smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCCC23CC[NH2+]CC3)n1	ZINC001164421801	718912026	/nfs/dbraw/zinc/91/20/26/718912026.db2.gz	UPRJGIUCOUUJOE-UHFFFAOYSA-N	2	1	421.614	4.532	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632442	719109903	/nfs/dbraw/zinc/10/99/03/719109903.db2.gz	ZKUJSUTYEQPSGV-SDHSZQHLSA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632442	719109916	/nfs/dbraw/zinc/10/99/16/719109916.db2.gz	ZKUJSUTYEQPSGV-SDHSZQHLSA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632442	719109929	/nfs/dbraw/zinc/10/99/29/719109929.db2.gz	ZKUJSUTYEQPSGV-SDHSZQHLSA-N	2	1	404.602	4.729	20	0		HJADMP
COc1ccc2c(C)cc(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)[nH+]c2c1	ZINC001164693095	719811219	/nfs/dbraw/zinc/81/12/19/719811219.db2.gz	PXXJQKYJAGBRIK-UHFFFAOYSA-N	2	1	422.598	4.952	20	0		HJADMP
COc1ccc2c(C)cc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)[nH+]c2c1	ZINC001164693095	719811221	/nfs/dbraw/zinc/81/12/21/719811221.db2.gz	PXXJQKYJAGBRIK-UHFFFAOYSA-N	2	1	422.598	4.952	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414471	718881737	/nfs/dbraw/zinc/88/17/37/718881737.db2.gz	UWZJVGORDMNHIP-MOPGFXCFSA-N	2	1	410.528	4.672	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001164776280	721329784	/nfs/dbraw/zinc/32/97/84/721329784.db2.gz	DLCOMWCDERLJIH-GSLIJJQTSA-N	2	1	420.601	4.596	20	0		HJADMP
Cc1cc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1	ZINC001164905546	721715483	/nfs/dbraw/zinc/71/54/83/721715483.db2.gz	HHPONRWLWGALLL-HSZRJFAPSA-N	2	1	408.496	4.676	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2c1	ZINC001165028150	721817319	/nfs/dbraw/zinc/81/73/19/721817319.db2.gz	WLCJGMZDANHNGC-CYSDGLOUSA-N	2	1	416.569	4.684	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2c1	ZINC001165028150	721817321	/nfs/dbraw/zinc/81/73/21/721817321.db2.gz	WLCJGMZDANHNGC-CYSDGLOUSA-N	2	1	416.569	4.684	20	0		HJADMP
Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]c(C)cc5ccccc54)CC3)C2)cc1	ZINC001164940207	721928856	/nfs/dbraw/zinc/92/88/56/721928856.db2.gz	RXOHDLBHRJCQCJ-UHFFFAOYSA-N	2	1	401.554	4.723	20	0		HJADMP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5cccc(C)c54)CC3)C2)cc1	ZINC001164939011	721932682	/nfs/dbraw/zinc/93/26/82/721932682.db2.gz	GTNMQLYASPKGMA-UHFFFAOYSA-N	2	1	401.554	4.723	20	0		HJADMP
Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5cccc(C)c54)CC3)C2)cc1	ZINC001164939011	721932685	/nfs/dbraw/zinc/93/26/85/721932685.db2.gz	GTNMQLYASPKGMA-UHFFFAOYSA-N	2	1	401.554	4.723	20	0		HJADMP
CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccccc3)c3ccccc3n2)c2c1CC[NH2+]C2	ZINC001164680584	719639324	/nfs/dbraw/zinc/63/93/24/719639324.db2.gz	WXDGLQKTMHQXMR-UHFFFAOYSA-N	2	1	411.553	4.573	20	0		HJADMP
CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccccc3)c3ccccc3n2)c2c1CC[NH2+]C2	ZINC001164680584	719639333	/nfs/dbraw/zinc/63/93/33/719639333.db2.gz	WXDGLQKTMHQXMR-UHFFFAOYSA-N	2	1	411.553	4.573	20	0		HJADMP
Cc1cc2ccccc2c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164842659	720700482	/nfs/dbraw/zinc/70/04/82/720700482.db2.gz	MIDHBGNCBLMOID-HSZRJFAPSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cc2ccccc2c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164842660	720701215	/nfs/dbraw/zinc/70/12/15/720701215.db2.gz	MIDHBGNCBLMOID-QHCPKHFHSA-N	2	1	401.554	4.803	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1	ZINC001164387812	718815813	/nfs/dbraw/zinc/81/58/13/718815813.db2.gz	ITOKSDCVSKGQCH-AZUAARDMSA-N	2	1	410.528	4.529	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1	ZINC001164627947	719048866	/nfs/dbraw/zinc/04/88/66/719048866.db2.gz	WSEANMRHTKQVIK-GSLIJJQTSA-N	2	1	404.602	4.602	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736383	720547635	/nfs/dbraw/zinc/54/76/35/720547635.db2.gz	XHZFOGILVGGHDR-FCHUYYIVSA-N	2	1	414.638	4.535	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2c1	ZINC001165028160	721817746	/nfs/dbraw/zinc/81/77/46/721817746.db2.gz	WLCJGMZDANHNGC-QXWFJRNPSA-N	2	1	416.569	4.684	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2c1	ZINC001165028160	721817747	/nfs/dbraw/zinc/81/77/47/721817747.db2.gz	WLCJGMZDANHNGC-QXWFJRNPSA-N	2	1	416.569	4.684	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632440	719110599	/nfs/dbraw/zinc/11/05/99/719110599.db2.gz	ZKUJSUTYEQPSGV-ISJGIBHGSA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632440	719110602	/nfs/dbraw/zinc/11/06/02/719110602.db2.gz	ZKUJSUTYEQPSGV-ISJGIBHGSA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632440	719110606	/nfs/dbraw/zinc/11/06/06/719110606.db2.gz	ZKUJSUTYEQPSGV-ISJGIBHGSA-N	2	1	404.602	4.729	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12	ZINC001164913509	721731711	/nfs/dbraw/zinc/73/17/11/721731711.db2.gz	WNTNCBPQALSFGM-QHCPKHFHSA-N	2	1	408.496	4.676	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12	ZINC001164913509	721731714	/nfs/dbraw/zinc/73/17/14/721731714.db2.gz	WNTNCBPQALSFGM-QHCPKHFHSA-N	2	1	408.496	4.676	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1	ZINC001164627943	719048796	/nfs/dbraw/zinc/04/87/96/719048796.db2.gz	WSEANMRHTKQVIK-DGWZTRNLSA-N	2	1	404.602	4.602	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861409	721017317	/nfs/dbraw/zinc/01/73/17/721017317.db2.gz	OKCUVLPLBMKPDI-NFBKMPQASA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861409	721017322	/nfs/dbraw/zinc/01/73/22/721017322.db2.gz	OKCUVLPLBMKPDI-NFBKMPQASA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861409	721017326	/nfs/dbraw/zinc/01/73/26/721017326.db2.gz	OKCUVLPLBMKPDI-NFBKMPQASA-N	2	1	424.637	4.637	20	0		HJADMP
COc1ccc2c(C)cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)[nH+]c2c1	ZINC001164795474	721497145	/nfs/dbraw/zinc/49/71/45/721497145.db2.gz	IKBJODJWCPSUKH-UHFFFAOYSA-N	2	1	416.569	4.828	20	0		HJADMP
COc1ccc2c(C)cc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)[nH+]c2c1	ZINC001164795474	721497150	/nfs/dbraw/zinc/49/71/50/721497150.db2.gz	IKBJODJWCPSUKH-UHFFFAOYSA-N	2	1	416.569	4.828	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958765	722023918	/nfs/dbraw/zinc/02/39/18/722023918.db2.gz	FVJRVFDOOGJBOR-XMMPIXPASA-N	2	1	419.617	4.516	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958765	722023921	/nfs/dbraw/zinc/02/39/21/722023921.db2.gz	FVJRVFDOOGJBOR-XMMPIXPASA-N	2	1	419.617	4.516	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958765	722023925	/nfs/dbraw/zinc/02/39/25/722023925.db2.gz	FVJRVFDOOGJBOR-XMMPIXPASA-N	2	1	419.617	4.516	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736386	720547349	/nfs/dbraw/zinc/54/73/49/720547349.db2.gz	XHZFOGILVGGHDR-YADHBBJMSA-N	2	1	414.638	4.535	20	0		HJADMP
COc1ccc2c[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2c1	ZINC001164839314	720702904	/nfs/dbraw/zinc/70/29/04/720702904.db2.gz	KVAVOGUZUATASJ-QHCPKHFHSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2c[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2c1	ZINC001164839314	720702913	/nfs/dbraw/zinc/70/29/13/720702913.db2.gz	KVAVOGUZUATASJ-QHCPKHFHSA-N	2	1	417.553	4.503	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001164776277	721329754	/nfs/dbraw/zinc/32/97/54/721329754.db2.gz	DLCOMWCDERLJIH-DGWZTRNLSA-N	2	1	420.601	4.596	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2c1	ZINC001165028157	721817406	/nfs/dbraw/zinc/81/74/06/721817406.db2.gz	WLCJGMZDANHNGC-DNVKUUNQSA-N	2	1	416.569	4.684	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c2c1	ZINC001165028157	721817409	/nfs/dbraw/zinc/81/74/09/721817409.db2.gz	WLCJGMZDANHNGC-DNVKUUNQSA-N	2	1	416.569	4.684	20	0		HJADMP
COc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc21	ZINC001164837052	720703897	/nfs/dbraw/zinc/70/38/97/720703897.db2.gz	DBZYVBMTELFZNK-NRFANRHFSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc21	ZINC001164837052	720703905	/nfs/dbraw/zinc/70/39/05/720703905.db2.gz	DBZYVBMTELFZNK-NRFANRHFSA-N	2	1	417.553	4.503	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861412	721017184	/nfs/dbraw/zinc/01/71/84/721017184.db2.gz	OKCUVLPLBMKPDI-NZQKXSOJSA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861412	721017188	/nfs/dbraw/zinc/01/71/88/721017188.db2.gz	OKCUVLPLBMKPDI-NZQKXSOJSA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861412	721017192	/nfs/dbraw/zinc/01/71/92/721017192.db2.gz	OKCUVLPLBMKPDI-NZQKXSOJSA-N	2	1	424.637	4.637	20	0		HJADMP
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2	ZINC001164838043	720728985	/nfs/dbraw/zinc/72/89/85/720728985.db2.gz	QHNOLCMPKMBUAJ-NRFANRHFSA-N	2	1	413.993	4.726	20	0		HJADMP
COc1ccc2c(cc[nH+]c2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1	ZINC001164842689	720673930	/nfs/dbraw/zinc/67/39/30/720673930.db2.gz	TWDDSONQWPTOGW-QFIPXVFZSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2c(cc[nH+]c2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1	ZINC001164842685	720674902	/nfs/dbraw/zinc/67/49/02/720674902.db2.gz	TWDDSONQWPTOGW-JOCHJYFZSA-N	2	1	417.553	4.503	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861417	721017543	/nfs/dbraw/zinc/01/75/43/721017543.db2.gz	OKCUVLPLBMKPDI-REWPJTCUSA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@H]1c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861417	721017549	/nfs/dbraw/zinc/01/75/49/721017549.db2.gz	OKCUVLPLBMKPDI-REWPJTCUSA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@H]1c1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861417	721017553	/nfs/dbraw/zinc/01/75/53/721017553.db2.gz	OKCUVLPLBMKPDI-REWPJTCUSA-N	2	1	424.637	4.637	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2c1	ZINC001165028146	721817688	/nfs/dbraw/zinc/81/76/88/721817688.db2.gz	WLCJGMZDANHNGC-BFMBIBTESA-N	2	1	416.569	4.684	20	0		HJADMP
COc1ccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c2c1	ZINC001165028146	721817689	/nfs/dbraw/zinc/81/76/89/721817689.db2.gz	WLCJGMZDANHNGC-BFMBIBTESA-N	2	1	416.569	4.684	20	0		HJADMP
COc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc21	ZINC001164837055	720703854	/nfs/dbraw/zinc/70/38/54/720703854.db2.gz	DBZYVBMTELFZNK-OAQYLSRUSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc21	ZINC001164837055	720703860	/nfs/dbraw/zinc/70/38/60/720703860.db2.gz	DBZYVBMTELFZNK-OAQYLSRUSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2cc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1	ZINC001164795930	721498637	/nfs/dbraw/zinc/49/86/37/721498637.db2.gz	NGZNOJJXRVVNIA-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
COc1ccc2cc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2c1	ZINC001164795930	721498639	/nfs/dbraw/zinc/49/86/39/721498639.db2.gz	NGZNOJJXRVVNIA-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958754	722024042	/nfs/dbraw/zinc/02/40/42/722024042.db2.gz	FVJRVFDOOGJBOR-DEOSSOPVSA-N	2	1	419.617	4.516	20	0		HJADMP
CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958754	722024044	/nfs/dbraw/zinc/02/40/44/722024044.db2.gz	FVJRVFDOOGJBOR-DEOSSOPVSA-N	2	1	419.617	4.516	20	0		HJADMP
CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958754	722024048	/nfs/dbraw/zinc/02/40/48/722024048.db2.gz	FVJRVFDOOGJBOR-DEOSSOPVSA-N	2	1	419.617	4.516	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414474	718881777	/nfs/dbraw/zinc/88/17/77/718881777.db2.gz	UWZJVGORDMNHIP-RTBURBONSA-N	2	1	410.528	4.672	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632438	719109523	/nfs/dbraw/zinc/10/95/23/719109523.db2.gz	ZKUJSUTYEQPSGV-GVAUOCQISA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632438	719109526	/nfs/dbraw/zinc/10/95/26/719109526.db2.gz	ZKUJSUTYEQPSGV-GVAUOCQISA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632438	719109528	/nfs/dbraw/zinc/10/95/28/719109528.db2.gz	ZKUJSUTYEQPSGV-GVAUOCQISA-N	2	1	404.602	4.729	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12	ZINC001164839815	720720035	/nfs/dbraw/zinc/72/00/35/720720035.db2.gz	NHBONLZRHZIYNW-QHCPKHFHSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12	ZINC001164839815	720720045	/nfs/dbraw/zinc/72/00/45/720720045.db2.gz	NHBONLZRHZIYNW-QHCPKHFHSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]1	ZINC001164905549	721716095	/nfs/dbraw/zinc/71/60/95/721716095.db2.gz	HHPONRWLWGALLL-QHCPKHFHSA-N	2	1	408.496	4.676	20	0		HJADMP
CC[NH+](CC)C1CCN(c2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)CC1	ZINC001165054001	722005774	/nfs/dbraw/zinc/00/57/74/722005774.db2.gz	WQMDDJJKOOBGRV-UHFFFAOYSA-N	2	1	415.651	4.605	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1	ZINC001164627951	719048993	/nfs/dbraw/zinc/04/89/93/719048993.db2.gz	WSEANMRHTKQVIK-MZKUHISZSA-N	2	1	404.602	4.602	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736384	720547731	/nfs/dbraw/zinc/54/77/31/720547731.db2.gz	XHZFOGILVGGHDR-FGZHOGPDSA-N	2	1	414.638	4.535	20	0		HJADMP
COc1ccc2c[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)cc2c1	ZINC001164839313	720703160	/nfs/dbraw/zinc/70/31/60/720703160.db2.gz	KVAVOGUZUATASJ-HSZRJFAPSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2c[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)cc2c1	ZINC001164839313	720703170	/nfs/dbraw/zinc/70/31/70/720703170.db2.gz	KVAVOGUZUATASJ-HSZRJFAPSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2c(cc[nH+]c2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1	ZINC001164793204	721492644	/nfs/dbraw/zinc/49/26/44/721492644.db2.gz	PFQKTISNHUSSKC-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C(C)(C)c4ccnc(Cl)c4)CC3)C2)cc1	ZINC001164941811	721933779	/nfs/dbraw/zinc/93/37/79/721933779.db2.gz	JOMDOJLKUJXRNS-UHFFFAOYSA-N	2	1	413.993	4.646	20	0		HJADMP
CC[NH+](CC)C1CCN(c2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1	ZINC001165054560	722006831	/nfs/dbraw/zinc/00/68/31/722006831.db2.gz	QVRWBWQVPUXSKN-UHFFFAOYSA-N	2	1	423.630	4.731	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12	ZINC001164913507	721732470	/nfs/dbraw/zinc/73/24/70/721732470.db2.gz	WNTNCBPQALSFGM-HSZRJFAPSA-N	2	1	408.496	4.676	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12	ZINC001164913507	721732471	/nfs/dbraw/zinc/73/24/71/721732471.db2.gz	WNTNCBPQALSFGM-HSZRJFAPSA-N	2	1	408.496	4.676	20	0		HJADMP
COc1ccc2cc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164841601	720705681	/nfs/dbraw/zinc/70/56/81/720705681.db2.gz	UYCJSTOSAKOVSR-JOCHJYFZSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2cc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164841601	720705688	/nfs/dbraw/zinc/70/56/88/720705688.db2.gz	UYCJSTOSAKOVSR-JOCHJYFZSA-N	2	1	417.553	4.503	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414472	718881696	/nfs/dbraw/zinc/88/16/96/718881696.db2.gz	UWZJVGORDMNHIP-OALUTQOASA-N	2	1	410.528	4.672	20	0		HJADMP
Cc1ccc2cc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164845250	720689356	/nfs/dbraw/zinc/68/93/56/720689356.db2.gz	XLFAHHLGULVYJZ-HSZRJFAPSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1ccc2cc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164845250	720689368	/nfs/dbraw/zinc/68/93/68/720689368.db2.gz	XLFAHHLGULVYJZ-HSZRJFAPSA-N	2	1	401.554	4.803	20	0		HJADMP
COc1ccc2c[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc2c1	ZINC001164796935	721497871	/nfs/dbraw/zinc/49/78/71/721497871.db2.gz	ZNFSOXMSDZSPMI-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
COc1ccc2c[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc2c1	ZINC001164796935	721497873	/nfs/dbraw/zinc/49/78/73/721497873.db2.gz	ZNFSOXMSDZSPMI-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001164776285	721329325	/nfs/dbraw/zinc/32/93/25/721329325.db2.gz	DLCOMWCDERLJIH-MZKUHISZSA-N	2	1	420.601	4.596	20	0		HJADMP
Cc1cccc2c1cc[nH+]c2N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1	ZINC001164840555	720691977	/nfs/dbraw/zinc/69/19/77/720691977.db2.gz	GNLWPEYGDYATAN-JOCHJYFZSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cccc2c1cc[nH+]c2N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1	ZINC001164840555	720691985	/nfs/dbraw/zinc/69/19/85/720691985.db2.gz	GNLWPEYGDYATAN-JOCHJYFZSA-N	2	1	401.554	4.803	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861414	721017866	/nfs/dbraw/zinc/01/78/66/721017866.db2.gz	OKCUVLPLBMKPDI-OFNKIYASSA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@H]1c1ccc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861414	721017872	/nfs/dbraw/zinc/01/78/72/721017872.db2.gz	OKCUVLPLBMKPDI-OFNKIYASSA-N	2	1	424.637	4.637	20	0		HJADMP
CCC[NH+]1CCCC[C@H]1c1ccc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861414	721017881	/nfs/dbraw/zinc/01/78/81/721017881.db2.gz	OKCUVLPLBMKPDI-OFNKIYASSA-N	2	1	424.637	4.637	20	0		HJADMP
COc1ccc2cc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164841604	720704532	/nfs/dbraw/zinc/70/45/32/720704532.db2.gz	UYCJSTOSAKOVSR-QFIPXVFZSA-N	2	1	417.553	4.503	20	0		HJADMP
COc1ccc2cc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164841604	720704542	/nfs/dbraw/zinc/70/45/42/720704542.db2.gz	UYCJSTOSAKOVSR-QFIPXVFZSA-N	2	1	417.553	4.503	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1	ZINC001164387815	718815779	/nfs/dbraw/zinc/81/57/79/718815779.db2.gz	ITOKSDCVSKGQCH-UYAOXDASSA-N	2	1	410.528	4.529	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1	ZINC001164387814	718815971	/nfs/dbraw/zinc/81/59/71/718815971.db2.gz	ITOKSDCVSKGQCH-QUCCMNQESA-N	2	1	410.528	4.529	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414473	718881824	/nfs/dbraw/zinc/88/18/24/718881824.db2.gz	UWZJVGORDMNHIP-RBUKOAKNSA-N	2	1	410.528	4.672	20	0		HJADMP
CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1	ZINC001164421301	718893039	/nfs/dbraw/zinc/89/30/39/718893039.db2.gz	WXGKWDVQCZFSGF-LJQANCHMSA-N	2	1	415.651	4.508	20	0		HJADMP
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2	ZINC001164838044	720728905	/nfs/dbraw/zinc/72/89/05/720728905.db2.gz	QHNOLCMPKMBUAJ-OAQYLSRUSA-N	2	1	413.993	4.726	20	0		HJADMP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1	ZINC001164627938	719049100	/nfs/dbraw/zinc/04/91/00/719049100.db2.gz	WSEANMRHTKQVIK-BFLUCZKCSA-N	2	1	404.602	4.602	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1	ZINC001164387813	718815952	/nfs/dbraw/zinc/81/59/52/718815952.db2.gz	ITOKSDCVSKGQCH-ICSRJNTNSA-N	2	1	410.528	4.529	20	0		HJADMP
COc1ccc2c(cc[nH+]c2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1	ZINC001164691502	719806063	/nfs/dbraw/zinc/80/60/63/719806063.db2.gz	IKWDHFDHBWHXCS-UHFFFAOYSA-N	2	1	408.571	4.643	20	0		HJADMP
Cc1ccc2cc[nH+]c(N3CCC4(C[C@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164845252	720689172	/nfs/dbraw/zinc/68/91/72/720689172.db2.gz	XLFAHHLGULVYJZ-QHCPKHFHSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1ccc2cc[nH+]c(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1	ZINC001164845252	720689181	/nfs/dbraw/zinc/68/91/81/720689181.db2.gz	XLFAHHLGULVYJZ-QHCPKHFHSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cccc2c1cc[nH+]c2N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1	ZINC001164840556	720692402	/nfs/dbraw/zinc/69/24/02/720692402.db2.gz	GNLWPEYGDYATAN-QFIPXVFZSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cccc2c1cc[nH+]c2N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1	ZINC001164840556	720692407	/nfs/dbraw/zinc/69/24/07/720692407.db2.gz	GNLWPEYGDYATAN-QFIPXVFZSA-N	2	1	401.554	4.803	20	0		HJADMP
CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1	ZINC001164421300	718892916	/nfs/dbraw/zinc/89/29/16/718892916.db2.gz	WXGKWDVQCZFSGF-IBGZPJMESA-N	2	1	415.651	4.508	20	0		HJADMP
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C[N@H+](C)C5CC5)cn4)CC3)CC2)cc1	ZINC001164758795	721046975	/nfs/dbraw/zinc/04/69/75/721046975.db2.gz	BOELMVAKQVPVGK-UHFFFAOYSA-N	2	1	418.629	4.867	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001164776274	721329638	/nfs/dbraw/zinc/32/96/38/721329638.db2.gz	DLCOMWCDERLJIH-BFLUCZKCSA-N	2	1	420.601	4.596	20	0		HJADMP
COc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]c2ccccc21	ZINC001164795713	721498071	/nfs/dbraw/zinc/49/80/71/721498071.db2.gz	KELORQOCDWRNDF-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
COc1cc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]c2ccccc21	ZINC001164795713	721498074	/nfs/dbraw/zinc/49/80/74/721498074.db2.gz	KELORQOCDWRNDF-UHFFFAOYSA-N	2	1	402.542	4.519	20	0		HJADMP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632445	719109479	/nfs/dbraw/zinc/10/94/79/719109479.db2.gz	ZKUJSUTYEQPSGV-UBFVSLLYSA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632445	719109490	/nfs/dbraw/zinc/10/94/90/719109490.db2.gz	ZKUJSUTYEQPSGV-UBFVSLLYSA-N	2	1	404.602	4.729	20	0		HJADMP
CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632445	719109502	/nfs/dbraw/zinc/10/95/02/719109502.db2.gz	ZKUJSUTYEQPSGV-UBFVSLLYSA-N	2	1	404.602	4.729	20	0		HJADMP
CCC[N@H+]1CCCC[C@H]1c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736385	720547127	/nfs/dbraw/zinc/54/71/27/720547127.db2.gz	XHZFOGILVGGHDR-VXKWHMMOSA-N	2	1	414.638	4.535	20	0		HJADMP
C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC3(CCCC[NH2+]3)CC2)n1	ZINC001164388679	718803683	/nfs/dbraw/zinc/80/36/83/718803683.db2.gz	ZPSGRSAOGNSDMS-UHFFFAOYSA-N	2	1	421.614	4.532	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC4(C[C@@H]([N@H+](C)Cc5ccccc5)CO4)CC3)c12	ZINC001164839813	720721173	/nfs/dbraw/zinc/72/11/73/720721173.db2.gz	NHBONLZRHZIYNW-HSZRJFAPSA-N	2	1	401.554	4.803	20	0		HJADMP
Cc1cccc2cc[nH+]c(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c12	ZINC001164839813	720721187	/nfs/dbraw/zinc/72/11/87/720721187.db2.gz	NHBONLZRHZIYNW-HSZRJFAPSA-N	2	1	401.554	4.803	20	0		HJADMP