smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1	ZINC000095358336	211222907	/nfs/dbraw/zinc/22/29/07/211222907.db2.gz	HBFWAILPDSCTKU-JOCHJYFZSA-N	2	0	375.560	4.624	50	0		GJAARP
Cc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1	ZINC000012477796	570821081	/nfs/dbraw/zinc/82/10/81/570821081.db2.gz	ZPNCAVUIJDBOGL-OAQYLSRUSA-N	2	0	376.610	4.692	50	0		GJAARP
Cc1nc[nH]c1C[N@H+](CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1	ZINC000012317620	204394911	/nfs/dbraw/zinc/39/49/11/204394911.db2.gz	QMSLIRPUHRLZJF-UHFFFAOYSA-N	2	0	394.607	4.726	50	0		GJAARP
C[N@H+](Cc1c[nH]nc1-c1cccc2ccccc21)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020599043	570269715	/nfs/dbraw/zinc/26/97/15/570269715.db2.gz	MWQFYPBGKBPPTM-UHFFFAOYSA-N	2	0	376.548	4.971	50	0		GJAARP
C[n+]1c2ccccc2sc1SCSc1sc2ccccc2[n+]1C	ZINC000003107031	570328814	/nfs/dbraw/zinc/32/88/14/570328814.db2.gz	JKXROVWGVPRPKE-UHFFFAOYSA-N	2	0	376.597	4.607	50	0		GJAARP
COc1ccc(C[NH2+]CC[C@H]2[C@@H](Cc3ccccc3)[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004696767	570636121	/nfs/dbraw/zinc/63/61/21/570636121.db2.gz	YGTJKNIFCYOPGW-OUYJLQGDSA-N	2	0	380.576	4.620	50	0		GJAARP
C[N@H+](Cc1cccc(OCC[C@H]2CCCC[NH2+]2)c1)Cc1cccc2cccnc21	ZINC000299758908	206187317	/nfs/dbraw/zinc/18/73/17/206187317.db2.gz	LOVXUDZZCRLQMX-HSZRJFAPSA-N	2	0	389.543	4.778	50	0		GJAARP
CC[N@@H+](Cc1cc2ccccc2s1)CC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000011879321	204359064	/nfs/dbraw/zinc/35/90/64/204359064.db2.gz	OGYNIYWTVGNZLM-UHFFFAOYSA-N	2	0	385.621	4.529	50	0		GJAARP
COc1ccc(C[NH2+]CC[C@H]2[C@@H](Cc3ccccc3)[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000013562065	570851680	/nfs/dbraw/zinc/85/16/80/570851680.db2.gz	YGTJKNIFCYOPGW-GRADPPADSA-N	2	0	380.576	4.620	50	0		GJAARP
Oc1cccc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)c1	ZINC000095356409	571052400	/nfs/dbraw/zinc/05/24/00/571052400.db2.gz	WPBHDBIFSWHHSX-JOCHJYFZSA-N	2	0	376.544	4.626	50	0		GJAARP
FC(F)(F)CCC[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000011874020	570589799	/nfs/dbraw/zinc/58/97/99/570589799.db2.gz	AOEMAQNZBHUWSI-UHFFFAOYSA-N	2	0	383.502	4.881	50	0		GJAARP
Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2ccc(C3CCCCC3)cc2)n1	ZINC000012592022	570687493	/nfs/dbraw/zinc/68/74/93/570687493.db2.gz	YDCOOALRMWNYPJ-LJQANCHMSA-N	2	0	380.580	4.566	50	0		GJAARP
C[N@@H+](Cc1cccc2cccnc21)CC1CC[NH+](CCc2ccccc2F)CC1	ZINC000014950893	570865820	/nfs/dbraw/zinc/86/58/20/570865820.db2.gz	PXEKTHSAAQRWBC-UHFFFAOYSA-N	2	0	391.534	4.760	50	0		GJAARP
CC(=O)c1cccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000012049161	204368671	/nfs/dbraw/zinc/36/86/71/204368671.db2.gz	ZJQFJWANBUBFEM-RUZDIDTESA-N	2	0	398.591	4.525	50	0		GJAARP
CC[N@@H+](Cc1nc2ccccc2[nH]1)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000043083192	205081404	/nfs/dbraw/zinc/08/14/04/205081404.db2.gz	DJVRPCLXWWYSNO-UHFFFAOYSA-N	2	0	390.575	4.648	50	0		GJAARP
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(C[NH+]2CCCC2)cc1	ZINC000014187930	211704848	/nfs/dbraw/zinc/70/48/48/211704848.db2.gz	BMXPYXNWLKNTIP-UHFFFAOYSA-N	2	0	378.520	4.522	50	0		GJAARP
Cc1ccccc1-c1cccc(N2CCC([NH+]3CCC([NH+](C)C)CC3)CC2)c1	ZINC000063855769	136156548	/nfs/dbraw/zinc/15/65/48/136156548.db2.gz	LVRGXEZTSROUAR-UHFFFAOYSA-N	2	0	377.576	4.657	50	0		GJAARP
C[NH+](C)CCC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1	ZINC000006662241	570525535	/nfs/dbraw/zinc/52/55/35/570525535.db2.gz	RBXMWPWASVANNY-QUCCMNQESA-N	2	0	381.004	4.635	50	0		GJAARP
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1	ZINC000015185457	570883942	/nfs/dbraw/zinc/88/39/42/570883942.db2.gz	GDAPNWODJAYIFC-UHFFFAOYSA-N	2	0	392.522	4.514	50	0		GJAARP
O=C(CC[NH+]1CCCCCC1)c1ccc(C(=O)CC[NH+]2CCCCCC2)cc1	ZINC000004844095	570932604	/nfs/dbraw/zinc/93/26/04/570932604.db2.gz	ZBAWPXJEJJOENA-UHFFFAOYSA-N	2	0	384.564	4.584	50	0		GJAARP
CC[NH+]1CCC(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)CC1	ZINC000015069780	570876990	/nfs/dbraw/zinc/87/69/90/570876990.db2.gz	ARUBPFUTFQHAML-RUZDIDTESA-N	2	0	383.624	4.582	50	0		GJAARP
C[N@@H+](Cc1c[nH]c2ccccc12)CC1CC[NH+](CCc2cccc(F)c2)CC1	ZINC000015073476	210150635	/nfs/dbraw/zinc/15/06/35/210150635.db2.gz	RJYYYSMAYFTGOS-UHFFFAOYSA-N	2	0	379.523	4.694	50	0		GJAARP
COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3c[nH]c4ccccc34)C2)cc1	ZINC000012757900	210003337	/nfs/dbraw/zinc/00/33/37/210003337.db2.gz	HKXCWBAEABWSOQ-OAQYLSRUSA-N	2	0	391.559	4.563	50	0		GJAARP
COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004006314	204022958	/nfs/dbraw/zinc/02/29/58/204022958.db2.gz	BWDBVIZIEPZRRP-DNRQZRRGSA-N	2	0	380.576	4.764	50	0		GJAARP
Fc1ccc(F)c(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000011878658	570590568	/nfs/dbraw/zinc/59/05/68/570590568.db2.gz	WAIIKTMFLRWDCM-QFIPXVFZSA-N	2	0	392.534	4.600	50	0		GJAARP
Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2ccc(C3CCCCC3)cc2)n1	ZINC000012592013	570687602	/nfs/dbraw/zinc/68/76/02/570687602.db2.gz	YDCOOALRMWNYPJ-IBGZPJMESA-N	2	0	380.580	4.566	50	0		GJAARP
C[N@@H+]1CCC[C@@H]([N+]2=N[C@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1	ZINC000035024250	570548732	/nfs/dbraw/zinc/54/87/32/570548732.db2.gz	NOQDKYGQBYLUST-WIYYLYMNSA-N	2	0	382.915	4.727	50	0		GJAARP
C[N@@H+](Cc1ccc(O)c(Cl)c1)CC1CC[NH+](CCc2cccc(F)c2)CC1	ZINC000012204019	570625636	/nfs/dbraw/zinc/62/56/36/570625636.db2.gz	YICJAVXJQDPFDW-UHFFFAOYSA-N	2	0	390.930	4.571	50	0		GJAARP
C[N@@H+](Cc1cccc2cnccc21)CC1CC[NH+](CCc2ccc(F)cc2)CC1	ZINC000012705926	570700185	/nfs/dbraw/zinc/70/01/85/570700185.db2.gz	NWIOVOWCAAGFPO-UHFFFAOYSA-N	2	0	391.534	4.760	50	0		GJAARP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc2ccccc21	ZINC000012872272	210020369	/nfs/dbraw/zinc/02/03/69/210020369.db2.gz	VGTPNPCGKPJDOH-IBGZPJMESA-N	2	0	387.527	4.552	50	0		GJAARP
C[NH+](C)CCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1	ZINC000006662238	204190549	/nfs/dbraw/zinc/19/05/49/204190549.db2.gz	RBXMWPWASVANNY-AZUAARDMSA-N	2	0	381.004	4.635	50	0		GJAARP
Fc1cccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000067872792	205265738	/nfs/dbraw/zinc/26/57/38/205265738.db2.gz	SOKIKSOCBPOEPA-UHFFFAOYSA-N	2	0	381.539	4.878	50	0		GJAARP
CC[N@@H+](Cc1ccc(COC)o1)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012072396	570603922	/nfs/dbraw/zinc/60/39/22/570603922.db2.gz	BJVYRGPZFSWPNR-UHFFFAOYSA-N	2	0	384.564	4.511	50	0		GJAARP
c1ccc(CC2CC[NH+](Cc3cccc(OC[C@H]4CCC[NH2+]C4)c3)CC2)cc1	ZINC000299775862	206189235	/nfs/dbraw/zinc/18/92/35/206189235.db2.gz	KQKCXDRIAYSHMK-DEOSSOPVSA-N	2	0	378.560	4.520	50	0		GJAARP
COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013511987	570756429	/nfs/dbraw/zinc/75/64/29/570756429.db2.gz	BWDBVIZIEPZRRP-STWLZBDKSA-N	2	0	380.576	4.764	50	0		GJAARP
C[N@H+](CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C[C@H]1CCOC(C)(C)C1	ZINC000014964714	210137105	/nfs/dbraw/zinc/13/71/05/210137105.db2.gz	VBEHETDPZCLQQO-NRFANRHFSA-N	2	0	393.015	4.732	50	0		GJAARP
C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1	ZINC000083865565	205390545	/nfs/dbraw/zinc/39/05/45/205390545.db2.gz	DHTSJYXUHKDQFN-QFIPXVFZSA-N	2	0	398.595	4.543	50	0		GJAARP
Oc1cccc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)c1	ZINC000095356410	211222516	/nfs/dbraw/zinc/22/25/16/211222516.db2.gz	WPBHDBIFSWHHSX-QFIPXVFZSA-N	2	0	376.544	4.626	50	0		GJAARP
Cc1cccc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1	ZINC000095358335	571053292	/nfs/dbraw/zinc/05/32/92/571053292.db2.gz	HBFWAILPDSCTKU-QFIPXVFZSA-N	2	0	375.560	4.624	50	0		GJAARP
Fc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000011878260	204358955	/nfs/dbraw/zinc/35/89/55/204358955.db2.gz	CZEAHMRCTYLJJX-QFIPXVFZSA-N	2	0	392.534	4.600	50	0		GJAARP
C[N@@H+]1CCC[C@H]([N+]2=N[C@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1	ZINC000035024247	570548448	/nfs/dbraw/zinc/54/84/48/570548448.db2.gz	NOQDKYGQBYLUST-GHTZIAJQSA-N	2	0	382.915	4.727	50	0		GJAARP
c1ccc(C[NH+]2CCC(N3CC[NH+](Cc4cccc5ccccc54)CC3)CC2)cc1	ZINC000019889548	210304829	/nfs/dbraw/zinc/30/48/29/210304829.db2.gz	JXSXUQZVIBCIDH-UHFFFAOYSA-N	2	0	399.582	4.622	50	0		GJAARP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1cccc2ccccc21	ZINC000012872260	570273295	/nfs/dbraw/zinc/27/32/95/570273295.db2.gz	VGTPNPCGKPJDOH-LJQANCHMSA-N	2	0	387.527	4.552	50	0		GJAARP
CSCCC[N@H+](C)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1	ZINC000012470684	570672830	/nfs/dbraw/zinc/67/28/30/570672830.db2.gz	ZQDOIYLXFJTPPZ-SFHVURJKSA-N	2	0	388.543	4.645	50	0		GJAARP
C[C@@H](c1ccc(-c2c(-c3ccccc3)ncn2CCC[NH+](C)C)cc1)[NH+](C)C	ZINC000065405068	570766683	/nfs/dbraw/zinc/76/66/83/570766683.db2.gz	OKFDFZFTRYMFMZ-IBGZPJMESA-N	2	0	376.548	4.791	50	0		GJAARP
Cc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)s1	ZINC000012477792	570820994	/nfs/dbraw/zinc/82/09/94/570820994.db2.gz	ZPNCAVUIJDBOGL-NRFANRHFSA-N	2	0	376.610	4.692	50	0		GJAARP
COc1ccccc1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1	ZINC000012317969	204395535	/nfs/dbraw/zinc/39/55/35/204395535.db2.gz	RCDIHAQSZMKHGM-UHFFFAOYSA-N	2	0	393.575	4.747	50	0		GJAARP
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCCC1	ZINC000052919910	205134568	/nfs/dbraw/zinc/13/45/68/205134568.db2.gz	QPVNKMJXYRZJNE-UHFFFAOYSA-N	2	0	392.522	4.514	50	0		GJAARP
C[N@H+](CCCC(F)(F)F)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1	ZINC000012716441	570704816	/nfs/dbraw/zinc/70/48/16/570704816.db2.gz	DLUGLFFCZREPAP-UHFFFAOYSA-N	2	0	376.894	4.869	50	0		GJAARP
CC(=O)c1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000012049156	221144329	/nfs/dbraw/zinc/14/43/29/221144329.db2.gz	ZJQFJWANBUBFEM-VWLOTQADSA-N	2	0	398.591	4.525	50	0		GJAARP
COc1ccc(CC[N@@H+](Cc2c[nH]c3ccccc23)CC2CC[NH+](C)CC2)cc1	ZINC000015064001	221328192	/nfs/dbraw/zinc/32/81/92/221328192.db2.gz	SANFSFYTDNUBJE-UHFFFAOYSA-N	2	0	391.559	4.563	50	0		GJAARP
C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)nc2)cc1	ZINC000215134698	570286073	/nfs/dbraw/zinc/28/60/73/570286073.db2.gz	MRQWPEJVKALUFH-HXUWFJFHSA-N	2	0	378.545	4.604	50	0		GJAARP
C[C@H](c1ccc(-c2c(-c3ccccc3)ncn2CCC[NH+](C)C)cc1)[NH+](C)C	ZINC000065405069	570766689	/nfs/dbraw/zinc/76/66/89/570766689.db2.gz	OKFDFZFTRYMFMZ-LJQANCHMSA-N	2	0	376.548	4.791	50	0		GJAARP
C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2ccccc21	ZINC000057406583	222032438	/nfs/dbraw/zinc/03/24/38/222032438.db2.gz	XVXWCHUJWFTGFC-IBGZPJMESA-N	2	0	387.527	4.725	50	0		GJAARP
COc1ccc(C[NH2+]CC[C@]2(Cc3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013511982	570756416	/nfs/dbraw/zinc/75/64/16/570756416.db2.gz	BWDBVIZIEPZRRP-BPYKYCOYSA-N	2	0	380.576	4.764	50	0		GJAARP
C[N@@H+]1CCC[C@H]([N+]2=N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1	ZINC000021984900	570961772	/nfs/dbraw/zinc/96/17/72/570961772.db2.gz	NOQDKYGQBYLUST-RXVVDRJESA-N	2	0	382.915	4.727	50	0		GJAARP
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2ccc(C(C)C)cc2)CC1	ZINC000012196186	207286522	/nfs/dbraw/zinc/28/65/22/207286522.db2.gz	FLGYPJTZWIXCJM-UHFFFAOYSA-N	2	0	395.591	4.566	50	0		GJAARP
C[N@H+](CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C[C@@H]1CCOC(C)(C)C1	ZINC000014964710	221322469	/nfs/dbraw/zinc/32/24/69/221322469.db2.gz	VBEHETDPZCLQQO-OAQYLSRUSA-N	2	0	393.015	4.732	50	0		GJAARP
CC[NH+]1CCC(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)CC1	ZINC000015069782	221329539	/nfs/dbraw/zinc/32/95/39/221329539.db2.gz	ARUBPFUTFQHAML-VWLOTQADSA-N	2	0	383.624	4.582	50	0		GJAARP
C[N@H+](Cc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1)Cc1cccc2cccnc21	ZINC000299758910	209081682	/nfs/dbraw/zinc/08/16/82/209081682.db2.gz	LOVXUDZZCRLQMX-QHCPKHFHSA-N	2	0	389.543	4.778	50	0		GJAARP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc2ccccc2c1	ZINC000058160630	570712934	/nfs/dbraw/zinc/71/29/34/570712934.db2.gz	IRTSOURLXZOXEE-IBGZPJMESA-N	2	0	387.527	4.552	50	0		GJAARP
COc1ccc(CC[N@@H+](Cc2ccc(Cl)s2)CC2CC[NH+](C)CC2)cc1	ZINC000011878584	221134602	/nfs/dbraw/zinc/13/46/02/221134602.db2.gz	DYVGOUBKLCJRMF-UHFFFAOYSA-N	2	0	392.996	4.797	50	0		GJAARP
Cc1ccccc1CC[NH+]1CCC(C[N@H+](C[C@@H]2CCOC2)C2CCCC2)CC1	ZINC000012202954	221168451	/nfs/dbraw/zinc/16/84/51/221168451.db2.gz	YKJSUMWQHATYCQ-QHCPKHFHSA-N	2	0	384.608	4.531	50	0		GJAARP
CC[NH+](CC)CCOc1ccc2c(c1)Cc1cc(OCC[NH+](CC)CC)ccc1-2	ZINC000004350342	570370370	/nfs/dbraw/zinc/37/03/70/570370370.db2.gz	OGASKEFEDVPEBM-UHFFFAOYSA-N	2	0	396.575	4.699	50	0		GJAARP
Cc1noc(C)c1CC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1	ZINC000225509579	570581897	/nfs/dbraw/zinc/58/18/97/570581897.db2.gz	SOJZYXJPXMEQKU-QHCPKHFHSA-N	2	0	387.543	4.816	50	0		GJAARP
Cc1ccccc1CC[NH+]1CCC(C[N@H+](C[C@H]2CCOC2)C2CCCC2)CC1	ZINC000012202960	570625024	/nfs/dbraw/zinc/62/50/24/570625024.db2.gz	YKJSUMWQHATYCQ-HSZRJFAPSA-N	2	0	384.608	4.531	50	0		GJAARP
CC[N@@H+](Cc1cccc(C(C)=O)c1)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000014950159	207033410	/nfs/dbraw/zinc/03/34/10/207033410.db2.gz	SQEAKGKDDIXOTH-UHFFFAOYSA-N	2	0	392.587	4.974	50	0		GJAARP
Cc1noc(C)c1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2	ZINC000095382396	208171378	/nfs/dbraw/zinc/17/13/78/208171378.db2.gz	ZQOJJFWUCJHGIB-NRFANRHFSA-N	2	0	379.548	4.526	50	0		GJAARP
C[NH+](C)CCC[NH2+]CC[C@H](Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1	ZINC000006662240	570525837	/nfs/dbraw/zinc/52/58/37/570525837.db2.gz	RBXMWPWASVANNY-UYAOXDASSA-N	2	0	381.004	4.635	50	0		GJAARP
CCc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)o1	ZINC000012302684	570636804	/nfs/dbraw/zinc/63/68/04/570636804.db2.gz	NTNZUVMCMLMUAG-UHFFFAOYSA-N	2	0	381.564	4.894	50	0		GJAARP
CSCCC[N@H+](C)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1	ZINC000012470691	570672599	/nfs/dbraw/zinc/67/25/99/570672599.db2.gz	ZQDOIYLXFJTPPZ-GOSISDBHSA-N	2	0	388.543	4.645	50	0		GJAARP
Fc1ccc(F)c(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1	ZINC000011878659	221134260	/nfs/dbraw/zinc/13/42/60/221134260.db2.gz	WAIIKTMFLRWDCM-JOCHJYFZSA-N	2	0	392.534	4.600	50	0		GJAARP
COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3c[nH]c4ccccc34)C2)cc1	ZINC000012757895	570710604	/nfs/dbraw/zinc/71/06/04/570710604.db2.gz	HKXCWBAEABWSOQ-NRFANRHFSA-N	2	0	391.559	4.563	50	0		GJAARP
Cc1cccc(N2CCC([N@@H+]3CC[C@]4(C3)CCC[NH+](CC3CCC3)C4)CC2)c1	ZINC000011821709	206225251	/nfs/dbraw/zinc/22/52/51/206225251.db2.gz	ZYAXHGNGGZDGHD-RUZDIDTESA-N	2	0	381.608	4.552	50	0		GJAARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3OC(F)F)CC2)o1	ZINC000011844389	221131744	/nfs/dbraw/zinc/13/17/44/221131744.db2.gz	LQVLBIUHQBNZIV-UHFFFAOYSA-N	2	0	378.463	4.533	50	0		GJAARP
CC1(C)C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)C(c2ccc(Cl)cc2)[N+]1=O	ZINC000007813298	208690485	/nfs/dbraw/zinc/69/04/85/208690485.db2.gz	BSZYSYOTMYHAQV-UHFFFAOYSA-N	2	0	391.298	4.863	50	0		GJAARP
C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1	ZINC000083865567	222312328	/nfs/dbraw/zinc/31/23/28/222312328.db2.gz	DHTSJYXUHKDQFN-JOCHJYFZSA-N	2	0	398.595	4.543	50	0		GJAARP
CCCn1ncc(C[N@H+](CC)CC2CC[NH+](CCc3ccccc3C)CC2)c1C	ZINC000012590980	570687133	/nfs/dbraw/zinc/68/71/33/570687133.db2.gz	CRKZXFJXYDUYBW-UHFFFAOYSA-N	2	0	396.623	4.687	50	0		GJAARP
Cc1cccc(N2CCC([N@@H+]3CC[C@@]4(C3)CCC[NH+](CC3CCC3)C4)CC2)c1	ZINC000011821710	206226694	/nfs/dbraw/zinc/22/66/94/206226694.db2.gz	ZYAXHGNGGZDGHD-VWLOTQADSA-N	2	0	381.608	4.552	50	0		GJAARP
Fc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000011878261	221134416	/nfs/dbraw/zinc/13/44/16/221134416.db2.gz	CZEAHMRCTYLJJX-JOCHJYFZSA-N	2	0	392.534	4.600	50	0		GJAARP
C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)nc2)cc1	ZINC000215134654	570286022	/nfs/dbraw/zinc/28/60/22/570286022.db2.gz	MRQWPEJVKALUFH-FQEVSTJZSA-N	2	0	378.545	4.604	50	0		GJAARP
Cc1noc(C)c1CC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1	ZINC000225509608	570581963	/nfs/dbraw/zinc/58/19/63/570581963.db2.gz	SOJZYXJPXMEQKU-HSZRJFAPSA-N	2	0	387.543	4.816	50	0		GJAARP
Cc1noc(C)c1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2	ZINC000095382397	571068778	/nfs/dbraw/zinc/06/87/78/571068778.db2.gz	ZQOJJFWUCJHGIB-OAQYLSRUSA-N	2	0	379.548	4.526	50	0		GJAARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(OC(F)F)cc3)CC2)o1	ZINC000015075752	207046998	/nfs/dbraw/zinc/04/69/98/207046998.db2.gz	YMKDUEVJNPLIOR-UHFFFAOYSA-N	2	0	378.463	4.533	50	0		GJAARP
C[NH+](C)CCC[NH2+]CC[C@@H](Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1	ZINC000006662239	220948317	/nfs/dbraw/zinc/94/83/17/220948317.db2.gz	RBXMWPWASVANNY-ICSRJNTNSA-N	2	0	381.004	4.635	50	0		GJAARP
c1ccc(CC2CC[NH+](Cc3cccc(OC[C@@H]4CCC[NH2+]C4)c3)CC2)cc1	ZINC000299775867	209086130	/nfs/dbraw/zinc/08/61/30/209086130.db2.gz	KQKCXDRIAYSHMK-XMMPIXPASA-N	2	0	378.560	4.520	50	0		GJAARP
COc1ccc(C[N@@H+](Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012436305	570662165	/nfs/dbraw/zinc/66/21/65/570662165.db2.gz	FOXOTKRAXYEVQS-UHFFFAOYSA-N	2	0	393.575	4.747	50	0		GJAARP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc2ccccc2c1	ZINC000058160631	570712922	/nfs/dbraw/zinc/71/29/22/570712922.db2.gz	IRTSOURLXZOXEE-LJQANCHMSA-N	2	0	387.527	4.552	50	0		GJAARP
C[N@@H+]1CCC[C@@H]([N+]2=N[C@@H](Cc3ccc(Cl)cc3)c3ccccc3C2=O)CC1	ZINC000021984899	570961467	/nfs/dbraw/zinc/96/14/67/570961467.db2.gz	NOQDKYGQBYLUST-NQIIRXRSSA-N	2	0	382.915	4.727	50	0		GJAARP
C[N@@H+](Cc1cccc2ncccc12)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000012711343	221220007	/nfs/dbraw/zinc/22/00/07/221220007.db2.gz	NPSCQLAKVPVVNN-OAQYLSRUSA-N	2	0	391.534	4.760	50	0		GJAARP
COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1ccccc1	ZINC000008775644	221058321	/nfs/dbraw/zinc/05/83/21/221058321.db2.gz	CXJNPNPMMLSICP-UHFFFAOYSA-N	2	0	382.548	4.673	50	0		GJAARP