CN1CC[C@H](N3CCOCC3)C1)OCO2	ZINC000172960928	407857599	/nfs/dbraw/zinc/85/75/99/407857599.db2.gz	JPJJDZHJTPTZCZ-ZDUSSCGKSA-N	0	3	306.362	1.027	10	10		DDCEHN
CCN1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1	ZINC000114590784	696662179	/nfs/dbraw/zinc/66/21/79/696662179.db2.gz	QQJNDIDOCNBCJM-CYBMUJFWSA-N	0	3	307.394	1.684	10	10		DDCEHN
[N-]=[N+]=CC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000096295151	407257918	/nfs/dbraw/zinc/25/79/18/407257918.db2.gz	BAAMNSBTMNZWBE-HNNXBMFYSA-N	0	3	320.328	1.773	10	10		DDCEHN
Oc1cc2c(cc1CN1CCC[C@@H](n3cncn3)C1)OCO2	ZINC000179470174	407792206	/nfs/dbraw/zinc/79/22/06/407792206.db2.gz	VNPTURDWBCCARL-GFCCVEGCSA-N	0	3	302.334	1.550	10	10		DDCEHN
C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(=O)[C@@H](NC)C(C)C)N(C)C	ZINC000077286307	406982936	/nfs/dbraw/zinc/98/29/36/406982936.db2.gz	NEIFYFOCFQBPTE-BUWSWMSDSA-N	0	3	312.454	1.262	10	10	in-vitro	DDCEHN
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1	ZINC000183090875	525302178	/nfs/dbraw/zinc/30/21/78/525302178.db2.gz	FBGQHJNJRRJMCG-YOEHRIQHSA-N	0	3	319.449	1.868	10	10		DDCEHN
CN(C)[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1	ZINC000170835331	407524518	/nfs/dbraw/zinc/52/45/18/407524518.db2.gz	RLZGGDHDFQULQX-MRXNPFEDSA-N	0	3	316.449	1.915	10	10		DDCEHN
CCN1CCC[C@H](NC(=O)NCc2cc(OC)ccc2O)C1	ZINC000114590782	696662149	/nfs/dbraw/zinc/66/21/49/696662149.db2.gz	QQJNDIDOCNBCJM-ZDUSSCGKSA-N	0	3	307.394	1.684	10	10		DDCEHN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]Cc2ccccc2[O-])C1	ZINC000702760611	699232484	/nfs/dbraw/zinc/23/24/84/699232484.db2.gz	FAQCJZGTVZNDMA-ZFWWWQNUSA-N	0	3	322.405	1.710	10	10		DDCEHN
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@H](C)O	ZINC000245698659	408045961	/nfs/dbraw/zinc/04/59/61/408045961.db2.gz	CRBJIWCJGZSTSJ-GXTWGEPZSA-N	0	3	322.405	1.398	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000245774320	222218430	/nfs/dbraw/zinc/21/84/30/222218430.db2.gz	SIPXCNSMNNTITG-PBHICJAKSA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000245774320	222218434	/nfs/dbraw/zinc/21/84/34/222218434.db2.gz	SIPXCNSMNNTITG-PBHICJAKSA-N	0	3	320.433	1.943	10	10		DDCEHN
CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@H](C)O	ZINC000245813325	408070137	/nfs/dbraw/zinc/07/01/37/408070137.db2.gz	ZSNUJFJZCRJRMH-ZFWWWQNUSA-N	0	3	308.422	1.678	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000245701673	698337386	/nfs/dbraw/zinc/33/73/86/698337386.db2.gz	DGWSTLVIRALEFV-UONOGXRCSA-N	0	3	308.422	1.678	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(CCOC)[C@@H](C)C2)c1	ZINC000245794778	408072038	/nfs/dbraw/zinc/07/20/38/408072038.db2.gz	WTNJFJWCQSBHIF-AWEZNQCLSA-N	0	3	308.422	1.943	10	10		DDCEHN
C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(O)c2[O-])CC1	ZINC000193120273	408696542	/nfs/dbraw/zinc/69/65/42/408696542.db2.gz	GMYRXCVLCFEQDF-GFCCVEGCSA-N	0	3	322.405	1.263	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)CN2CCN3CCC[C@H]3C2)cc1	ZINC000246590881	222223381	/nfs/dbraw/zinc/22/33/81/222223381.db2.gz	SVXSMKGLFLBTKC-KRWDZBQOSA-N	0	3	316.449	1.149	10	10		DDCEHN
COc1cc(N2CCN(CC(C)(C)O)CC2)cc(OC)c1OC	ZINC000183700536	408470960	/nfs/dbraw/zinc/47/09/60/408470960.db2.gz	MJCPVYFLZIIDMC-UHFFFAOYSA-N	0	3	324.421	1.605	10	10		DDCEHN
CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@H](C)O	ZINC000245813322	408071793	/nfs/dbraw/zinc/07/17/93/408071793.db2.gz	ZSNUJFJZCRJRMH-DZGCQCFKSA-N	0	3	308.422	1.678	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1F	ZINC000171905381	407790444	/nfs/dbraw/zinc/79/04/44/407790444.db2.gz	QRGUFZKGAFTGHF-AWEZNQCLSA-N	0	3	320.412	1.881	10	10		DDCEHN
Oc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)C1)OCO2	ZINC000172960934	407857237	/nfs/dbraw/zinc/85/72/37/407857237.db2.gz	JPJJDZHJTPTZCZ-CYBMUJFWSA-N	0	3	306.362	1.027	10	10		DDCEHN
Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)n(C)n1	ZINC000173854677	407899710	/nfs/dbraw/zinc/89/97/10/407899710.db2.gz	JCZGWMAPWREYFF-AWEZNQCLSA-N	0	3	314.389	1.719	10	10		DDCEHN
CN(C)C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1	ZINC000116928664	407798847	/nfs/dbraw/zinc/79/88/47/407798847.db2.gz	LROKJWFBBIUITJ-INIZCTEOSA-N	0	3	320.437	1.225	10	10		DDCEHN
COc1cc(O)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OC	ZINC000180084737	697444269	/nfs/dbraw/zinc/44/42/69/697444269.db2.gz	XUTMXPJKWTUYDY-CHWSQXEVSA-N	0	3	324.421	1.296	10	10		DDCEHN
CCOc1cccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1O	ZINC000245697785	408045914	/nfs/dbraw/zinc/04/59/14/408045914.db2.gz	CPEZPBWTCGTQIX-KGLIPLIRSA-N	0	3	308.422	1.678	10	10		DDCEHN
COc1cc(O)c(CN2CCC[C@H](n3cncn3)C2)cc1OC	ZINC000180066871	522774689	/nfs/dbraw/zinc/77/46/89/522774689.db2.gz	KBCFSQIYBJIYGU-ZDUSSCGKSA-N	0	3	318.377	1.838	10	10		DDCEHN
CCOCCN1CCN(Cc2cccc(OC)c2O)C[C@@H]1C	ZINC000120890988	696703196	/nfs/dbraw/zinc/70/31/96/696703196.db2.gz	ZVZLOTGVAUTVBL-AWEZNQCLSA-N	0	3	308.422	1.943	10	10		DDCEHN
CCN1CCC[C@@H](NC(=O)NCc2cccc(OC)c2O)C1	ZINC000174238562	697386242	/nfs/dbraw/zinc/38/62/42/697386242.db2.gz	VLPPSAPPYPMMJG-CYBMUJFWSA-N	0	3	307.394	1.684	10	10		DDCEHN
COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-]	ZINC000180232526	525954771	/nfs/dbraw/zinc/95/47/71/525954771.db2.gz	PLTKBNAEBIQPAN-HIFRSBDPSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-]	ZINC000180232526	525954777	/nfs/dbraw/zinc/95/47/77/525954777.db2.gz	PLTKBNAEBIQPAN-HIFRSBDPSA-N	0	3	306.406	1.553	10	10		DDCEHN
Cn1cc([C@@H]2CC[N@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1	ZINC000116259149	407734233	/nfs/dbraw/zinc/73/42/33/407734233.db2.gz	KVPBOMLSLBAOHT-LLVKDONJSA-N	0	3	301.346	1.844	10	10		DDCEHN
Cn1cc([C@@H]2CC[N@@H+](Cc3cc4c(cc3[O-])OCO4)C2)cn1	ZINC000116259149	407734240	/nfs/dbraw/zinc/73/42/40/407734240.db2.gz	KVPBOMLSLBAOHT-LLVKDONJSA-N	0	3	301.346	1.844	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000180234613	521148767	/nfs/dbraw/zinc/14/87/67/521148767.db2.gz	SIPXCNSMNNTITG-WMLDXEAASA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000180234613	521148773	/nfs/dbraw/zinc/14/87/73/521148773.db2.gz	SIPXCNSMNNTITG-WMLDXEAASA-N	0	3	320.433	1.943	10	10		DDCEHN
CCOCCN1CCN(Cc2cccc(OC)c2O)C[C@H]1C	ZINC000245814144	698339475	/nfs/dbraw/zinc/33/94/75/698339475.db2.gz	ZVZLOTGVAUTVBL-CQSZACIVSA-N	0	3	308.422	1.943	10	10		DDCEHN
CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@H](C)O	ZINC000245698661	408046976	/nfs/dbraw/zinc/04/69/76/408046976.db2.gz	CRBJIWCJGZSTSJ-JSGCOSHPSA-N	0	3	322.405	1.398	10	10		DDCEHN
Oc1cc2c(cc1CN1CCC[C@H](n3cncn3)C1)OCO2	ZINC000179470163	407791275	/nfs/dbraw/zinc/79/12/75/407791275.db2.gz	VNPTURDWBCCARL-LBPRGKRZSA-N	0	3	302.334	1.550	10	10		DDCEHN
COc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000245940815	222219303	/nfs/dbraw/zinc/21/93/03/222219303.db2.gz	UIFNEZBQMXQEMY-XJKSGUPXSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1	ZINC000245940815	222219306	/nfs/dbraw/zinc/21/93/06/222219306.db2.gz	UIFNEZBQMXQEMY-XJKSGUPXSA-N	0	3	306.406	1.553	10	10		DDCEHN
CN(C)[C@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1	ZINC000155664741	522103070	/nfs/dbraw/zinc/10/30/70/522103070.db2.gz	AKHXLXWVDMUEDL-KRWDZBQOSA-N	0	3	314.433	1.908	10	10		DDCEHN
COc1cc(O)c(CN2CC[C@@H](N3CCOCC3)C2)cc1OC	ZINC000160297520	408468893	/nfs/dbraw/zinc/46/88/93/408468893.db2.gz	WBSJRJAKINXZIZ-CQSZACIVSA-N	0	3	322.405	1.316	10	10		DDCEHN
COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000180655246	524744965	/nfs/dbraw/zinc/74/49/65/524744965.db2.gz	UIFNEZBQMXQEMY-CJNGLKHVSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1	ZINC000180655246	524744972	/nfs/dbraw/zinc/74/49/72/524744972.db2.gz	UIFNEZBQMXQEMY-CJNGLKHVSA-N	0	3	306.406	1.553	10	10		DDCEHN
C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1	ZINC000183090918	525302450	/nfs/dbraw/zinc/30/24/50/525302450.db2.gz	FBGQHJNJRRJMCG-WMLDXEAASA-N	0	3	319.449	1.868	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1	ZINC000245701665	698337098	/nfs/dbraw/zinc/33/70/98/698337098.db2.gz	DGWSTLVIRALEFV-KBPBESRZSA-N	0	3	308.422	1.678	10	10		DDCEHN
CN(C)C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1	ZINC000116928663	407797443	/nfs/dbraw/zinc/79/74/43/407797443.db2.gz	LROKJWFBBIUITJ-MRXNPFEDSA-N	0	3	320.437	1.225	10	10		DDCEHN
COCCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C	ZINC000160212105	523856851	/nfs/dbraw/zinc/85/68/51/523856851.db2.gz	SAJOSJWSWSSSIP-ZDUSSCGKSA-N	0	3	324.421	1.562	10	10		DDCEHN
COc1cccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-]	ZINC000128471199	525938694	/nfs/dbraw/zinc/93/86/94/525938694.db2.gz	QBTYUSBGKBVXCT-CYBMUJFWSA-N	0	3	302.378	1.905	10	10		DDCEHN
COc1cccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-]	ZINC000128471199	525938703	/nfs/dbraw/zinc/93/87/03/525938703.db2.gz	QBTYUSBGKBVXCT-CYBMUJFWSA-N	0	3	302.378	1.905	10	10		DDCEHN
CCOCCN1CCN(Cc2cc(OC)ccc2O)C[C@@H]1C	ZINC000180086737	697444413	/nfs/dbraw/zinc/44/44/13/697444413.db2.gz	CNEGCDFRNVTGPQ-AWEZNQCLSA-N	0	3	308.422	1.943	10	10		DDCEHN
CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1	ZINC000171807063	407771206	/nfs/dbraw/zinc/77/12/06/407771206.db2.gz	FUCYQOZEMOTSTB-MRXNPFEDSA-N	0	3	302.422	1.742	10	10		DDCEHN
CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1	ZINC000120654718	696699180	/nfs/dbraw/zinc/69/91/80/696699180.db2.gz	DGWSTLVIRALEFV-ZIAGYGMSSA-N	0	3	308.422	1.678	10	10		DDCEHN
C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cccc(O)c2[O-])CC1	ZINC000193120262	408696832	/nfs/dbraw/zinc/69/68/32/408696832.db2.gz	GMYRXCVLCFEQDF-LBPRGKRZSA-N	0	3	322.405	1.263	10	10		DDCEHN
COc1ccc([O-])c(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000180655263	524749828	/nfs/dbraw/zinc/74/98/28/524749828.db2.gz	UIFNEZBQMXQEMY-BBRMVZONSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1ccc([O-])c(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1	ZINC000180655263	524749846	/nfs/dbraw/zinc/74/98/46/524749846.db2.gz	UIFNEZBQMXQEMY-BBRMVZONSA-N	0	3	306.406	1.553	10	10		DDCEHN
COc1cc(O)c(CN2CC[C@H](N3CCOCC3)C2)cc1OC	ZINC000160297392	418516995	/nfs/dbraw/zinc/51/69/95/418516995.db2.gz	WBSJRJAKINXZIZ-AWEZNQCLSA-N	0	3	322.405	1.316	10	10		DDCEHN
[O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](Cn3cncn3)C1)OCO2	ZINC000128621574	526334017	/nfs/dbraw/zinc/33/40/17/526334017.db2.gz	QJPVDNXQKJYTLX-LBPRGKRZSA-N	0	3	316.361	1.625	10	10		DDCEHN
[O-]c1cc2c(cc1C[N@H+]1CCC[C@H](Cn3cncn3)C1)OCO2	ZINC000128621574	526334020	/nfs/dbraw/zinc/33/40/20/526334020.db2.gz	QJPVDNXQKJYTLX-LBPRGKRZSA-N	0	3	316.361	1.625	10	10		DDCEHN
CO[C@@H]1C[C@@H](CO)N(Cc2ccc(N3CCOCC3)cc2)C1	ZINC000583617865	422200875	/nfs/dbraw/zinc/20/08/75/422200875.db2.gz	BIOLOWBGQWZVLJ-DLBZAZTESA-N	0	3	306.406	1.105	10	10		DDCEHN
COc1cc(O)c(CN2CCO[C@H](CN(C)C)C2)cc1OC	ZINC000160264470	522776912	/nfs/dbraw/zinc/77/69/12/522776912.db2.gz	BNMOIFCCUGYSDH-CYBMUJFWSA-N	0	3	310.394	1.172	10	10		DDCEHN
COCCN1CCN(Cc2cc(C)cc(OC)c2O)C[C@@H]1C	ZINC000246177538	698344771	/nfs/dbraw/zinc/34/47/71/698344771.db2.gz	CYFLSQMVGKGSPV-AWEZNQCLSA-N	0	3	308.422	1.862	10	10		DDCEHN
CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCOC	ZINC000117323975	407829428	/nfs/dbraw/zinc/82/94/28/407829428.db2.gz	RENZMXKCGBCSPH-CQSZACIVSA-N	0	3	322.405	1.664	10	10		DDCEHN