smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002546073	574411859	/nfs/dbraw/zinc/41/18/59/574411859.db2.gz	QADCERNTBWTXFV-TZMCWYRMSA-N	0	3	360.418	-0.130	10	0	endogenous,in-man	FBAEHN
N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1cccc(N2CCOCC2)c1	ZINC000003842034	291024452	/nfs/dbraw/zinc/02/44/52/291024452.db2.gz	NNCVYRVWFAKIAQ-CAOSSQGBSA-N	0	3	374.401	-0.032	10	0		FBAEHN
N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cncn2)cc1	ZINC000004259828	291024481	/nfs/dbraw/zinc/02/44/81/291024481.db2.gz	LNDUQFCUBMEKLG-IGQOVBAYSA-N	0	3	356.346	-0.288	10	0		FBAEHN
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000006020262	210230830	/nfs/dbraw/zinc/23/08/30/210230830.db2.gz	WEZNQZHACPSMEF-QEJZJMRPSA-N	0	3	364.446	-0.241	10	0		FBAEHN
COc1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCOCC3)[C@H]2O)cc1	ZINC000012483972	220000314	/nfs/dbraw/zinc/00/03/14/220000314.db2.gz	ZWWKZXKCDDNUPY-HSFUPAIVSA-N	0	3	350.415	-0.030	10	0		FBAEHN
O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)N1CCOCC1	ZINC000012603872	220013099	/nfs/dbraw/zinc/01/30/99/220013099.db2.gz	YYIJESDQDBOEIU-CIRFHOKZSA-N	0	3	368.405	-0.347	10	0		FBAEHN
CN1CCN([C@H]2[C@@H](CNCc3ccc(F)cc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465189	484251472	/nfs/dbraw/zinc/25/14/72/484251472.db2.gz	UIYSCKUSQQEWAS-VSZNYVQBSA-N	0	3	353.438	-0.348	10	0		FBAEHN
Cc1cc(C)n(C2CN(C(=O)Cn3ncc(N4CCNCC4)cc3=O)C2)n1	ZINC000020600068	524500340	/nfs/dbraw/zinc/50/03/40/524500340.db2.gz	FITFCBSICYZOGJ-UHFFFAOYSA-N	0	3	371.445	-0.450	10	0		FBAEHN
COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)N2CCOCC2)O1	ZINC000030878801	220629748	/nfs/dbraw/zinc/62/97/48/220629748.db2.gz	LHGFWCLDZMHCDP-ULQDDVLXSA-N	0	3	374.478	-0.261	10	0		FBAEHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000033949505	574414130	/nfs/dbraw/zinc/41/41/30/574414130.db2.gz	QADCERNTBWTXFV-GXTWGEPZSA-N	0	3	360.418	-0.130	10	0	endogenous,in-vitro	FBAEHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000034227799	571750020	/nfs/dbraw/zinc/75/00/20/571750020.db2.gz	QADCERNTBWTXFV-OCCSQVGLSA-N	0	3	360.418	-0.130	10	0	endogenous,in-man	FBAEHN
CN1CCC(C(=O)N2CCN3C(=O)CNC(=O)[C@@H]3C2)(c2ccccc2)CC1	ZINC000065407790	205348624	/nfs/dbraw/zinc/34/86/24/205348624.db2.gz	GDDYMJJFJSOESH-INIZCTEOSA-N	0	3	370.453	-0.181	10	0		FBAEHN
CN1CCC(C(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)(c2ccccc2)CC1	ZINC000065407791	205349159	/nfs/dbraw/zinc/34/91/59/205349159.db2.gz	GDDYMJJFJSOESH-MRXNPFEDSA-N	0	3	370.453	-0.181	10	0		FBAEHN
COCCN1CCC[C@](O)(CN2CCCN(c3ncccn3)CC2)C1=O	ZINC000067692812	221272354	/nfs/dbraw/zinc/27/23/54/221272354.db2.gz	BFJKCWJPVJPCGC-SFHVURJKSA-N	0	3	363.462	-0.011	10	0		FBAEHN
COCCN1CCC[C@@](O)(CN2CCCN(c3ncccn3)CC2)C1=O	ZINC000067692814	221272585	/nfs/dbraw/zinc/27/25/85/221272585.db2.gz	BFJKCWJPVJPCGC-GOSISDBHSA-N	0	3	363.462	-0.011	10	0		FBAEHN
Cc1cc(C)n(CCNC(=O)[C@@H]2C[C@@H](NC(=O)C(C)(C)C)CN2)c(=O)n1	ZINC000067773117	221285039	/nfs/dbraw/zinc/28/50/39/221285039.db2.gz	HVHJGTBWXMJBSV-KGLIPLIRSA-N	0	3	363.462	-0.131	10	0		FBAEHN
CC(C)C[C@H](CN(C)C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O	ZINC000068222864	484577855	/nfs/dbraw/zinc/57/78/55/484577855.db2.gz	LRZALITXHUDDEJ-GFCCVEGCSA-N	0	3	364.450	-0.474	10	0		FBAEHN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCN1CCN(C)CC1	ZINC000073543350	484713469	/nfs/dbraw/zinc/71/34/69/484713469.db2.gz	WTHGYIRVQPTQLM-OAHLLOKOSA-N	0	3	360.524	-0.056	10	0		FBAEHN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCN1CCN(C)CC1	ZINC000073543351	484714311	/nfs/dbraw/zinc/71/43/11/484714311.db2.gz	WTHGYIRVQPTQLM-HNNXBMFYSA-N	0	3	360.524	-0.056	10	0		FBAEHN
O=S(=O)(NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O)c1ccccc1	ZINC000077264666	205038912	/nfs/dbraw/zinc/03/89/12/205038912.db2.gz	VYCNKZDPSREZBQ-KFWWJZLASA-N	0	3	352.416	-0.394	10	0		FBAEHN
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H](NCc3cnc[nH]3)[C@@H]2O)cc1	ZINC000077264803	205039152	/nfs/dbraw/zinc/03/91/52/205039152.db2.gz	WDGYZUFJVHZGEK-OAGGEKHMSA-N	0	3	366.443	-0.085	10	0		FBAEHN
Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(CO)CO)CC1	ZINC000077554835	483747769	/nfs/dbraw/zinc/74/77/69/483747769.db2.gz	XHOSCWGPAVASIT-UHFFFAOYSA-N	0	3	353.467	-0.696	10	0		FBAEHN
Cn1c(CN2CCN(C)CC2)nnc1C1CCN(C(CO)CO)CC1	ZINC000091440367	527056561	/nfs/dbraw/zinc/05/65/61/527056561.db2.gz	BNFYQFBQYCQOFY-UHFFFAOYSA-N	0	3	352.483	-0.905	10	0		FBAEHN
COCCN1CCC[C@]2(CCN(CC(=O)N3CCN(C)CC3)C2)C1=O	ZINC000092004463	209010743	/nfs/dbraw/zinc/01/07/43/209010743.db2.gz	AVLKJOMKBICLGY-GOSISDBHSA-N	0	3	352.479	-0.279	10	0		FBAEHN
NC[C@@H]1O[C@H](n2cnc3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000098088032	222228126	/nfs/dbraw/zinc/22/81/26/222228126.db2.gz	GHSSKLIKSJXMME-IEEZVJAPSA-N	0	3	358.402	-0.488	10	0		FBAEHN
CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CN(C)CCO2)CC1=O	ZINC000105324442	535553981	/nfs/dbraw/zinc/55/39/81/535553981.db2.gz	MOVOGUMAWYYCPM-BZUAXINKSA-N	0	3	352.479	-0.234	10	0		FBAEHN
CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)C1	ZINC000106100070	535119114	/nfs/dbraw/zinc/11/91/14/535119114.db2.gz	PGXAPHZZUOHDFX-KZNAEPCWSA-N	0	3	370.538	-0.154	10	0		FBAEHN
CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)C1	ZINC000106100072	535119180	/nfs/dbraw/zinc/11/91/80/535119180.db2.gz	PGXAPHZZUOHDFX-RCCFBDPRSA-N	0	3	370.538	-0.154	10	0		FBAEHN
CC[C@@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCN1C[C@@H](C)O	ZINC000106101268	483883871	/nfs/dbraw/zinc/88/38/71/483883871.db2.gz	NCXCBVJQZJCPAA-IAGOWNOFSA-N	0	3	370.538	-0.010	10	0		FBAEHN
CC[C@H]1CN(CC(=O)NCC(C)(C)N2CCOCC2)CCN1C[C@@H](C)O	ZINC000106101270	483884025	/nfs/dbraw/zinc/88/40/25/483884025.db2.gz	NCXCBVJQZJCPAA-SJORKVTESA-N	0	3	370.538	-0.010	10	0		FBAEHN
CC[C@@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CCN1C[C@@H](C)O	ZINC000106103349	243141732	/nfs/dbraw/zinc/14/17/32/243141732.db2.gz	HNFMCFBUVRFJMQ-VXGBXAGGSA-N	0	3	364.450	-0.763	10	0		FBAEHN
CC[C@H]1CN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CCN1C[C@@H](C)O	ZINC000106103351	243142241	/nfs/dbraw/zinc/14/22/41/243142241.db2.gz	HNFMCFBUVRFJMQ-NEPJUHHUSA-N	0	3	364.450	-0.763	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(CCC(=O)N3CCOCC3)CC2)C1	ZINC000106121293	243141900	/nfs/dbraw/zinc/14/19/00/243141900.db2.gz	NZQMKTQIPNXNQC-GOSISDBHSA-N	0	3	368.522	-0.038	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(CCC(=O)N3CCOCC3)CC2)C1	ZINC000106121296	535216107	/nfs/dbraw/zinc/21/61/07/535216107.db2.gz	NZQMKTQIPNXNQC-SFHVURJKSA-N	0	3	368.522	-0.038	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(CCN3C(=O)CCC3=O)CC2)C1	ZINC000106124150	243144099	/nfs/dbraw/zinc/14/40/99/243144099.db2.gz	ZZNIXJQDIDNMKP-MRXNPFEDSA-N	0	3	352.479	-0.138	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(CCN3C(=O)CCC3=O)CC2)C1	ZINC000106124154	535216286	/nfs/dbraw/zinc/21/62/86/535216286.db2.gz	ZZNIXJQDIDNMKP-INIZCTEOSA-N	0	3	352.479	-0.138	10	0		FBAEHN
C[C@H](NC(=O)CN(C)C1CCN(CCn2cccn2)CC1)C(=O)N(C)C	ZINC000106128872	243143465	/nfs/dbraw/zinc/14/34/65/243143465.db2.gz	OLCNSTUNKNQEEZ-HNNXBMFYSA-N	0	3	364.494	-0.128	10	0		FBAEHN
C[C@@H](NC(=O)CN(C)C1CCN(CCn2cccn2)CC1)C(=O)N(C)C	ZINC000106128876	243143170	/nfs/dbraw/zinc/14/31/70/243143170.db2.gz	OLCNSTUNKNQEEZ-OAHLLOKOSA-N	0	3	364.494	-0.128	10	0		FBAEHN
COC(=O)CCNC(=O)CN(C)C1CCN(CCn2cccn2)CC1	ZINC000106129475	243143985	/nfs/dbraw/zinc/14/39/85/243143985.db2.gz	GNHVHNGGOJITKR-UHFFFAOYSA-N	0	3	351.451	-0.041	10	0		FBAEHN
Cn1c2ncn(CCN3CCC[C@H](Cn4cncn4)C3)c2c(=O)n(C)c1=O	ZINC000106174844	243143314	/nfs/dbraw/zinc/14/33/14/243143314.db2.gz	VZQMEKHZCNWUDG-ZDUSSCGKSA-N	0	3	372.433	-0.563	10	0		FBAEHN
Cn1c2ncn(CCN3CCC[C@@H](Cn4cncn4)C3)c2c(=O)n(C)c1=O	ZINC000106174847	243140536	/nfs/dbraw/zinc/14/05/36/243140536.db2.gz	VZQMEKHZCNWUDG-CYBMUJFWSA-N	0	3	372.433	-0.563	10	0		FBAEHN
CN(C)C[C@@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1	ZINC000107305432	243147097	/nfs/dbraw/zinc/14/70/97/243147097.db2.gz	PVGPRAVNMRJBIQ-CYBMUJFWSA-N	0	3	364.450	-0.914	10	0		FBAEHN
CN(C)C[C@H]1CN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCO1	ZINC000107305435	535969867	/nfs/dbraw/zinc/96/98/67/535969867.db2.gz	PVGPRAVNMRJBIQ-ZDUSSCGKSA-N	0	3	364.450	-0.914	10	0		FBAEHN
CN(C(=O)Cn1ccc(=O)n(C)c1=O)C1CCN(CCn2cccn2)CC1	ZINC000109292292	243151684	/nfs/dbraw/zinc/15/16/84/243151684.db2.gz	LWUFNAQKESSKRR-UHFFFAOYSA-N	0	3	374.445	-0.634	10	0		FBAEHN
CN(C(=O)CN1CCCS1(=O)=O)C1CCN(CCn2cccn2)CC1	ZINC000109292780	535986739	/nfs/dbraw/zinc/98/67/39/535986739.db2.gz	BZUSWFJKURLXJN-UHFFFAOYSA-N	0	3	369.491	-0.159	10	0		FBAEHN
CN(CC(=O)N(C)C1CCN(CCn2cccn2)CC1)S(C)(=O)=O	ZINC000109293339	536166417	/nfs/dbraw/zinc/16/64/17/536166417.db2.gz	YXXVWPMMXRQKNU-UHFFFAOYSA-N	0	3	357.480	-0.303	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C[C@H](O)CN3CCCC3=O)CC2)C1	ZINC000111690429	484641964	/nfs/dbraw/zinc/64/19/64/484641964.db2.gz	GCHWALCBOZGJST-ZWKOTPCHSA-N	0	3	368.522	-0.304	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C[C@H](O)CN3CCCC3=O)CC2)C1	ZINC000111690431	484641674	/nfs/dbraw/zinc/64/16/74/484641674.db2.gz	GCHWALCBOZGJST-ROUUACIJSA-N	0	3	368.522	-0.304	10	0		FBAEHN
C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000112548755	243153548	/nfs/dbraw/zinc/15/35/48/243153548.db2.gz	VJFOWHWPJLQJGS-LSDHHAIUSA-N	0	3	364.446	-0.127	10	0		FBAEHN
C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000112548758	243155207	/nfs/dbraw/zinc/15/52/07/243155207.db2.gz	VJFOWHWPJLQJGS-HUUCEWRRSA-N	0	3	364.446	-0.127	10	0		FBAEHN
C[C@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000112548759	243155322	/nfs/dbraw/zinc/15/53/22/243155322.db2.gz	VJFOWHWPJLQJGS-GJZGRUSLSA-N	0	3	364.446	-0.127	10	0		FBAEHN
C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000112548762	243156835	/nfs/dbraw/zinc/15/68/35/243156835.db2.gz	VJFOWHWPJLQJGS-CABCVRRESA-N	0	3	364.446	-0.127	10	0		FBAEHN
C[C@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112550359	243155878	/nfs/dbraw/zinc/15/58/78/243155878.db2.gz	WNVUJFSQGJJTJB-UONOGXRCSA-N	0	3	356.434	-0.290	10	0		FBAEHN
C[C@@H](N[C@@H]1CCc2ncnn2C1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112550360	243157661	/nfs/dbraw/zinc/15/76/61/243157661.db2.gz	WNVUJFSQGJJTJB-ZIAGYGMSSA-N	0	3	356.434	-0.290	10	0		FBAEHN
C[C@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112550362	243157552	/nfs/dbraw/zinc/15/75/52/243157552.db2.gz	WNVUJFSQGJJTJB-KBPBESRZSA-N	0	3	356.434	-0.290	10	0		FBAEHN
C[C@@H](N[C@H]1CCc2ncnn2C1)C(=O)N1CCN(c2ncccn2)CC1	ZINC000112550364	243157623	/nfs/dbraw/zinc/15/76/23/243157623.db2.gz	WNVUJFSQGJJTJB-KGLIPLIRSA-N	0	3	356.434	-0.290	10	0		FBAEHN
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000113226579	243157322	/nfs/dbraw/zinc/15/73/22/243157322.db2.gz	QIXQLDUZCVNEGA-NXEZZACHSA-N	0	3	371.235	-0.006	10	0		FBAEHN
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000113226579	243157313	/nfs/dbraw/zinc/15/73/13/243157313.db2.gz	QIXQLDUZCVNEGA-NXEZZACHSA-N	0	3	371.235	-0.006	10	0		FBAEHN
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000113226581	243157759	/nfs/dbraw/zinc/15/77/59/243157759.db2.gz	QIXQLDUZCVNEGA-VHSXEESVSA-N	0	3	371.235	-0.006	10	0		FBAEHN
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000113226581	243157753	/nfs/dbraw/zinc/15/77/53/243157753.db2.gz	QIXQLDUZCVNEGA-VHSXEESVSA-N	0	3	371.235	-0.006	10	0		FBAEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000113227677	243155131	/nfs/dbraw/zinc/15/51/31/243155131.db2.gz	NFMZFYXLMNSMLD-VXGBXAGGSA-N	0	3	357.414	-0.059	10	0		FBAEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	ZINC000113227679	243155410	/nfs/dbraw/zinc/15/54/10/243155410.db2.gz	NFMZFYXLMNSMLD-NWDGAFQWSA-N	0	3	357.414	-0.059	10	0		FBAEHN
C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000113228901	243155226	/nfs/dbraw/zinc/15/52/26/243155226.db2.gz	KOPUOIDAGPMILW-DGCLKSJQSA-N	0	3	357.414	-0.059	10	0		FBAEHN
C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	ZINC000113228903	243153826	/nfs/dbraw/zinc/15/38/26/243153826.db2.gz	KOPUOIDAGPMILW-WCQYABFASA-N	0	3	357.414	-0.059	10	0		FBAEHN
Cn1cc([C@@H]2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)cn1	ZINC000116310686	243160153	/nfs/dbraw/zinc/16/01/53/243160153.db2.gz	FAZKJLWKJSPHAT-GFCCVEGCSA-N	0	3	357.418	-0.343	10	0		FBAEHN
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CN(C)C[C@H]1CN(C(=O)CCn2c3ccccc3c(=O)[nH]c2=O)CCO1	ZINC000116784233	535967977	/nfs/dbraw/zinc/96/79/77/535967977.db2.gz	PDHIIMYAXRGYIO-ZDUSSCGKSA-N	0	3	360.414	-0.131	10	0		FBAEHN
CN(C)C[C@@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCO1	ZINC000116786389	243160857	/nfs/dbraw/zinc/16/08/57/243160857.db2.gz	WZKJGZFNDYPWHD-CYBMUJFWSA-N	0	3	360.414	-0.131	10	0		FBAEHN
CN(C)C[C@H]1CN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CCO1	ZINC000116786393	535967646	/nfs/dbraw/zinc/96/76/46/535967646.db2.gz	WZKJGZFNDYPWHD-ZDUSSCGKSA-N	0	3	360.414	-0.131	10	0		FBAEHN
CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CCO1	ZINC000116900332	535948931	/nfs/dbraw/zinc/94/89/31/535948931.db2.gz	PKBGRPLIXRDQCK-GFCCVEGCSA-N	0	3	368.459	-0.172	10	0		FBAEHN
CN(C)C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CCO1	ZINC000116900334	535968907	/nfs/dbraw/zinc/96/89/07/535968907.db2.gz	PKBGRPLIXRDQCK-LBPRGKRZSA-N	0	3	368.459	-0.172	10	0		FBAEHN
CC[C@H](O)CN1CCN(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1	ZINC000118857446	243163437	/nfs/dbraw/zinc/16/34/37/243163437.db2.gz	GEAOVXGQCHJVCO-ZWKOTPCHSA-N	0	3	370.538	-0.152	10	0		FBAEHN
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CN(C)C[C@@H]1CN(CC2(CN3CCO[C@H](CN(C)C)C3)COC2)CCO1	ZINC000119411193	243165520	/nfs/dbraw/zinc/16/55/20/243165520.db2.gz	LCXMEXPGYJFMBY-QZTJIDSGSA-N	0	3	370.538	-0.472	10	0		FBAEHN
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CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000119627873	243164893	/nfs/dbraw/zinc/16/48/93/243164893.db2.gz	VXBJWZFASCRNHW-CYBMUJFWSA-N	0	3	357.480	-0.065	10	0		FBAEHN
Cn1c(=O)ccn(CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1=O	ZINC000119844929	243163723	/nfs/dbraw/zinc/16/37/23/243163723.db2.gz	SHCYGOMTRUNFLE-INIZCTEOSA-N	0	3	372.425	-0.918	10	0		FBAEHN
Cn1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1	ZINC000120028695	243163939	/nfs/dbraw/zinc/16/39/39/243163939.db2.gz	UAXNSEUIMNDBRM-HNNXBMFYSA-N	0	3	357.414	-0.106	10	0		FBAEHN
CN1CCO[C@@H]2CN(c3cc(N4C[C@@H]5OCCN(C)[C@H]5C4)ncn3)C[C@H]21	ZINC000127198553	536438953	/nfs/dbraw/zinc/43/89/53/536438953.db2.gz	FMRRZYHGCXCDJX-GEEKYZPCSA-N	0	3	360.462	-0.485	10	0		FBAEHN
CC(C)C[C@H](CN(C)C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000128900066	484594733	/nfs/dbraw/zinc/59/47/33/484594733.db2.gz	RBMJUZWCYBVENM-GFCCVEGCSA-N	0	3	364.450	-0.474	10	0		FBAEHN
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CCS(=O)(=O)NCC(=O)N(C)C1CCN(CCn2cccn2)CC1	ZINC000132984550	535669458	/nfs/dbraw/zinc/66/94/58/535669458.db2.gz	QZWXPQJPAVRAIG-UHFFFAOYSA-N	0	3	357.480	-0.255	10	0		FBAEHN
Cn1nccc1NC(=O)C(=O)NC[C@H](O)CN1CCc2ccccc2C1	ZINC000134126274	484759874	/nfs/dbraw/zinc/75/98/74/484759874.db2.gz	FWJJIBVSFNPGCU-HNNXBMFYSA-N	0	3	357.414	-0.106	10	0		FBAEHN
Cn1cc(C(=O)NCC2CCN(C[C@H](O)CN3CCCC3=O)CC2)cn1	ZINC000151077362	484269573	/nfs/dbraw/zinc/26/95/73/484269573.db2.gz	MHYIMBHTRZTKEL-INIZCTEOSA-N	0	3	363.462	-0.155	10	0		FBAEHN
Cn1cc(C(=O)NCC2CCN(C[C@@H](O)CN3CCCC3=O)CC2)cn1	ZINC000151077410	484269400	/nfs/dbraw/zinc/26/94/00/484269400.db2.gz	MHYIMBHTRZTKEL-MRXNPFEDSA-N	0	3	363.462	-0.155	10	0		FBAEHN
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000151753670	243186272	/nfs/dbraw/zinc/18/62/72/243186272.db2.gz	IDWOOSRVYVHZIO-CHWSQXEVSA-N	0	3	355.464	-0.216	10	0		FBAEHN
CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000151753670	243186266	/nfs/dbraw/zinc/18/62/66/243186266.db2.gz	IDWOOSRVYVHZIO-CHWSQXEVSA-N	0	3	355.464	-0.216	10	0		FBAEHN
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000151753747	243185182	/nfs/dbraw/zinc/18/51/82/243185182.db2.gz	IDWOOSRVYVHZIO-QWHCGFSZSA-N	0	3	355.464	-0.216	10	0		FBAEHN
CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000151753747	243185176	/nfs/dbraw/zinc/18/51/76/243185176.db2.gz	IDWOOSRVYVHZIO-QWHCGFSZSA-N	0	3	355.464	-0.216	10	0		FBAEHN
Cn1c2ncn(CCN3CC[C@H](Oc4cccnc4)C3)c2c(=O)n(C)c1=O	ZINC000152490831	243186870	/nfs/dbraw/zinc/18/68/70/243186870.db2.gz	OFDGFQGSFWAKQW-AWEZNQCLSA-N	0	3	370.413	-0.018	10	0		FBAEHN
Cn1c2ncn(CCN3CC[C@@H](Oc4cccnc4)C3)c2c(=O)n(C)c1=O	ZINC000152490933	243185662	/nfs/dbraw/zinc/18/56/62/243185662.db2.gz	OFDGFQGSFWAKQW-CQSZACIVSA-N	0	3	370.413	-0.018	10	0		FBAEHN
Cn1cc(NC(=O)C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cn1	ZINC000153239989	243192844	/nfs/dbraw/zinc/19/28/44/243192844.db2.gz	VRNXFUVGJRSELG-INIZCTEOSA-N	0	3	357.414	-0.106	10	0		FBAEHN
CCn1c(N)c(C(=O)CN2CCC[C@@H]2Cn2ccnc2C)c(=O)[nH]c1=O	ZINC000154570081	243190539	/nfs/dbraw/zinc/19/05/39/243190539.db2.gz	ORGIUVBQYSGRMJ-GFCCVEGCSA-N	0	3	360.418	-0.009	10	0		FBAEHN
CCn1c(N)c(C(=O)CN2CCC[C@H]2Cn2ccnc2C)c(=O)[nH]c1=O	ZINC000154570204	243190006	/nfs/dbraw/zinc/19/00/06/243190006.db2.gz	ORGIUVBQYSGRMJ-LBPRGKRZSA-N	0	3	360.418	-0.009	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C[C@H](O)CN3CCOCC3)CC2)C1	ZINC000155103143	243192276	/nfs/dbraw/zinc/19/22/76/243192276.db2.gz	LIYFAPJPTUCUNJ-RBUKOAKNSA-N	0	3	370.538	-0.594	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C[C@H](O)CN3CCOCC3)CC2)C1	ZINC000155103255	535215246	/nfs/dbraw/zinc/21/52/46/535215246.db2.gz	LIYFAPJPTUCUNJ-OALUTQOASA-N	0	3	370.538	-0.594	10	0		FBAEHN
C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@H](CN(C)C)C1	ZINC000155279475	243190941	/nfs/dbraw/zinc/19/09/41/243190941.db2.gz	JVKDENKBIXXHND-JKSUJKDBSA-N	0	3	362.478	-0.224	10	0		FBAEHN
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@H](CN(C)C)C1	ZINC000155279581	243192295	/nfs/dbraw/zinc/19/22/95/243192295.db2.gz	JVKDENKBIXXHND-HZPDHXFCSA-N	0	3	362.478	-0.224	10	0		FBAEHN
CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@H](CN(C)C)C2)C1	ZINC000155336691	535119209	/nfs/dbraw/zinc/11/92/09/535119209.db2.gz	WODNJYYLICHEQK-IAGOWNOFSA-N	0	3	356.511	-0.278	10	0		FBAEHN
CC(C)CN1CCO[C@@H](CNC(=O)CN2CCO[C@H](CN(C)C)C2)C1	ZINC000155336796	535108760	/nfs/dbraw/zinc/10/87/60/535108760.db2.gz	WODNJYYLICHEQK-DLBZAZTESA-N	0	3	356.511	-0.278	10	0		FBAEHN
CN(C)C[C@@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CCO1	ZINC000155373999	243190664	/nfs/dbraw/zinc/19/06/64/243190664.db2.gz	YMVIMWMLDXUXCY-MRXNPFEDSA-N	0	3	362.478	-0.222	10	0		FBAEHN
CN(C)C[C@H]1CN(CCC(=O)N2CCN(c3ncccn3)CC2)CCO1	ZINC000155374109	535969336	/nfs/dbraw/zinc/96/93/36/535969336.db2.gz	YMVIMWMLDXUXCY-INIZCTEOSA-N	0	3	362.478	-0.222	10	0		FBAEHN
CC(C)N1C[C@@H](C)[C@@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1	ZINC000155623679	243194665	/nfs/dbraw/zinc/19/46/65/243194665.db2.gz	ZEMSPVIZEDPNRX-NEPJUHHUSA-N	0	3	362.434	-0.721	10	0		FBAEHN
CC(C)N1C[C@H](NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C)C1	ZINC000155623789	243196966	/nfs/dbraw/zinc/19/69/66/243196966.db2.gz	ZEMSPVIZEDPNRX-RYUDHWBXSA-N	0	3	362.434	-0.721	10	0		FBAEHN
CC(C)C[C@@H](CN(C)C)NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O	ZINC000156622526	485262017	/nfs/dbraw/zinc/26/20/17/485262017.db2.gz	AQLUNDBQVKLVHR-NSHDSACASA-N	0	3	364.450	-0.025	10	0		FBAEHN
CC(C)C[C@H](CN(C)C)NC(=O)CCc1nc2c([nH]1)n(C)c(=O)[nH]c2=O	ZINC000156622648	485262168	/nfs/dbraw/zinc/26/21/68/485262168.db2.gz	AQLUNDBQVKLVHR-LLVKDONJSA-N	0	3	364.450	-0.025	10	0		FBAEHN
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1C[C@H](O)CN1	ZINC000167281853	536173894	/nfs/dbraw/zinc/17/38/94/536173894.db2.gz	MAYNWSLYDYIELG-UWVGGRQHSA-N	0	3	357.208	-0.036	10	0		FBAEHN
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1C[C@H](O)CN1	ZINC000167281960	536174675	/nfs/dbraw/zinc/17/46/75/536174675.db2.gz	MAYNWSLYDYIELG-VHSXEESVSA-N	0	3	357.208	-0.036	10	0		FBAEHN
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]1C[C@@H](O)CN1	ZINC000167282068	536174519	/nfs/dbraw/zinc/17/45/19/536174519.db2.gz	MAYNWSLYDYIELG-ZJUUUORDSA-N	0	3	357.208	-0.036	10	0		FBAEHN
CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H]1C[C@@H](O)CN1	ZINC000167282164	536174209	/nfs/dbraw/zinc/17/42/09/536174209.db2.gz	MAYNWSLYDYIELG-NXEZZACHSA-N	0	3	357.208	-0.036	10	0		FBAEHN
CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C1	ZINC000171268671	484002001	/nfs/dbraw/zinc/00/20/01/484002001.db2.gz	XWLXUNVFNOPPCS-ZDUSSCGKSA-N	0	3	357.480	-0.003	10	0		FBAEHN
CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C1	ZINC000171268677	484002499	/nfs/dbraw/zinc/00/24/99/484002499.db2.gz	XWLXUNVFNOPPCS-CYBMUJFWSA-N	0	3	357.480	-0.003	10	0		FBAEHN
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1C	ZINC000171279060	243203695	/nfs/dbraw/zinc/20/36/95/243203695.db2.gz	PWWGCWKMTHATNA-CYBMUJFWSA-N	0	3	355.464	-0.296	10	0		FBAEHN
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1C	ZINC000171279060	243203688	/nfs/dbraw/zinc/20/36/88/243203688.db2.gz	PWWGCWKMTHATNA-CYBMUJFWSA-N	0	3	355.464	-0.296	10	0		FBAEHN
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1C	ZINC000171279066	243202867	/nfs/dbraw/zinc/20/28/67/243202867.db2.gz	PWWGCWKMTHATNA-ZDUSSCGKSA-N	0	3	355.464	-0.296	10	0		FBAEHN
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1C	ZINC000171279066	243202860	/nfs/dbraw/zinc/20/28/60/243202860.db2.gz	PWWGCWKMTHATNA-ZDUSSCGKSA-N	0	3	355.464	-0.296	10	0		FBAEHN
Cn1cnc2c1c(=O)n(CCCN1CCC[C@H](n3cncn3)C1)c(=O)n2C	ZINC000171527751	243207193	/nfs/dbraw/zinc/20/71/93/243207193.db2.gz	GGZJKKFZDNFHFZ-ZDUSSCGKSA-N	0	3	372.433	-0.248	10	0		FBAEHN
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CC(C)N1CCO[C@H](CN2CCN(C[C@H](O)Cn3cccn3)CC2)C1	ZINC000171638854	243209509	/nfs/dbraw/zinc/20/95/09/243209509.db2.gz	IEQBODUDPGYHQI-ZWKOTPCHSA-N	0	3	351.495	-0.029	10	0		FBAEHN
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CC[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCN1CCOC	ZINC000173680685	484255245	/nfs/dbraw/zinc/25/52/45/484255245.db2.gz	VHSFWTHEERRLJV-CQSZACIVSA-N	0	3	359.496	-0.259	10	0		FBAEHN
CC[C@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)CCN1CCOC	ZINC000173680697	484254940	/nfs/dbraw/zinc/25/49/40/484254940.db2.gz	VHSFWTHEERRLJV-AWEZNQCLSA-N	0	3	359.496	-0.259	10	0		FBAEHN
CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000173726998	243211582	/nfs/dbraw/zinc/21/15/82/243211582.db2.gz	PIPDOFIHQNAXAW-VXGBXAGGSA-N	0	3	356.448	-0.669	10	0		FBAEHN
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Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CCO2)c1	ZINC000174805458	243216791	/nfs/dbraw/zinc/21/67/91/243216791.db2.gz	QCCVPUUTALVBGN-HZPDHXFCSA-N	0	3	363.462	-0.171	10	0		FBAEHN
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Cc1cnn(C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CCO2)c1	ZINC000174805471	243217503	/nfs/dbraw/zinc/21/75/03/243217503.db2.gz	QCCVPUUTALVBGN-JKSUJKDBSA-N	0	3	363.462	-0.171	10	0		FBAEHN
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CCN1CCC[C@H]1CN(C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	ZINC000177035507	535586934	/nfs/dbraw/zinc/58/69/34/535586934.db2.gz	LEJGESPXHNABKU-LBPRGKRZSA-N	0	3	362.434	-0.624	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C(=O)CCc3nc[nH]n3)CC2)C1	ZINC000177199781	484492597	/nfs/dbraw/zinc/49/25/97/484492597.db2.gz	JXPPFZUIUMTXAK-OAHLLOKOSA-N	0	3	350.467	-0.009	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C(=O)CCc3nnc[nH]3)CC2)C1	ZINC000177199781	484492593	/nfs/dbraw/zinc/49/25/93/484492593.db2.gz	JXPPFZUIUMTXAK-OAHLLOKOSA-N	0	3	350.467	-0.009	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)CCc3nc[nH]n3)CC2)C1	ZINC000177199797	484493524	/nfs/dbraw/zinc/49/35/24/484493524.db2.gz	JXPPFZUIUMTXAK-HNNXBMFYSA-N	0	3	350.467	-0.009	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)CCc3nnc[nH]3)CC2)C1	ZINC000177199797	484493519	/nfs/dbraw/zinc/49/35/19/484493519.db2.gz	JXPPFZUIUMTXAK-HNNXBMFYSA-N	0	3	350.467	-0.009	10	0		FBAEHN
CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000177704814	483441394	/nfs/dbraw/zinc/44/13/94/483441394.db2.gz	PRRHUZCRAJHXIT-NWDGAFQWSA-N	0	3	351.451	-0.347	10	0		FBAEHN
CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000177704824	483441871	/nfs/dbraw/zinc/44/18/71/483441871.db2.gz	PRRHUZCRAJHXIT-RYUDHWBXSA-N	0	3	351.451	-0.347	10	0		FBAEHN
CC(C)N(CCCNC(=O)CN1CCN2CCC[C@@H]2C1)S(C)(=O)=O	ZINC000177713194	484494547	/nfs/dbraw/zinc/49/45/47/484494547.db2.gz	NLVCOFGLPRDXBD-OAHLLOKOSA-N	0	3	360.524	-0.057	10	0		FBAEHN
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CC(C)N1CCO[C@@H](CN2CCN(CC(=O)N3CCN(C)CC3)CC2)C1	ZINC000180477691	535213849	/nfs/dbraw/zinc/21/38/49/535213849.db2.gz	QDQDLAWZMJLCGI-SFHVURJKSA-N	0	3	367.538	-0.513	10	0		FBAEHN
CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1	ZINC000181031110	243232629	/nfs/dbraw/zinc/23/26/29/243232629.db2.gz	GZUVMRRRIRLBOG-AWEZNQCLSA-N	0	3	358.402	-0.328	10	0		FBAEHN
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Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4CCC[C@@H]4C3)cc2)c1=O	ZINC000181048888	243234531	/nfs/dbraw/zinc/23/45/31/243234531.db2.gz	YPWBWWXTTGNXFH-OAHLLOKOSA-N	0	3	370.413	-0.184	10	0		FBAEHN
Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN4CCC[C@H]4C3)cc2)c1=O	ZINC000181048910	243233204	/nfs/dbraw/zinc/23/32/04/243233204.db2.gz	YPWBWWXTTGNXFH-HNNXBMFYSA-N	0	3	370.413	-0.184	10	0		FBAEHN
COCCN1CCN(CC(O)CN2CCN(CCOC)[C@H](C)C2)C[C@H]1C	ZINC000181800092	484456518	/nfs/dbraw/zinc/45/65/18/484456518.db2.gz	FPAPVVRUIIWFOM-QZTJIDSGSA-N	0	3	372.554	-0.348	10	0		FBAEHN
CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1	ZINC000181844051	484265771	/nfs/dbraw/zinc/26/57/71/484265771.db2.gz	QHASPURWOQOVOF-SJORKVTESA-N	0	3	355.527	-0.032	10	0		FBAEHN
CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1	ZINC000181844071	484265273	/nfs/dbraw/zinc/26/52/73/484265273.db2.gz	QHASPURWOQOVOF-IAGOWNOFSA-N	0	3	355.527	-0.032	10	0		FBAEHN
CC[C@H](O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1	ZINC000181844089	484265316	/nfs/dbraw/zinc/26/53/16/484265316.db2.gz	QHASPURWOQOVOF-IRXDYDNUSA-N	0	3	355.527	-0.032	10	0		FBAEHN
CC[C@@H](O)CN1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1	ZINC000181844111	484265673	/nfs/dbraw/zinc/26/56/73/484265673.db2.gz	QHASPURWOQOVOF-DLBZAZTESA-N	0	3	355.527	-0.032	10	0		FBAEHN
CN(C)Cc1ccc(N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)nc1	ZINC000181906160	536012660	/nfs/dbraw/zinc/01/26/60/536012660.db2.gz	ZNUHBRMOZJNKCF-UHFFFAOYSA-N	0	3	359.434	-0.613	10	0		FBAEHN
CC[C@@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1	ZINC000182557202	535653338	/nfs/dbraw/zinc/65/33/38/535653338.db2.gz	QXSZZKBRIOFTEQ-BXUZGUMPSA-N	0	3	357.480	-0.065	10	0		FBAEHN
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Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H]1CN(C)CCO1	ZINC000186618257	484291541	/nfs/dbraw/zinc/29/15/41/484291541.db2.gz	SSEKTPXBWWCADD-CQSZACIVSA-N	0	3	359.496	-0.330	10	0		FBAEHN
Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H]1CN(C)CCO1	ZINC000186618273	484292542	/nfs/dbraw/zinc/29/25/42/484292542.db2.gz	SSEKTPXBWWCADD-AWEZNQCLSA-N	0	3	359.496	-0.330	10	0		FBAEHN
Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CCc2ncnn2C1	ZINC000189616530	484309464	/nfs/dbraw/zinc/30/94/64/484309464.db2.gz	NTSXPNIMVOXGLP-CYBMUJFWSA-N	0	3	367.479	-0.054	10	0		FBAEHN
Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CCc2ncnn2C1	ZINC000189616554	484308724	/nfs/dbraw/zinc/30/87/24/484308724.db2.gz	NTSXPNIMVOXGLP-ZDUSSCGKSA-N	0	3	367.479	-0.054	10	0		FBAEHN
CN(Cc1cccnc1)C[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)C1	ZINC000190600014	243251033	/nfs/dbraw/zinc/25/10/33/243251033.db2.gz	AHVRIETYLBLSNH-MRXNPFEDSA-N	0	3	371.441	-0.078	10	0		FBAEHN
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CN1CCN(CC2CCN(C(=O)NC[C@@H]3CN(C)CCO3)CC2)CC1	ZINC000192176244	243258039	/nfs/dbraw/zinc/25/80/39/243258039.db2.gz	HCNFWVLPOQZKKU-QGZVFWFLSA-N	0	3	353.511	-0.014	10	0		FBAEHN
CN1CCN(CC2CCN(C(=O)NC[C@H]3CN(C)CCO3)CC2)CC1	ZINC000192176249	243256721	/nfs/dbraw/zinc/25/67/21/243256721.db2.gz	HCNFWVLPOQZKKU-KRWDZBQOSA-N	0	3	353.511	-0.014	10	0		FBAEHN
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Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCCNC(=O)[C@H]1C	ZINC000192943243	484321107	/nfs/dbraw/zinc/32/11/07/484321107.db2.gz	UWEZYBRIJMPGJK-CYBMUJFWSA-N	0	3	357.480	-0.039	10	0		FBAEHN
O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195323397	243261802	/nfs/dbraw/zinc/26/18/02/243261802.db2.gz	QWLQZPSRGPLLSR-SECBINFHSA-N	0	3	357.208	-0.394	10	0		FBAEHN
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C[NH2+][C@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1	ZINC000261715349	536391971	/nfs/dbraw/zinc/39/19/71/536391971.db2.gz	KIEGMMVTGSTOMR-SECBINFHSA-N	0	3	362.477	-0.613	10	0		FBAEHN
C[NH2+][C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1	ZINC000261715352	243282345	/nfs/dbraw/zinc/28/23/45/243282345.db2.gz	KIEGMMVTGSTOMR-VIFPVBQESA-N	0	3	362.477	-0.613	10	0		FBAEHN
NC1(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCOCC1	ZINC000261760722	243284153	/nfs/dbraw/zinc/28/41/53/243284153.db2.gz	FXOGQLVGHNGDKG-UHFFFAOYSA-N	0	3	360.458	-0.045	10	0		FBAEHN
Cn1c2ncc(S(=O)(=O)N3CC[C@@H]([NH3+])C(C)(C)C3)cc2c(=O)[n-]c1=O	ZINC000261765372	243282923	/nfs/dbraw/zinc/28/29/23/243282923.db2.gz	ROVDCVGIMGCLIP-LLVKDONJSA-N	0	3	367.431	-0.218	10	0		FBAEHN
Cn1c2ncc(S(=O)(=O)N3CC[C@H]([NH3+])C(C)(C)C3)cc2c(=O)[n-]c1=O	ZINC000261765375	243284206	/nfs/dbraw/zinc/28/42/06/243284206.db2.gz	ROVDCVGIMGCLIP-NSHDSACASA-N	0	3	367.431	-0.218	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)C3(N)CCOCC3)CC2)C1	ZINC000261784845	535212077	/nfs/dbraw/zinc/21/20/77/535212077.db2.gz	HRDQYVUYRGSINW-INIZCTEOSA-N	0	3	354.495	-0.252	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C(=O)C3(N)CCOCC3)CC2)C1	ZINC000261784849	535221967	/nfs/dbraw/zinc/22/19/67/535221967.db2.gz	HRDQYVUYRGSINW-MRXNPFEDSA-N	0	3	354.495	-0.252	10	0		FBAEHN
N[C@H](C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)C1CCOCC1	ZINC000261798757	243286484	/nfs/dbraw/zinc/28/64/84/243286484.db2.gz	NZVORVFMFJYTJG-AWEZNQCLSA-N	0	3	354.432	-0.055	10	0		FBAEHN
N[C@@H](C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)C1CCOCC1	ZINC000261798759	243286685	/nfs/dbraw/zinc/28/66/85/243286685.db2.gz	NZVORVFMFJYTJG-CQSZACIVSA-N	0	3	354.432	-0.055	10	0		FBAEHN
N[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCOCC1	ZINC000261801578	243286174	/nfs/dbraw/zinc/28/61/74/243286174.db2.gz	GYYWCWDQFWYWES-GFCCVEGCSA-N	0	3	351.494	-0.765	10	0		FBAEHN
N[C@H](C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCOCC1	ZINC000261801582	243285449	/nfs/dbraw/zinc/28/54/49/243285449.db2.gz	GYYWCWDQFWYWES-LBPRGKRZSA-N	0	3	351.494	-0.765	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)C1	ZINC000261807791	243285514	/nfs/dbraw/zinc/28/55/14/243285514.db2.gz	ONPFJVJXGOIACJ-MSOLQXFVSA-N	0	3	368.522	-0.006	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)C1	ZINC000261807792	243286117	/nfs/dbraw/zinc/28/61/17/243286117.db2.gz	ONPFJVJXGOIACJ-QZTJIDSGSA-N	0	3	368.522	-0.006	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)C1	ZINC000261807793	535211457	/nfs/dbraw/zinc/21/14/57/535211457.db2.gz	ONPFJVJXGOIACJ-ROUUACIJSA-N	0	3	368.522	-0.006	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)C1	ZINC000261807796	535211730	/nfs/dbraw/zinc/21/17/30/535211730.db2.gz	ONPFJVJXGOIACJ-ZWKOTPCHSA-N	0	3	368.522	-0.006	10	0		FBAEHN
N[C@H](C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C1CCOCC1	ZINC000261807894	243286775	/nfs/dbraw/zinc/28/67/75/243286775.db2.gz	OOMVYLSUKARRBT-KRWDZBQOSA-N	0	3	352.479	-0.103	10	0		FBAEHN
N[C@@H](C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C1CCOCC1	ZINC000261807896	243285962	/nfs/dbraw/zinc/28/59/62/243285962.db2.gz	OOMVYLSUKARRBT-QGZVFWFLSA-N	0	3	352.479	-0.103	10	0		FBAEHN
NC1(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CCOCC1	ZINC000261820048	243285615	/nfs/dbraw/zinc/28/56/15/243285615.db2.gz	KBWXKMWAIVVYGU-UHFFFAOYSA-N	0	3	360.458	-0.045	10	0		FBAEHN
N[C@H](C(=O)N1CCCN(CC(=O)N2CCCC2)CC1)C1CCOCC1	ZINC000261839993	243286624	/nfs/dbraw/zinc/28/66/24/243286624.db2.gz	IPAUCWFLUUPTEB-KRWDZBQOSA-N	0	3	352.479	-0.103	10	0		FBAEHN
N[C@@H](C(=O)N1CCCN(CC(=O)N2CCCC2)CC1)C1CCOCC1	ZINC000261839996	243285315	/nfs/dbraw/zinc/28/53/15/243285315.db2.gz	IPAUCWFLUUPTEB-QGZVFWFLSA-N	0	3	352.479	-0.103	10	0		FBAEHN
Cc1cc(NC(=O)CN2CCN(C(=O)C3(N)CCOCC3)CC2)no1	ZINC000261840841	243285333	/nfs/dbraw/zinc/28/53/33/243285333.db2.gz	LRFXAOQOWUJPGL-UHFFFAOYSA-N	0	3	351.407	-0.426	10	0		FBAEHN
C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000261842504	536343672	/nfs/dbraw/zinc/34/36/72/536343672.db2.gz	WLOZOHKMYNCGJD-BJOHPYRUSA-N	0	3	370.431	-0.364	10	0		FBAEHN
C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000261842505	536403245	/nfs/dbraw/zinc/40/32/45/536403245.db2.gz	WLOZOHKMYNCGJD-PSLIRLAXSA-N	0	3	370.431	-0.364	10	0		FBAEHN
C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)[N-]C2=O)c1	ZINC000261842506	536403426	/nfs/dbraw/zinc/40/34/26/536403426.db2.gz	WLOZOHKMYNCGJD-RFAUZJTJSA-N	0	3	370.431	-0.364	10	0		FBAEHN
C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)[N-]C2=O)c1	ZINC000261842507	536343593	/nfs/dbraw/zinc/34/35/93/536343593.db2.gz	WLOZOHKMYNCGJD-VFZGTOFNSA-N	0	3	370.431	-0.364	10	0		FBAEHN
CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H](N)C3CCOCC3)cn2)CC1	ZINC000261860491	536404693	/nfs/dbraw/zinc/40/46/93/536404693.db2.gz	SCVIWAJYFAZTNK-INIZCTEOSA-N	0	3	364.450	-0.651	10	0		FBAEHN
CN1CCN(C(=O)Cn2cc(NC(=O)[C@H](N)C3CCOCC3)cn2)CC1	ZINC000261860494	536404777	/nfs/dbraw/zinc/40/47/77/536404777.db2.gz	SCVIWAJYFAZTNK-MRXNPFEDSA-N	0	3	364.450	-0.651	10	0		FBAEHN
Cc1nc2c(cnn2C)c(N2CCN(C(=O)C3(N)CCOCC3)CC2)n1	ZINC000261861897	243290088	/nfs/dbraw/zinc/29/00/88/243290088.db2.gz	NEQLPTOJDYGOKQ-UHFFFAOYSA-N	0	3	359.434	-0.172	10	0		FBAEHN
NC1(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CCOCC1	ZINC000261894404	243288946	/nfs/dbraw/zinc/28/89/46/243288946.db2.gz	QXTOMOPOEBZNMF-UHFFFAOYSA-N	0	3	371.445	-0.186	10	0		FBAEHN
Cc1cc(N2CCN(C(=O)[C@@H](N)C3CCOCC3)CC2)n2ncnc2n1	ZINC000261905664	243288800	/nfs/dbraw/zinc/28/88/00/243288800.db2.gz	WZJPKQFFUHFTDZ-HNNXBMFYSA-N	0	3	359.434	-0.165	10	0		FBAEHN
Cc1cc(N2CCN(C(=O)[C@H](N)C3CCOCC3)CC2)n2ncnc2n1	ZINC000261905668	243289800	/nfs/dbraw/zinc/28/98/00/243289800.db2.gz	WZJPKQFFUHFTDZ-OAHLLOKOSA-N	0	3	359.434	-0.165	10	0		FBAEHN
NC1(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CCOCC1	ZINC000261919423	243288344	/nfs/dbraw/zinc/28/83/44/243288344.db2.gz	UTFWCQQBQNKTEJ-UHFFFAOYSA-N	0	3	374.507	-0.241	10	0		FBAEHN
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](N)C2CCOCC2)CC1	ZINC000261926820	243289146	/nfs/dbraw/zinc/28/91/46/243289146.db2.gz	ZIZRMGHPGRIHNH-GDBMZVCRSA-N	0	3	370.494	-0.574	10	0		FBAEHN
COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](N)C2CCOCC2)CC1	ZINC000261926823	536585335	/nfs/dbraw/zinc/58/53/35/536585335.db2.gz	ZIZRMGHPGRIHNH-GOEBONIOSA-N	0	3	370.494	-0.574	10	0		FBAEHN
COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1	ZINC000261926826	536584816	/nfs/dbraw/zinc/58/48/16/536584816.db2.gz	ZIZRMGHPGRIHNH-HOCLYGCPSA-N	0	3	370.494	-0.574	10	0		FBAEHN
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1	ZINC000261926828	243289959	/nfs/dbraw/zinc/28/99/59/243289959.db2.gz	ZIZRMGHPGRIHNH-ZBFHGGJFSA-N	0	3	370.494	-0.574	10	0		FBAEHN
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1C	ZINC000261955584	243291155	/nfs/dbraw/zinc/29/11/55/243291155.db2.gz	ZRTTZFDOEKCTAW-GFCCVEGCSA-N	0	3	357.480	-0.017	10	0		FBAEHN
Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cn1C	ZINC000261955593	243291601	/nfs/dbraw/zinc/29/16/01/243291601.db2.gz	ZRTTZFDOEKCTAW-LBPRGKRZSA-N	0	3	357.480	-0.017	10	0		FBAEHN
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC)CC2)cc1	ZINC000261994496	243290712	/nfs/dbraw/zinc/29/07/12/243290712.db2.gz	NFYAFLOGOVEWTR-UHFFFAOYSA-N	0	3	369.443	-0.084	10	0		FBAEHN
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](N)C2CCOCC2)CC1	ZINC000262006561	243293735	/nfs/dbraw/zinc/29/37/35/243293735.db2.gz	NWBMCRMABPUJEK-GDBMZVCRSA-N	0	3	352.479	-0.105	10	0		FBAEHN
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H](N)C2CCOCC2)CC1	ZINC000262006567	243294943	/nfs/dbraw/zinc/29/49/43/243294943.db2.gz	NWBMCRMABPUJEK-GOEBONIOSA-N	0	3	352.479	-0.105	10	0		FBAEHN
C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1	ZINC000262006573	243293362	/nfs/dbraw/zinc/29/33/62/243293362.db2.gz	NWBMCRMABPUJEK-HOCLYGCPSA-N	0	3	352.479	-0.105	10	0		FBAEHN
C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H](N)C2CCOCC2)CC1	ZINC000262006580	243293434	/nfs/dbraw/zinc/29/34/34/243293434.db2.gz	NWBMCRMABPUJEK-ZBFHGGJFSA-N	0	3	352.479	-0.105	10	0		FBAEHN
N[C@H](C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1CCOCC1	ZINC000262064705	243294784	/nfs/dbraw/zinc/29/47/84/243294784.db2.gz	RZNSBKIZTKXYNR-KBPBESRZSA-N	0	3	363.480	-0.655	10	0		FBAEHN
N[C@H](C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1CCOCC1	ZINC000262064708	243295165	/nfs/dbraw/zinc/29/51/65/243295165.db2.gz	RZNSBKIZTKXYNR-KGLIPLIRSA-N	0	3	363.480	-0.655	10	0		FBAEHN
N[C@@H](C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C1CCOCC1	ZINC000262064710	243294089	/nfs/dbraw/zinc/29/40/89/243294089.db2.gz	RZNSBKIZTKXYNR-UONOGXRCSA-N	0	3	363.480	-0.655	10	0		FBAEHN
N[C@@H](C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)C1CCOCC1	ZINC000262064715	243294971	/nfs/dbraw/zinc/29/49/71/243294971.db2.gz	RZNSBKIZTKXYNR-ZIAGYGMSSA-N	0	3	363.480	-0.655	10	0		FBAEHN
Cc1cc(N2CCN(CCC(=O)N3CCNCC3)CC2)n2ncnc2n1	ZINC000262111767	243297661	/nfs/dbraw/zinc/29/76/61/243297661.db2.gz	MRXBJBGORURKQL-UHFFFAOYSA-N	0	3	358.450	-0.623	10	0		FBAEHN
CCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000262124344	243300193	/nfs/dbraw/zinc/30/01/93/243300193.db2.gz	JEHIHQPLKJLRPN-HZSPNIEDSA-N	0	3	362.496	-0.388	10	0		FBAEHN
CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000262124347	243299722	/nfs/dbraw/zinc/29/97/22/243299722.db2.gz	JEHIHQPLKJLRPN-IHRRRGAJSA-N	0	3	362.496	-0.388	10	0		FBAEHN
CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000262124349	243300555	/nfs/dbraw/zinc/30/05/55/243300555.db2.gz	JEHIHQPLKJLRPN-MCIONIFRSA-N	0	3	362.496	-0.388	10	0		FBAEHN
CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000262124351	243299499	/nfs/dbraw/zinc/29/94/99/243299499.db2.gz	JEHIHQPLKJLRPN-MJBXVCDLSA-N	0	3	362.496	-0.388	10	0		FBAEHN
Cc1nc2c(cnn2C)c(N2CCN(CCC(=O)N3CCNCC3)CC2)n1	ZINC000262148665	243299033	/nfs/dbraw/zinc/29/90/33/243299033.db2.gz	PCKRVISAKASLOM-UHFFFAOYSA-N	0	3	372.477	-0.384	10	0		FBAEHN
CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1	ZINC000262200147	535845442	/nfs/dbraw/zinc/84/54/42/535845442.db2.gz	VWFIJVPFMTUCAN-GXFFZTMASA-N	0	3	372.447	-0.415	10	0		FBAEHN
CC[C@@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1	ZINC000262200150	535652830	/nfs/dbraw/zinc/65/28/30/535652830.db2.gz	VWFIJVPFMTUCAN-ZWNOBZJWSA-N	0	3	372.447	-0.415	10	0		FBAEHN
CC(C)N1CCO[C@H](CN2CCN(CCC(=O)N3CCNCC3)CC2)C1	ZINC000262203862	243303591	/nfs/dbraw/zinc/30/35/91/243303591.db2.gz	SNDVQAUPCZSYGH-GOSISDBHSA-N	0	3	367.538	-0.465	10	0		FBAEHN
CC(C)N1CCO[C@@H](CN2CCN(CCC(=O)N3CCNCC3)CC2)C1	ZINC000262203863	535214377	/nfs/dbraw/zinc/21/43/77/535214377.db2.gz	SNDVQAUPCZSYGH-SFHVURJKSA-N	0	3	367.538	-0.465	10	0		FBAEHN
CCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1	ZINC000262217358	243305147	/nfs/dbraw/zinc/30/51/47/243305147.db2.gz	ZCYOGRBEAJAVDX-JTQLQIEISA-N	0	3	358.420	-0.661	10	0		FBAEHN
CCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1	ZINC000262217360	243305826	/nfs/dbraw/zinc/30/58/26/243305826.db2.gz	ZCYOGRBEAJAVDX-SNVBAGLBSA-N	0	3	358.420	-0.661	10	0		FBAEHN
COC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1	ZINC000262252357	536658775	/nfs/dbraw/zinc/65/87/75/536658775.db2.gz	ITTOVSYJODXTAA-GFCCVEGCSA-N	0	3	367.431	-0.631	10	0		FBAEHN
COC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c[n-]c3ncccc23)CC1	ZINC000262252371	243306420	/nfs/dbraw/zinc/30/64/20/243306420.db2.gz	ITTOVSYJODXTAA-LBPRGKRZSA-N	0	3	367.431	-0.631	10	0		FBAEHN
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000262267022	243307250	/nfs/dbraw/zinc/30/72/50/243307250.db2.gz	JYUCXMLWPNQTLC-LLVKDONJSA-N	0	3	357.436	-0.745	10	0		FBAEHN
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000262267028	243308599	/nfs/dbraw/zinc/30/85/99/243308599.db2.gz	JYUCXMLWPNQTLC-NSHDSACASA-N	0	3	357.436	-0.745	10	0		FBAEHN
COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C1=O	ZINC000262310525	243311730	/nfs/dbraw/zinc/31/17/30/243311730.db2.gz	BLJFQJODUUTWNS-LSJOCFKGSA-N	0	3	353.400	-0.521	10	0		FBAEHN
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CCc1noc([C@@H](C)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)n1	ZINC000263109944	243344937	/nfs/dbraw/zinc/34/49/37/243344937.db2.gz	DQFJKYYUXONBBJ-DOMZBBRYSA-N	0	3	366.466	-0.063	10	0		FBAEHN
CCc1noc([C@H](C)N2CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC2)n1	ZINC000263109945	243345589	/nfs/dbraw/zinc/34/55/89/243345589.db2.gz	DQFJKYYUXONBBJ-WFASDCNBSA-N	0	3	366.466	-0.063	10	0		FBAEHN
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CN1CCNC[C@H]1c1noc(CCn2[nH]c(=O)c3ccccc3c2=O)n1	ZINC000263122444	243345564	/nfs/dbraw/zinc/34/55/64/243345564.db2.gz	BAVQFIHQTQTKAG-ZDUSSCGKSA-N	0	3	356.386	-0.108	10	0		FBAEHN
CN1CCNC[C@@H]1c1noc(C2=CC=CN3CCS(=O)(=O)N=C23)n1	ZINC000263125164	243345550	/nfs/dbraw/zinc/34/55/50/243345550.db2.gz	BFROZXKNAADYST-LLVKDONJSA-N	0	3	350.404	-0.400	10	0		FBAEHN
CN1CCNC[C@H]1c1noc(C2=CC=CN3CCS(=O)(=O)N=C23)n1	ZINC000263125166	243345247	/nfs/dbraw/zinc/34/52/47/243345247.db2.gz	BFROZXKNAADYST-NSHDSACASA-N	0	3	350.404	-0.400	10	0		FBAEHN
CN1CCNC[C@@H]1c1noc(-c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1	ZINC000263184952	243345437	/nfs/dbraw/zinc/34/54/37/243345437.db2.gz	HEPKHEPTNLEAOB-LLVKDONJSA-N	0	3	357.374	-0.742	10	0		FBAEHN
CN1CCNC[C@H]1c1noc(-c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1	ZINC000263184954	243346251	/nfs/dbraw/zinc/34/62/51/243346251.db2.gz	HEPKHEPTNLEAOB-NSHDSACASA-N	0	3	357.374	-0.742	10	0		FBAEHN
Cc1cc(-c2nc([C@H]3CNCCN3C)no2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000263207388	243346577	/nfs/dbraw/zinc/34/65/77/243346577.db2.gz	JXPYYRXKJSARDN-LLVKDONJSA-N	0	3	371.401	-0.433	10	0		FBAEHN
Cc1cc(-c2nc([C@@H]3CNCCN3C)no2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000263207390	243345923	/nfs/dbraw/zinc/34/59/23/243345923.db2.gz	JXPYYRXKJSARDN-NSHDSACASA-N	0	3	371.401	-0.433	10	0		FBAEHN
CN1CCNC[C@@H]1c1noc(C2=CN3CCS(=O)(=O)N=C3C=C2)n1	ZINC000263215773	243346879	/nfs/dbraw/zinc/34/68/79/243346879.db2.gz	KWUIKTXNFSSICA-LLVKDONJSA-N	0	3	350.404	-0.400	10	0		FBAEHN
CN1CCNC[C@H]1c1noc(C2=CN3CCS(=O)(=O)N=C3C=C2)n1	ZINC000263215777	243347358	/nfs/dbraw/zinc/34/73/58/243347358.db2.gz	KWUIKTXNFSSICA-NSHDSACASA-N	0	3	350.404	-0.400	10	0		FBAEHN
CN1CCNC[C@@H]1c1noc(-c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1	ZINC000263234301	243344736	/nfs/dbraw/zinc/34/47/36/243344736.db2.gz	NTZBEXHYTIMQFG-LLVKDONJSA-N	0	3	357.374	-0.742	10	0		FBAEHN
CN1CCNC[C@H]1c1noc(-c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1	ZINC000263234305	243347172	/nfs/dbraw/zinc/34/71/72/243347172.db2.gz	NTZBEXHYTIMQFG-NSHDSACASA-N	0	3	357.374	-0.742	10	0		FBAEHN
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