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)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1	ZINC000004237325	291381766	/nfs/dbraw/zinc/38/17/66/291381766.db2.gz	VKCPPUWDFOWZSZ-RBBKRZOGSA-N	1	3	431.555	4.335	40	0	biogenic,in-vitro	IIABHO
Cc1cc(N)c2cc(NC(=O)CCCC(=O)Nc3ccc4[nH+]c(C)cc(N)c4c3)ccc2n1	ZINC000001848326	555720559	/nfs/dbraw/zinc/72/05/59/555720559.db2.gz	IBSAUIGRKKFAJV-UHFFFAOYSA-N	1	3	442.523	4.312	40	0		IIABHO
Cc1cc(N)c2cc(NC(=O)C(C)(C)C(=O)Nc3ccc4[nH+]c(C)cc(N)c4c3)ccc2n1	ZINC000001871251	555721824	/nfs/dbraw/zinc/72/18/24/555721824.db2.gz	DCKUSUMEBGLKIX-UHFFFAOYSA-N	1	3	442.523	4.168	40	0		IIABHO
O[C@@]1(COc2ccccc2F)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000585272986	557215508	/nfs/dbraw/zinc/21/55/08/557215508.db2.gz	PWXLUWUAQQTMSX-SANMLTNESA-N	1	3	442.575	4.096	40	0		IIABHO
C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1	ZINC000222602453	557359837	/nfs/dbraw/zinc/35/98/37/557359837.db2.gz	ISGJIMKRNIMIJY-HXUWFJFHSA-N	1	3	425.548	4.149	40	0		IIABHO
C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)cc2)CC1	ZINC000222602518	557360205	/nfs/dbraw/zinc/36/02/05/557360205.db2.gz	ISGJIMKRNIMIJY-FQEVSTJZSA-N	1	3	425.548	4.149	40	0		IIABHO
COc1cccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)c1	ZINC000019587692	556823892	/nfs/dbraw/zinc/82/38/92/556823892.db2.gz	RMINRNAZUULCEG-HYBUGGRVSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1cccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1	ZINC000019587692	556823897	/nfs/dbraw/zinc/82/38/97/556823897.db2.gz	RMINRNAZUULCEG-HYBUGGRVSA-N	1	3	425.548	4.005	40	0		IIABHO
OC1(COc2cccc(Cl)c2)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000585272450	557217193	/nfs/dbraw/zinc/21/71/93/557217193.db2.gz	NGFKYKSYTHEDPC-UHFFFAOYSA-N	1	3	445.003	4.221	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@H+](Cc3sccc3C)C2)N(C)C1	ZINC000248141247	569207364	/nfs/dbraw/zinc/20/73/64/569207364.db2.gz	QFKOPQAROXMRJR-ZVDOUQERSA-N	1	3	427.614	4.236	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](Cc3sccc3C)C2)N(C)C1	ZINC000248141247	569207366	/nfs/dbraw/zinc/20/73/66/569207366.db2.gz	QFKOPQAROXMRJR-ZVDOUQERSA-N	1	3	427.614	4.236	40	0		IIABHO
O=C(c1ccc(OCCN2CCCC2)cc1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21	ZINC000257335838	568726924	/nfs/dbraw/zinc/72/69/24/568726924.db2.gz	YMBUFPCCXDEPHH-QKDODKLFSA-N	1	3	447.623	4.302	40	0		IIABHO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830719	556621213	/nfs/dbraw/zinc/62/12/13/556621213.db2.gz	HWAJGWMEYOWUCO-HSZRJFAPSA-N	1	3	426.004	4.464	40	0		IIABHO
OC1(COc2cccc(Cl)c2)CCN(Cc2cccc(OCC[NH+]3CCCC3)c2)CC1	ZINC000585280244	557219618	/nfs/dbraw/zinc/21/96/18/557219618.db2.gz	KPXRVDAOJYDIJX-UHFFFAOYSA-N	1	3	445.003	4.221	40	0		IIABHO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000224799392	557652401	/nfs/dbraw/zinc/65/24/01/557652401.db2.gz	AYKGJQDMYCLTLO-HSZRJFAPSA-N	1	3	426.004	4.464	40	0		IIABHO
CN1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)C[C@@H](Cc2ccc3ncccc3c2)C1	ZINC000257277585	568700944	/nfs/dbraw/zinc/70/09/44/568700944.db2.gz	NYOCRGHEZVABGV-QHCPKHFHSA-N	1	3	442.607	4.077	40	0		IIABHO
COc1cccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)c1	ZINC000019587694	569227265	/nfs/dbraw/zinc/22/72/65/569227265.db2.gz	RMINRNAZUULCEG-RDPSFJRHSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1cccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1	ZINC000019587694	569227266	/nfs/dbraw/zinc/22/72/66/569227266.db2.gz	RMINRNAZUULCEG-RDPSFJRHSA-N	1	3	425.548	4.005	40	0		IIABHO
O=C(c1ccc(OCCN2CCCC2)cc1)N1CCCC[C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]21	ZINC000585261644	557195056	/nfs/dbraw/zinc/19/50/56/557195056.db2.gz	CBOKMZPQBUWVRE-KKUQBAQOSA-N	1	3	433.596	4.259	40	0		IIABHO
CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1	ZINC000585271059	568617813	/nfs/dbraw/zinc/61/78/13/568617813.db2.gz	GHCOEGRAUNLNIJ-VWLOTQADSA-N	1	3	430.564	4.216	40	0		IIABHO
CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1	ZINC000585271059	568617814	/nfs/dbraw/zinc/61/78/14/568617814.db2.gz	GHCOEGRAUNLNIJ-VWLOTQADSA-N	1	3	430.564	4.216	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@H+](Cc3sccc3C)C2)N(C)C1	ZINC000019238626	569226478	/nfs/dbraw/zinc/22/64/78/569226478.db2.gz	QFKOPQAROXMRJR-SFHLNBCPSA-N	1	3	427.614	4.236	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](Cc3sccc3C)C2)N(C)C1	ZINC000019238626	569226479	/nfs/dbraw/zinc/22/64/79/569226479.db2.gz	QFKOPQAROXMRJR-SFHLNBCPSA-N	1	3	427.614	4.236	40	0		IIABHO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830755	556621665	/nfs/dbraw/zinc/62/16/65/556621665.db2.gz	UDWZOPIFAYBTEN-QHCPKHFHSA-N	1	3	426.004	4.464	40	0		IIABHO
Cc1ccc(OC[C@@]2(O)CCCN(Cc3cccc(OCC[NH+]4CCCC4)c3)CC2)cc1	ZINC000585281030	557220801	/nfs/dbraw/zinc/22/08/01/557220801.db2.gz	VLMPYMIRHCDPKL-HHHXNRCGSA-N	1	3	438.612	4.266	40	0		IIABHO
Cc1ccc(OC[C@H](O)CN(C)Cc2cccc(OCC[NH+]3CCCCC3)c2)c(C)c1	ZINC000585270969	568617566	/nfs/dbraw/zinc/61/75/66/568617566.db2.gz	CRQKRBCQNVRMSA-XMMPIXPASA-N	1	3	426.601	4.040	40	0		IIABHO
Cc1ccc(OC[C@@H](O)CN(C)Cc2cccc(OCC[NH+]3CCCCC3)c2)c(C)c1	ZINC000585270966	568617838	/nfs/dbraw/zinc/61/78/38/568617838.db2.gz	CRQKRBCQNVRMSA-DEOSSOPVSA-N	1	3	426.601	4.040	40	0		IIABHO
OC1(COc2ccccc2F)CCN(Cc2ccc(OCC[NH+]3CCCCC3)cc2)CC1	ZINC000585274137	557218453	/nfs/dbraw/zinc/21/84/53/557218453.db2.gz	WNKICPGVNHXGRK-UHFFFAOYSA-N	1	3	442.575	4.096	40	0		IIABHO
COC1(COc2cccc(Cl)c2)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1	ZINC000585270457	557214328	/nfs/dbraw/zinc/21/43/28/557214328.db2.gz	CYYYKFREIDMAIO-UHFFFAOYSA-N	1	3	432.992	4.340	40	0		IIABHO
Cc1ccc(OCC2(O)CCN(Cc3cccc(OCC[NH+]4CCCCC4)c3)CC2)cc1	ZINC000585280572	557220492	/nfs/dbraw/zinc/22/04/92/557220492.db2.gz	PQSTVQAIYIXLJO-UHFFFAOYSA-N	1	3	438.612	4.266	40	0		IIABHO
Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCCN(C)C)cc3)CC2)c(C)c1	ZINC000585271046	568617523	/nfs/dbraw/zinc/61/75/23/568617523.db2.gz	GBKVJOIOBQCFIA-SANMLTNESA-N	1	3	426.601	4.040	40	0		IIABHO
Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCCN(C)C)cc3)CC2)c(C)c1	ZINC000585271046	568617524	/nfs/dbraw/zinc/61/75/24/568617524.db2.gz	GBKVJOIOBQCFIA-SANMLTNESA-N	1	3	426.601	4.040	40	0		IIABHO
Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)c1	ZINC000585271046	568617525	/nfs/dbraw/zinc/61/75/25/568617525.db2.gz	GBKVJOIOBQCFIA-SANMLTNESA-N	1	3	426.601	4.040	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@H+](Cc3sccc3C)C2)N(C)C1	ZINC000019238624	569226411	/nfs/dbraw/zinc/22/64/11/569226411.db2.gz	QFKOPQAROXMRJR-SBHAEUEKSA-N	1	3	427.614	4.236	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](Cc3sccc3C)C2)N(C)C1	ZINC000019238624	569226412	/nfs/dbraw/zinc/22/64/12/569226412.db2.gz	QFKOPQAROXMRJR-SBHAEUEKSA-N	1	3	427.614	4.236	40	0		IIABHO
C[NH+](C)CC(C)(C)CN1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1	ZINC000019083891	556698294	/nfs/dbraw/zinc/69/82/94/556698294.db2.gz	VBGFQZGPGIBXEB-KURKYZTESA-N	1	3	425.612	4.471	40	0		IIABHO
OC1(COc2ccc(F)cc2)CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1	ZINC000585278833	557219726	/nfs/dbraw/zinc/21/97/26/557219726.db2.gz	AIAPFTSTZFHGMF-UHFFFAOYSA-N	1	3	442.575	4.096	40	0		IIABHO
CN1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)C[C@H](Cc2ccc3ncccc3c2)C1	ZINC000257277584	568701122	/nfs/dbraw/zinc/70/11/22/568701122.db2.gz	NYOCRGHEZVABGV-HSZRJFAPSA-N	1	3	442.607	4.077	40	0		IIABHO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830757	556621775	/nfs/dbraw/zinc/62/17/75/556621775.db2.gz	UDWZOPIFAYBTEN-HSZRJFAPSA-N	1	3	426.004	4.464	40	0		IIABHO
Cc1ccc([C@H]2[C@H](NCc3ccccc3OCC[NH+](C)C)CCCN2C(=O)C2CC2)s1	ZINC000019217370	556712832	/nfs/dbraw/zinc/71/28/32/556712832.db2.gz	FPDRDCNMVFGMHZ-ZJSXRUAMSA-N	1	3	441.641	4.229	40	0		IIABHO
COc1cccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)c1	ZINC000019587696	556824033	/nfs/dbraw/zinc/82/40/33/556824033.db2.gz	RMINRNAZUULCEG-GBXCKJPGSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1cccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1	ZINC000019587696	556824036	/nfs/dbraw/zinc/82/40/36/556824036.db2.gz	RMINRNAZUULCEG-GBXCKJPGSA-N	1	3	425.548	4.005	40	0		IIABHO
Cc1ccc(OCC2(O)CCN(Cc3cccc(OCC[NH+]4CCCC4)c3)CC2)c(C)c1	ZINC000585279746	557219783	/nfs/dbraw/zinc/21/97/83/557219783.db2.gz	GKKKQHWZTZGHQK-UHFFFAOYSA-N	1	3	438.612	4.184	40	0		IIABHO
Cc1ccc(OC[C@]2(O)CCCN(Cc3cccc(OCC[NH+]4CCCC4)c3)CC2)cc1	ZINC000585281032	557220921	/nfs/dbraw/zinc/22/09/21/557220921.db2.gz	VLMPYMIRHCDPKL-MHZLTWQESA-N	1	3	438.612	4.266	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@H+](Cc3sccc3C)C2)N(C)C1	ZINC000248141243	569207322	/nfs/dbraw/zinc/20/73/22/569207322.db2.gz	QFKOPQAROXMRJR-QKNQBKEWSA-N	1	3	427.614	4.236	40	0		IIABHO
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@@H+](Cc3sccc3C)C2)N(C)C1	ZINC000248141243	569207324	/nfs/dbraw/zinc/20/73/24/569207324.db2.gz	QFKOPQAROXMRJR-QKNQBKEWSA-N	1	3	427.614	4.236	40	0		IIABHO
Cc1cc(OCC2(O)CCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc(C)c1Cl	ZINC000585273608	557215912	/nfs/dbraw/zinc/21/59/12/557215912.db2.gz	SRFATBSAZZTYPR-UHFFFAOYSA-N	1	3	447.019	4.303	40	0		IIABHO
OC1(COc2ccc(F)cc2)CCN(Cc2ccc(OCC[NH+]3CCCCC3)cc2)CC1	ZINC000585272988	557215486	/nfs/dbraw/zinc/21/54/86/557215486.db2.gz	PXSVFLHKKAWWAW-UHFFFAOYSA-N	1	3	442.575	4.096	40	0		IIABHO
Cc1ccc(OCC2(O)CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)c(C)c1	ZINC000585273597	557215803	/nfs/dbraw/zinc/21/58/03/557215803.db2.gz	SRDUGLSJYDHYCB-UHFFFAOYSA-N	1	3	438.612	4.184	40	0		IIABHO
OC1(COc2ccccc2F)CCN(Cc2cccc(OCC[NH+]3CCCCC3)c2)CC1	ZINC000585280323	557220412	/nfs/dbraw/zinc/22/04/12/557220412.db2.gz	MPAXKPOGJDXVOR-UHFFFAOYSA-N	1	3	442.575	4.096	40	0		IIABHO
Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCCN(C)C)cc3)CC2)c(C)c1	ZINC000585271045	568617824	/nfs/dbraw/zinc/61/78/24/568617824.db2.gz	GBKVJOIOBQCFIA-AREMUKBSSA-N	1	3	426.601	4.040	40	0		IIABHO
Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCCN(C)C)cc3)CC2)c(C)c1	ZINC000585271045	568617825	/nfs/dbraw/zinc/61/78/25/568617825.db2.gz	GBKVJOIOBQCFIA-AREMUKBSSA-N	1	3	426.601	4.040	40	0		IIABHO
Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)c1	ZINC000585271045	568617826	/nfs/dbraw/zinc/61/78/26/568617826.db2.gz	GBKVJOIOBQCFIA-AREMUKBSSA-N	1	3	426.601	4.040	40	0		IIABHO
O[C@]1(COc2ccccc2F)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1	ZINC000585272979	568618179	/nfs/dbraw/zinc/61/81/79/568618179.db2.gz	PWXLUWUAQQTMSX-AREMUKBSSA-N	1	3	442.575	4.096	40	0		IIABHO
CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)CC1	ZINC000585271058	568617575	/nfs/dbraw/zinc/61/75/75/568617575.db2.gz	GHCOEGRAUNLNIJ-RUZDIDTESA-N	1	3	430.564	4.216	40	0		IIABHO
CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)CC1	ZINC000585271058	568617578	/nfs/dbraw/zinc/61/75/78/568617578.db2.gz	GHCOEGRAUNLNIJ-RUZDIDTESA-N	1	3	430.564	4.216	40	0		IIABHO
O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000224799439	557652389	/nfs/dbraw/zinc/65/23/89/557652389.db2.gz	AYKGJQDMYCLTLO-QHCPKHFHSA-N	1	3	426.004	4.464	40	0		IIABHO
O=C(c1cccc(OCCN2CCCC2)c1)N1[C@H](c2ccccc2)C[C@H]2[NH2+]CCCC[C@@H]21	ZINC000257235126	568681682	/nfs/dbraw/zinc/68/16/82/568681682.db2.gz	GWOOKSIUGPBRDH-ZNZIZOMTSA-N	1	3	433.596	4.259	40	0		IIABHO
COc1ccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1	ZINC000019587665	569227199	/nfs/dbraw/zinc/22/71/99/569227199.db2.gz	DDIZTMBERJTTFS-RDPSFJRHSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1ccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000019587665	569227200	/nfs/dbraw/zinc/22/72/00/569227200.db2.gz	DDIZTMBERJTTFS-RDPSFJRHSA-N	1	3	425.548	4.005	40	0		IIABHO
O=C1CCCC[C@]2(CN(Cc3ccccc3OCC[NH+]3CCCC3)C[C@H]2c2ccccc2)N1	ZINC000585261955	557197906	/nfs/dbraw/zinc/19/79/06/557197906.db2.gz	MTPRVJZGIVDXRA-LBNVMWSVSA-N	1	3	447.623	4.190	40	0		IIABHO
Cc1ccc(OC[C@]2(O)CCCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1	ZINC000585274549	568618494	/nfs/dbraw/zinc/61/84/94/568618494.db2.gz	ZUVJVKCFFGBCBO-MHZLTWQESA-N	1	3	438.612	4.266	40	0		IIABHO
O[C@]1(COc2ccccc2)CCCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1	ZINC000585280265	557219737	/nfs/dbraw/zinc/21/97/37/557219737.db2.gz	LJGKQYLMOLHXSH-HHHXNRCGSA-N	1	3	438.612	4.347	40	0		IIABHO
Cc1ccc([C@H]2[C@H]([NH2+]Cc3ccc(OCCN(C)C)cc3)CCCN2C(=O)C2CC2)s1	ZINC000019217356	556712442	/nfs/dbraw/zinc/71/24/42/556712442.db2.gz	NWKCPOYWHSVHGI-ISKFKSNPSA-N	1	3	441.641	4.229	40	0		IIABHO
O[C@@]1(COc2ccccc2)CCCN(Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1	ZINC000585280266	557219799	/nfs/dbraw/zinc/21/97/99/557219799.db2.gz	LJGKQYLMOLHXSH-MHZLTWQESA-N	1	3	438.612	4.347	40	0		IIABHO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1	ZINC000038830717	556621335	/nfs/dbraw/zinc/62/13/35/556621335.db2.gz	HWAJGWMEYOWUCO-QHCPKHFHSA-N	1	3	426.004	4.464	40	0		IIABHO
COc1ccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1	ZINC000019587667	556823750	/nfs/dbraw/zinc/82/37/50/556823750.db2.gz	DDIZTMBERJTTFS-GBXCKJPGSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1ccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000019587667	556823753	/nfs/dbraw/zinc/82/37/53/556823753.db2.gz	DDIZTMBERJTTFS-GBXCKJPGSA-N	1	3	425.548	4.005	40	0		IIABHO
Cc1ccc(OCC2(O)CCN(Cc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000585271522	557213285	/nfs/dbraw/zinc/21/32/85/557213285.db2.gz	IFXCZPGTJFUZPC-UHFFFAOYSA-N	1	3	438.612	4.266	40	0		IIABHO
COc1ccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1	ZINC000019587661	569227306	/nfs/dbraw/zinc/22/73/06/569227306.db2.gz	DDIZTMBERJTTFS-YKSBVNFPSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1ccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000019587661	569227308	/nfs/dbraw/zinc/22/73/08/569227308.db2.gz	DDIZTMBERJTTFS-YKSBVNFPSA-N	1	3	425.548	4.005	40	0		IIABHO
Cc1ccc(OC[C@@]2(O)CCCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1	ZINC000585274547	568618438	/nfs/dbraw/zinc/61/84/38/568618438.db2.gz	ZUVJVKCFFGBCBO-HHHXNRCGSA-N	1	3	438.612	4.266	40	0		IIABHO
COc1cccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)c1	ZINC000019587690	569227259	/nfs/dbraw/zinc/22/72/59/569227259.db2.gz	RMINRNAZUULCEG-YKSBVNFPSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1cccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1	ZINC000019587690	569227260	/nfs/dbraw/zinc/22/72/60/569227260.db2.gz	RMINRNAZUULCEG-YKSBVNFPSA-N	1	3	425.548	4.005	40	0		IIABHO
C[NH+](C)CC(C)(C)CN1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1	ZINC000019083894	556698270	/nfs/dbraw/zinc/69/82/70/556698270.db2.gz	VBGFQZGPGIBXEB-KSZLIROESA-N	1	3	425.612	4.471	40	0		IIABHO
O[C@]1(COc2ccccc2F)CCCN(Cc2cccc(OCC[NH+]3CCCC3)c2)CC1	ZINC000585280771	557220453	/nfs/dbraw/zinc/22/04/53/557220453.db2.gz	SILCMHSNILDQOG-AREMUKBSSA-N	1	3	442.575	4.096	40	0		IIABHO
COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCc1ccccc1F	ZINC000008373828	556158623	/nfs/dbraw/zinc/15/86/23/556158623.db2.gz	WTNIVKUJZZVFMU-UHFFFAOYSA-N	1	3	425.342	4.217	40	0		IIABHO
O[C@@]1(COc2ccccc2F)CCCN(Cc2cccc(OCC[NH+]3CCCC3)c2)CC1	ZINC000585280773	557220469	/nfs/dbraw/zinc/22/04/69/557220469.db2.gz	SILCMHSNILDQOG-SANMLTNESA-N	1	3	442.575	4.096	40	0		IIABHO
C/C=C\C(/C=C\C)(C(=O)O[C@@H](C)CN(C)C)C(/C=C\C)(/C=C\C)C(=O)O[C@@H](C)C[NH+](C)C	ZINC000017302539	518556984	/nfs/dbraw/zinc/55/69/84/518556984.db2.gz	UMCICMBMDVDMOJ-YMQHZFADSA-N	1	3	448.648	4.250	40	0		IIABHO
COc1ccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1	ZINC000019587663	556823672	/nfs/dbraw/zinc/82/36/72/556823672.db2.gz	DDIZTMBERJTTFS-HYBUGGRVSA-N	1	3	425.548	4.005	40	0		IIABHO
COc1ccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000019587663	556823675	/nfs/dbraw/zinc/82/36/75/556823675.db2.gz	DDIZTMBERJTTFS-HYBUGGRVSA-N	1	3	425.548	4.005	40	0		IIABHO
O=C(c1cccc(OCCN2CCCC2)c1)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21	ZINC000585261651	557195048	/nfs/dbraw/zinc/19/50/48/557195048.db2.gz	UNSMEHXCNAJADS-QKDODKLFSA-N	1	3	447.623	4.302	40	0		IIABHO
C[NH+]1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CC1	ZINC000219427057	557245013	/nfs/dbraw/zinc/24/50/13/557245013.db2.gz	GPGTXBXZTMIDLV-UHFFFAOYSA-N	1	3	425.548	4.149	40	0		IIABHO