smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=O)NC(=N)NC(=N)Nc1ccccc1	ZINC000008614415	553102032	/nfs/dbraw/zinc/10/20/32/553102032.db2.gz	CTFXRXMMYCRIFQ-TUFLPTIASA-N	0	3	565.536	-0.036	40	0		KBABHN
CSCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013508691	553467118	/nfs/dbraw/zinc/46/71/18/553467118.db2.gz	UWTASUKCZNGRDU-DKIMLUQUSA-N	0	3	523.660	-0.868	40	0		KBABHN
CO[S@](=O)(=S)CCNC(=O)[C@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000022051669	1066236535	/nfs/dbraw/zinc/23/65/35/1066236535.db2.gz	MJTZNNRYZKZYKX-JQYSWTNLSA-N	0	3	509.720	-0.250	40	0		KBABHN
CC(C)OCCCN[C@](O)(c1n[nH]cc1N)n1cc[n+]([C@@]([O-])(NCCCOC(C)C)c2n[nH]cc2N)c1	ZINC000096851615	553757470	/nfs/dbraw/zinc/75/74/70/553757470.db2.gz	WQVZCZIKOWFQNA-ZRZAMGCNSA-N	0	3	521.647	-0.503	40	0		KBABHN
CC(C)OCCCN[C@]([O-])(c1n[nH]cc1N)[n+]1ccn([C@](O)(NCCCOC(C)C)c2n[nH]cc2N)c1	ZINC000096851616	553757542	/nfs/dbraw/zinc/75/75/42/553757542.db2.gz	WQVZCZIKOWFQNA-DHIUTWEWSA-N	0	3	521.647	-0.503	40	0		KBABHN
CC(C)OCCCN[C@@]([O-])(c1n[nH]cc1N)[n+]1ccn([C@@](O)(NCCCOC(C)C)c2n[nH]cc2N)c1	ZINC000096851617	553757518	/nfs/dbraw/zinc/75/75/18/553757518.db2.gz	WQVZCZIKOWFQNA-GOTSBHOMSA-N	0	3	521.647	-0.503	40	0		KBABHN
CC(C)(C)CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(CC2CCCCC2)C3)[C@H](O)[C@@H]1O	ZINC000097976381	553969112	/nfs/dbraw/zinc/96/91/12/553969112.db2.gz	RVRAMQTZSXVMBK-QEHADNFDSA-N	0	3	591.750	-0.390	40	0		KBABHN
CC(C)(C)CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(C2Cc4ccccc4C2)C3)[C@H](O)[C@@H]1O	ZINC000097976384	553969469	/nfs/dbraw/zinc/96/94/69/553969469.db2.gz	CKWRTNJXYOWOIH-WNLDSUCZSA-N	0	3	611.740	-0.802	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)c3ccc(F)cc3)C(=O)[C@@H]3C[C@@H](CN3CC3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000097976401	553969437	/nfs/dbraw/zinc/96/94/37/553969437.db2.gz	XGGAXEBPUIYZEB-LOVBUXKDSA-N	0	3	615.703	-0.373	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](CN3CC3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000097976425	553969901	/nfs/dbraw/zinc/96/99/01/553969901.db2.gz	KSWQMBCQLMMQND-FLUKGCOCSA-N	0	3	651.758	-0.824	40	0		KBABHN
CC(C)(C)CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(C2CCC(F)(F)CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976446	553969764	/nfs/dbraw/zinc/96/97/64/553969764.db2.gz	TZEOLQQAXSYPDT-VICWBLINSA-N	0	3	613.703	-0.392	40	0		KBABHN
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(CC1CCCCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976475	553970340	/nfs/dbraw/zinc/97/03/40/553970340.db2.gz	RZGNKJTXHWPRKI-BLZXGSKESA-N	0	3	522.643	-0.905	40	0		KBABHN
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCC(F)(F)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976478	553970356	/nfs/dbraw/zinc/97/03/56/553970356.db2.gz	AGBGEAVTJYLYGW-NYWUXBNHSA-N	0	3	544.596	-0.908	40	0		KBABHN
CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976498	553970625	/nfs/dbraw/zinc/97/06/25/553970625.db2.gz	YUSFFLVIJDRFFH-VICWBLINSA-N	0	3	536.670	-0.517	40	0		KBABHN
CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCOCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976501	553970676	/nfs/dbraw/zinc/97/06/76/553970676.db2.gz	COAIEGCYVQVKDS-KWGQPBLMSA-N	0	3	566.696	-0.890	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000097976525	553970720	/nfs/dbraw/zinc/97/07/20/553970720.db2.gz	FQBMVOLTGGUEOX-GWJJQTSLSA-N	0	3	578.707	-0.746	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3CC3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000097976526	553970694	/nfs/dbraw/zinc/97/06/94/553970694.db2.gz	RILUFZVHWXIWML-LOVBUXKDSA-N	0	3	592.734	-0.499	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCC(F)(F)CC3)N1)[C@@H](O)[C@H]2O	ZINC000097976530	553970643	/nfs/dbraw/zinc/97/06/43/553970643.db2.gz	ZYOHMBANUJZGFI-OZOVVKLTSA-N	0	3	614.687	-0.501	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3Cc4ccccc4C3)N1)[C@@H](O)[C@H]2O	ZINC000097976532	553971063	/nfs/dbraw/zinc/97/10/63/553971063.db2.gz	BVFLUOAFBSVTIB-FUUVIJHQSA-N	0	3	612.724	-0.912	40	0		KBABHN
CC(C)NC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCCCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976578	553971391	/nfs/dbraw/zinc/97/13/91/553971391.db2.gz	BUVAPYUYHBDEOB-NAKVCLRQSA-N	0	3	551.685	-0.582	40	0		KBABHN
CC(C)NC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(CC1CCCCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976579	553971323	/nfs/dbraw/zinc/97/13/23/553971323.db2.gz	XWXLSTSCJMHRBI-LOIFCEGPSA-N	0	3	565.712	-0.334	40	0		KBABHN
CC(C)NC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCC(F)(F)CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976583	553971476	/nfs/dbraw/zinc/97/14/76/553971476.db2.gz	OLRYEFXZJWERLZ-WXBVCODHSA-N	0	3	587.665	-0.336	40	0		KBABHN
CC(C)NC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1Cc4ccccc4C1)C3)[C@H](O)[C@@H]2O	ZINC000097976585	553971525	/nfs/dbraw/zinc/97/15/25/553971525.db2.gz	DBDORVLEZSDPDX-FLUKGCOCSA-N	0	3	585.702	-0.747	40	0		KBABHN
CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976610	553971738	/nfs/dbraw/zinc/97/17/38/553971738.db2.gz	APOZNWRAAWMEAH-KWGQPBLMSA-N	0	3	550.697	-0.127	40	0		KBABHN
COc1ccc(C(=O)N2C[C@H]3O[C@@H](CC(=O)N[C@H]4C[C@@H](C(=O)N5CCO[C@H](C2)C5)N(C2CCCC2)C4)[C@H](O)[C@@H]3O)cc1	ZINC000097976658	553972273	/nfs/dbraw/zinc/97/22/73/553972273.db2.gz	UCOJFHKMTUMXJX-GEXLVCKNSA-N	0	3	586.686	-0.241	40	0		KBABHN
COc1ccc(C(=O)N2C[C@H]3O[C@@H](CC(=O)N[C@H]4C[C@@H](C(=O)N5CCO[C@H](C2)C5)N(C2Cc5ccccc5C2)C4)[C@H](O)[C@@H]3O)cc1	ZINC000097976661	553972243	/nfs/dbraw/zinc/97/22/43/553972243.db2.gz	BZNAGOFCZFJEDC-GHZNISPDSA-N	0	3	634.730	-0.016	40	0		KBABHN
CC(C)NC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C1CCCC1)C3)[C@H](O)[C@@H]2O	ZINC000097976692	553972544	/nfs/dbraw/zinc/97/25/44/553972544.db2.gz	HWNPMYWVMZJZMW-WXBVCODHSA-N	0	3	537.658	-0.972	40	0		KBABHN
CO[S@](=O)(=S)CCNC(=O)[C@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	ZINC000106702999	1066238657	/nfs/dbraw/zinc/23/86/57/1066238657.db2.gz	MJTZNNRYZKZYKX-OZBJSFMISA-N	0	3	509.720	-0.250	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)c3ccc(F)cc3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCOCC3)N1)[C@@H](O)[C@H]2O	ZINC000108317454	571423323	/nfs/dbraw/zinc/42/33/23/571423323.db2.gz	ONIYSHQRTZMMSO-GWJJQTSLSA-N	0	3	590.649	-0.874	40	0		KBABHN
COc1ccc(C(=O)N2C[C@H]3O[C@@H](CC(=O)N[C@H]4C[C@@H](C(=O)N5CCO[C@H](C2)C5)N(C2CCC2)C4)[C@H](O)[C@@H]3O)cc1	ZINC000108317725	571423363	/nfs/dbraw/zinc/42/33/63/571423363.db2.gz	XWXJPDKKIBVCQK-GKTPCYOCSA-N	0	3	572.659	-0.631	40	0		KBABHN
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O	ZINC000150340156	571457775	/nfs/dbraw/zinc/45/77/75/571457775.db2.gz	FDJOMAIZVIIHGU-XLJSZMODSA-N	0	3	812.011	-0.496	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)c3ccc(F)cc3)C(=O)[C@@H]3C[C@@H](CN3C3Cc4ccccc4C3)N1)[C@@H](O)[C@H]2O	ZINC000150655551	571526714	/nfs/dbraw/zinc/52/67/14/571526714.db2.gz	JBWLLKRIOCZVPY-FUUVIJHQSA-N	0	3	635.693	-0.786	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3S(=O)(=O)c3cccc(F)c3)C(=O)[C@@H]3C[C@@H](CN3C3CCC(F)(F)CC3)N1)[C@@H](O)[C@H]2O	ZINC000150655734	571526782	/nfs/dbraw/zinc/52/67/82/571526782.db2.gz	HTHDANWWOPOZEU-IGCWHWMGSA-N	0	3	673.711	-0.827	40	0		KBABHN
C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000195893857	1066211775	/nfs/dbraw/zinc/21/17/75/1066211775.db2.gz	VULJVZXXUQIUEM-OZDPOCAXSA-N	0	3	681.791	-0.700	40	0		KBABHN
C[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000217066692	571600496	/nfs/dbraw/zinc/60/04/96/571600496.db2.gz	VULJVZXXUQIUEM-IHQSEMGTSA-N	0	3	681.791	-0.700	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](CN3C3CCC3)N1)[C@@H](O)[C@H]2O	ZINC000225435074	571802263	/nfs/dbraw/zinc/80/22/63/571802263.db2.gz	IPOKRSBJSBWRRU-NMSUKYHUSA-N	0	3	577.629	-0.902	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](CN3C3CCCC3)N1)[C@@H](O)[C@H]2O	ZINC000225435150	571802448	/nfs/dbraw/zinc/80/24/48/571802448.db2.gz	VSWDETLBCRJDOF-GBBUGFHMSA-N	0	3	591.656	-0.512	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](CN3C3Cc4ccccc4C3)N1)[C@@H](O)[C@H]2O	ZINC000225435569	571802775	/nfs/dbraw/zinc/80/27/75/571802775.db2.gz	GRPIEPDTFKTOJW-VOCBSETDSA-N	0	3	639.700	-0.287	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)COc3ccccc3)C(=O)[C@@H]3C[C@@H](CN3C3CCC(F)(F)CC3)N1)[C@@H](O)[C@H]2O	ZINC000225437538	571805904	/nfs/dbraw/zinc/80/59/04/571805904.db2.gz	ZTXOLDWXQFVQRM-YJFHQLSCSA-N	0	3	649.692	-0.749	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)COc3ccccc3)C(=O)[C@@H]3C[C@@H](CN3CC3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000225437990	571806545	/nfs/dbraw/zinc/80/65/45/571806545.db2.gz	RLVTYYJKHMAFJM-DUAOJADBSA-N	0	3	627.739	-0.747	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000225439442	571809013	/nfs/dbraw/zinc/80/90/13/571809013.db2.gz	FHLOGLRGRYQUKU-NAKVCLRQSA-N	0	3	534.654	-0.763	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3CC3CCCCC3)N1)[C@@H](O)[C@H]2O	ZINC000225439504	571808983	/nfs/dbraw/zinc/80/89/83/571808983.db2.gz	DOTOETFKYKEZSK-LOIFCEGPSA-N	0	3	548.681	-0.515	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCC(F)(F)CC3)N1)[C@@H](O)[C@H]2O	ZINC000225439709	571809108	/nfs/dbraw/zinc/80/91/08/571809108.db2.gz	BLHIIHWMKMHPOQ-WXBVCODHSA-N	0	3	570.634	-0.518	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3Cc4ccccc4C3)N1)[C@@H](O)[C@H]2O	ZINC000225439830	571809570	/nfs/dbraw/zinc/80/95/70/571809570.db2.gz	UOEQCUZRFCALNG-FLUKGCOCSA-N	0	3	568.671	-0.928	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCC3)N1)[C@@H](O)[C@H]2O	ZINC000225441115	571811646	/nfs/dbraw/zinc/81/16/46/571811646.db2.gz	UKTXSSRCZKBYNM-KYUCIXHGSA-N	0	3	596.678	-0.952	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3Cc4ccccc4C3)N1)[C@@H](O)[C@H]2O	ZINC000225441604	571811972	/nfs/dbraw/zinc/81/19/72/571811972.db2.gz	PTDVCONDLGIHCG-FMGMWZGMSA-N	0	3	658.749	-0.337	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(S(=O)(=O)c3cccc(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCCC3)N1)[C@@H](O)[C@H]2O	ZINC000225443325	571814327	/nfs/dbraw/zinc/81/43/27/571814327.db2.gz	HBJOJBRSNWJBSG-SCXRDIECSA-N	0	3	610.705	-0.562	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCC3)N1)[C@@H](O)[C@H]2O	ZINC000225443935	1066232641	/nfs/dbraw/zinc/23/26/41/1066232641.db2.gz	AVYLIWGLYYPWNK-NMZGMJFTSA-N	0	3	564.630	-0.001	40	0		KBABHN
O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3C3CCOCC3)N1)[C@@H](O)[C@H]2O	ZINC000225444115	571814924	/nfs/dbraw/zinc/81/49/24/571814924.db2.gz	PWJJJPZCMYCKKK-NRTHNPGXSA-N	0	3	594.656	-0.375	40	0		KBABHN
CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N2CCO[C@H](CN(Cc4ccc(F)c(F)c4)C[C@H]4O[C@@H](CC(=O)N3)[C@H](O)[C@@H]4O)C2)CC1	ZINC000225444171	571814974	/nfs/dbraw/zinc/81/49/74/571814974.db2.gz	SFYPXUSCDNKLJE-QBCYUDNPSA-N	0	3	607.699	-0.460	40	0		KBABHN
CC(=O)N1CCC(N2C[C@@H]3C[C@H]2C(=O)N2CCO[C@H](CN(Cc4ccc(F)c(F)c4)C[C@H]4O[C@@H](CC(=O)N3)[C@H](O)[C@@H]4O)C2)CC1	ZINC000225444227	571815593	/nfs/dbraw/zinc/81/55/93/571815593.db2.gz	KLAKYPZDXNCYNN-NJYDEKLYSA-N	0	3	635.709	-0.543	40	0		KBABHN
CC1=NNC(=S)NCCCN2CCN(CC2)CCCNC(=S)NN=C(C)C=NNC(=S)NCCCN2CCN(CC2)CCCNC(=S)NN=C1	ZINC000254141597	572302144	/nfs/dbraw/zinc/30/21/44/572302144.db2.gz	CSPIUSACYPPDGM-UHFFFAOYSA-N	0	3	769.158	-0.625	40	0		KBABHN
C[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000256007716	572304987	/nfs/dbraw/zinc/30/49/87/572304987.db2.gz	VULJVZXXUQIUEM-ABDYMBPTSA-N	0	3	681.791	-0.700	40	0		KBABHN
C[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000256007717	572305032	/nfs/dbraw/zinc/30/50/32/572305032.db2.gz	VULJVZXXUQIUEM-NNVCNDCRSA-N	0	3	681.791	-0.700	40	0		KBABHN
C[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000256007718	572305039	/nfs/dbraw/zinc/30/50/39/572305039.db2.gz	VULJVZXXUQIUEM-OTPDGJPLSA-N	0	3	681.791	-0.700	40	0		KBABHN
C[C@]1(O)CC2(CCN(C(=O)CC[C@H](N)C(N)=O)CC2)OC[C@@H]1n1cc(Br)c(=O)[nH]c1=O	ZINC000257201793	572306575	/nfs/dbraw/zinc/30/65/75/572306575.db2.gz	AJBPJQJKMNLYEI-LXIYXOSZSA-N	0	3	502.366	-0.622	40	0		KBABHN
CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@H](n1cnc3c1nc(N)nc3N)[C@@](C)(O)CO2	ZINC000257250785	572311030	/nfs/dbraw/zinc/31/10/30/572311030.db2.gz	JNZPSNUQNBSIFT-WCJKSRRJSA-N	0	3	503.608	-0.302	40	0		KBABHN
CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@](C)(O)[C@@H](n1cnc3c1nc(N)nc3N)CO2	ZINC000257255751	572311556	/nfs/dbraw/zinc/31/15/56/572311556.db2.gz	KIRVXNGGYLAUOH-WCJKSRRJSA-N	0	3	503.608	-0.302	40	0		KBABHN
CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2	ZINC000585284868	1066202447	/nfs/dbraw/zinc/20/24/47/1066202447.db2.gz	IWSJJCLQYXKDFL-HOOSLVGPSA-N	0	3	533.630	-0.859	40	0		KBABHN
CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1nc(N)nc3N)CO2	ZINC000585285537	1066213097	/nfs/dbraw/zinc/21/30/97/1066213097.db2.gz	KIRVXNGGYLAUOH-WJONJSRFSA-N	0	3	503.608	-0.302	40	0		KBABHN
Cn1c2ncn([C@@H]3COC4(CCN(C(=O)[C@@H](N)Cc5ccc(O)cc5)CC4)C[C@@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585286517	1066202788	/nfs/dbraw/zinc/20/27/88/1066202788.db2.gz	TZYHLQWNHYKJGK-OSWQYVSFSA-N	0	3	526.594	-0.217	40	0		KBABHN
Cn1c2ncn([C@H]3CC4(CCN(C(=O)[C@@H](N)Cc5ccc(O)cc5)CC4)OC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585286518	1066203235	/nfs/dbraw/zinc/20/32/35/1066203235.db2.gz	UACFNESQLNOWLG-MHPIHPPYSA-N	0	3	526.594	-0.217	40	0		KBABHN
CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2	ZINC000585286808	1066210296	/nfs/dbraw/zinc/21/02/96/1066210296.db2.gz	VEVHQGALDNVOJR-XFAGBWLFSA-N	0	3	533.630	-0.859	40	0		KBABHN
CN[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](OC)[C@@H]1CCC(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000585293182	1066202866	/nfs/dbraw/zinc/20/28/66/1066202866.db2.gz	DFWVYFHFTQJVKU-HTUFRPJOSA-N	0	3	590.722	-0.338	40	0		KBABHN