smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632442	719109880	/nfs/dbraw/zinc/10/98/80/719109880.db2.gz	ZKUJSUTYEQPSGV-SDHSZQHLSA-N	2	0	404.602	4.729	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414471	718881736	/nfs/dbraw/zinc/88/17/36/718881736.db2.gz	UWZJVGORDMNHIP-MOPGFXCFSA-N	2	0	410.528	4.672	20	0		HJADRP
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C[NH+]5CCCC5)cn4)CC3)CC2)cc1	ZINC001164760462	721045822	/nfs/dbraw/zinc/04/58/22/721045822.db2.gz	VCZWHMHXZKIQDJ-UHFFFAOYSA-N	2	0	418.629	4.868	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001164776280	721329779	/nfs/dbraw/zinc/32/97/79/721329779.db2.gz	DLCOMWCDERLJIH-GSLIJJQTSA-N	2	0	420.601	4.596	20	0		HJADRP
Cc1cc2ccccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1	ZINC001164905546	721715479	/nfs/dbraw/zinc/71/54/79/721715479.db2.gz	HHPONRWLWGALLL-HSZRJFAPSA-N	2	0	408.496	4.676	20	0		HJADRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]c(C)cc5ccccc54)CC3)C2)cc1	ZINC001164940207	721928851	/nfs/dbraw/zinc/92/88/51/721928851.db2.gz	RXOHDLBHRJCQCJ-UHFFFAOYSA-N	2	0	401.554	4.723	20	0		HJADRP
FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1	ZINC001165049238	721979416	/nfs/dbraw/zinc/97/94/16/721979416.db2.gz	JLODRKQXFIUBHM-LJQANCHMSA-N	2	0	424.967	4.501	20	0		HJADRP
Cc1cc2ccccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164842659	720700473	/nfs/dbraw/zinc/70/04/73/720700473.db2.gz	MIDHBGNCBLMOID-HSZRJFAPSA-N	2	0	401.554	4.803	20	0		HJADRP
Cc1cc2ccccc2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1	ZINC001164842660	720701209	/nfs/dbraw/zinc/70/12/09/720701209.db2.gz	MIDHBGNCBLMOID-QHCPKHFHSA-N	2	0	401.554	4.803	20	0		HJADRP
Cc1ccc(Cl)c(O[C@@H]2CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)c1	ZINC001165049232	721979870	/nfs/dbraw/zinc/97/98/70/721979870.db2.gz	JJTNPYLQSGWPFK-HXUWFJFHSA-N	2	0	415.965	4.564	20	0		HJADRP
Cc1ccc(Cl)c(O[C@H]2CCCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C2)c1	ZINC001165049231	721979896	/nfs/dbraw/zinc/97/98/96/721979896.db2.gz	JJTNPYLQSGWPFK-FQEVSTJZSA-N	2	0	415.965	4.564	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1	ZINC001164387812	718815811	/nfs/dbraw/zinc/81/58/11/718815811.db2.gz	ITOKSDCVSKGQCH-AZUAARDMSA-N	2	0	410.528	4.529	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1	ZINC001164627947	719048863	/nfs/dbraw/zinc/04/88/63/719048863.db2.gz	WSEANMRHTKQVIK-GSLIJJQTSA-N	2	0	404.602	4.602	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736383	720547629	/nfs/dbraw/zinc/54/76/29/720547629.db2.gz	XHZFOGILVGGHDR-FCHUYYIVSA-N	2	0	414.638	4.535	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632440	719110597	/nfs/dbraw/zinc/11/05/97/719110597.db2.gz	ZKUJSUTYEQPSGV-ISJGIBHGSA-N	2	0	404.602	4.729	20	0		HJADRP
Cc1ccc(C[NH+]2CCC3(CCN(c4ncccc4C[NH+]4CCCC4)CC3)CC2)cc1	ZINC001164759981	721046542	/nfs/dbraw/zinc/04/65/42/721046542.db2.gz	SJCMPNJBNDTIIT-UHFFFAOYSA-N	2	0	418.629	4.868	20	0		HJADRP
FC(F)(c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)N1CCCC[C@H]1CC[NH+]1CCCC1	ZINC001165049237	721979349	/nfs/dbraw/zinc/97/93/49/721979349.db2.gz	JLODRKQXFIUBHM-IBGZPJMESA-N	2	0	424.967	4.501	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1	ZINC001164627943	719048789	/nfs/dbraw/zinc/04/87/89/719048789.db2.gz	WSEANMRHTKQVIK-DGWZTRNLSA-N	2	0	404.602	4.602	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861409	721017313	/nfs/dbraw/zinc/01/73/13/721017313.db2.gz	OKCUVLPLBMKPDI-NFBKMPQASA-N	2	0	424.637	4.637	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958765	722023915	/nfs/dbraw/zinc/02/39/15/722023915.db2.gz	FVJRVFDOOGJBOR-XMMPIXPASA-N	2	0	419.617	4.516	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736386	720547340	/nfs/dbraw/zinc/54/73/40/720547340.db2.gz	XHZFOGILVGGHDR-YADHBBJMSA-N	2	0	414.638	4.535	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001164776277	721329749	/nfs/dbraw/zinc/32/97/49/721329749.db2.gz	DLCOMWCDERLJIH-DGWZTRNLSA-N	2	0	420.601	4.596	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861412	721017182	/nfs/dbraw/zinc/01/71/82/721017182.db2.gz	OKCUVLPLBMKPDI-NZQKXSOJSA-N	2	0	424.637	4.637	20	0		HJADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2	ZINC001164838043	720728980	/nfs/dbraw/zinc/72/89/80/720728980.db2.gz	QHNOLCMPKMBUAJ-NRFANRHFSA-N	2	0	413.993	4.726	20	0		HJADRP
COc1ccc2c(cc[nH+]c2N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1	ZINC001164842689	720673920	/nfs/dbraw/zinc/67/39/20/720673920.db2.gz	TWDDSONQWPTOGW-QFIPXVFZSA-N	2	0	417.553	4.503	20	0		HJADRP
COc1ccc2c(cc[nH+]c2N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1	ZINC001164842685	720674898	/nfs/dbraw/zinc/67/48/98/720674898.db2.gz	TWDDSONQWPTOGW-JOCHJYFZSA-N	2	0	417.553	4.503	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@@H]2C)nc1	ZINC001164861417	721017537	/nfs/dbraw/zinc/01/75/37/721017537.db2.gz	OKCUVLPLBMKPDI-REWPJTCUSA-N	2	0	424.637	4.637	20	0		HJADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH+](Cc4cccnc4)C3)CC2)nc1	ZINC001164958754	722024039	/nfs/dbraw/zinc/02/40/39/722024039.db2.gz	FVJRVFDOOGJBOR-DEOSSOPVSA-N	2	0	419.617	4.516	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414474	718881776	/nfs/dbraw/zinc/88/17/76/718881776.db2.gz	UWZJVGORDMNHIP-RTBURBONSA-N	2	0	410.528	4.672	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)nc1	ZINC001164632438	719109514	/nfs/dbraw/zinc/10/95/14/719109514.db2.gz	ZKUJSUTYEQPSGV-GVAUOCQISA-N	2	0	404.602	4.729	20	0		HJADRP
Cc1cc2ccccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1	ZINC001164905549	721716088	/nfs/dbraw/zinc/71/60/88/721716088.db2.gz	HHPONRWLWGALLL-QHCPKHFHSA-N	2	0	408.496	4.676	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1	ZINC001164627951	719048987	/nfs/dbraw/zinc/04/89/87/719048987.db2.gz	WSEANMRHTKQVIK-MZKUHISZSA-N	2	0	404.602	4.602	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736384	720547728	/nfs/dbraw/zinc/54/77/28/720547728.db2.gz	XHZFOGILVGGHDR-FGZHOGPDSA-N	2	0	414.638	4.535	20	0		HJADRP
COc1ccc2c(cc[nH+]c2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1	ZINC001164793204	721492641	/nfs/dbraw/zinc/49/26/41/721492641.db2.gz	PFQKTISNHUSSKC-UHFFFAOYSA-N	2	0	402.542	4.519	20	0		HJADRP
Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C(C)(C)c4ccnc(Cl)c4)CC3)C2)cc1	ZINC001164941811	721933776	/nfs/dbraw/zinc/93/37/76/721933776.db2.gz	JOMDOJLKUJXRNS-UHFFFAOYSA-N	2	0	413.993	4.646	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414472	718881694	/nfs/dbraw/zinc/88/16/94/718881694.db2.gz	UWZJVGORDMNHIP-OALUTQOASA-N	2	0	410.528	4.672	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1	ZINC001164776285	721329321	/nfs/dbraw/zinc/32/93/21/721329321.db2.gz	DLCOMWCDERLJIH-MZKUHISZSA-N	2	0	420.601	4.596	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3c(C[NH+](C)C(C)C)cnc3[C@H]2C)nc1	ZINC001164861414	721017858	/nfs/dbraw/zinc/01/78/58/721017858.db2.gz	OKCUVLPLBMKPDI-OFNKIYASSA-N	2	0	424.637	4.637	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1	ZINC001164387815	718815778	/nfs/dbraw/zinc/81/57/78/718815778.db2.gz	ITOKSDCVSKGQCH-UYAOXDASSA-N	2	0	410.528	4.529	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1	ZINC001164387814	718815966	/nfs/dbraw/zinc/81/59/66/718815966.db2.gz	ITOKSDCVSKGQCH-QUCCMNQESA-N	2	0	410.528	4.529	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1	ZINC001164414473	718881821	/nfs/dbraw/zinc/88/18/21/718881821.db2.gz	UWZJVGORDMNHIP-RBUKOAKNSA-N	2	0	410.528	4.672	20	0		HJADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C(C)(C)c1ccnc(Cl)c1)CC2	ZINC001164838044	720728897	/nfs/dbraw/zinc/72/88/97/720728897.db2.gz	QHNOLCMPKMBUAJ-OAQYLSRUSA-N	2	0	413.993	4.726	20	0		HJADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1	ZINC001164627938	719049096	/nfs/dbraw/zinc/04/90/96/719049096.db2.gz	WSEANMRHTKQVIK-BFLUCZKCSA-N	2	0	404.602	4.602	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1	ZINC001164387813	718815950	/nfs/dbraw/zinc/81/59/50/718815950.db2.gz	ITOKSDCVSKGQCH-ICSRJNTNSA-N	2	0	410.528	4.529	20	0		HJADRP
COc1ccc2c(cc[nH+]c2N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)c1	ZINC001164691502	719806060	/nfs/dbraw/zinc/80/60/60/719806060.db2.gz	IKWDHFDHBWHXCS-UHFFFAOYSA-N	2	0	408.571	4.643	20	0		HJADRP
Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(C[N@@H+](C)C5CC5)cn4)CC3)CC2)cc1	ZINC001164758795	721046970	/nfs/dbraw/zinc/04/69/70/721046970.db2.gz	BOELMVAKQVPVGK-UHFFFAOYSA-N	2	0	418.629	4.867	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(c2cccc(C)c2)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1	ZINC001164776274	721329634	/nfs/dbraw/zinc/32/96/34/721329634.db2.gz	DLCOMWCDERLJIH-BFLUCZKCSA-N	2	0	420.601	4.596	20	0		HJADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(c4nc5ccccc5s4)CC3)c2)CC1	ZINC001165051691	721989486	/nfs/dbraw/zinc/98/94/86/721989486.db2.gz	VCJMIQLQAVBBBJ-UHFFFAOYSA-N	2	0	408.571	4.548	20	0		HJADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)nc1	ZINC001164632445	719109472	/nfs/dbraw/zinc/10/94/72/719109472.db2.gz	ZKUJSUTYEQPSGV-UBFVSLLYSA-N	2	0	404.602	4.729	20	0		HJADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1	ZINC001164736385	720547118	/nfs/dbraw/zinc/54/71/18/720547118.db2.gz	XHZFOGILVGGHDR-VXKWHMMOSA-N	2	0	414.638	4.535	20	0		HJADRP