smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C[NH2+]C2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000012298952	204391341	/nfs/dbraw/zinc/39/13/41/204391341.db2.gz	PSQASSZMMQYHQK-HXUWFJFHSA-N	2	0	392.540	2.580	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1	ZINC000170941620	551643435	/nfs/dbraw/zinc/64/34/35/551643435.db2.gz	MFGRHQVFXAEQOK-ZDUSSCGKSA-N	2	0	399.329	2.702	10	0		GFAERP
C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cccc(Br)c3)CC[C@@H]21	ZINC000178422695	552170160	/nfs/dbraw/zinc/17/01/60/552170160.db2.gz	REZAPSXVJFPVCJ-HFTRVMKXSA-N	2	0	383.330	2.605	10	0		GFAERP
[NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1	ZINC000048284575	570231073	/nfs/dbraw/zinc/23/10/73/570231073.db2.gz	SGWQMYTXVOICLV-QGZVFWFLSA-N	2	0	375.476	2.670	10	0		GFAERP
COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3cc[nH+]c4ccccc43)CC2)C1	ZINC000071405752	205283762	/nfs/dbraw/zinc/28/37/62/205283762.db2.gz	PGUQPGOFPGPSHS-SFHVURJKSA-N	2	0	396.535	2.678	10	0		GFAERP
C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1	ZINC000151328143	551411453	/nfs/dbraw/zinc/41/14/53/551411453.db2.gz	SAZVQEFIENJASC-RHSMWYFYSA-N	2	0	398.345	2.603	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)CC1	ZINC000170941923	551643571	/nfs/dbraw/zinc/64/35/71/551643571.db2.gz	LJBSFVYCWZUXDL-KSSFIOAISA-N	2	0	385.346	2.507	10	0		GFAERP
COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br	ZINC000178609784	552173326	/nfs/dbraw/zinc/17/33/26/552173326.db2.gz	IJUSWWDSURQKRP-CQSZACIVSA-N	2	0	385.346	2.982	10	0		GFAERP
C[NH+](CC(=O)NCCNC(=O)C[N@@H+](C)C1CCCCCC1)C1CCCCCC1	ZINC000009500475	204314220	/nfs/dbraw/zinc/31/42/20/204314220.db2.gz	XWUIKBRUEXKAQR-UHFFFAOYSA-N	2	0	394.604	2.528	10	0		GFAERP
CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)COc2cccc(Br)c2)C1	ZINC000174225907	655194059	/nfs/dbraw/zinc/19/40/59/655194059.db2.gz	JYLOYQXRSHAPSG-RDJZCZTQSA-N	2	0	385.346	2.853	10	0		GFAERP
C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1	ZINC000151250262	551410069	/nfs/dbraw/zinc/41/00/69/551410069.db2.gz	FDGWUOLSJSRFSU-WMLDXEAASA-N	2	0	398.345	2.603	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc3ccc(Br)cn23)CC1	ZINC000179515219	552194926	/nfs/dbraw/zinc/19/49/26/552194926.db2.gz	YHDNFSRPZBEUJQ-AWEZNQCLSA-N	2	0	395.345	2.621	10	0		GFAERP
Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O	ZINC000180093827	655321847	/nfs/dbraw/zinc/32/18/47/655321847.db2.gz	JUNKKXAGYUHMFK-CQSZACIVSA-N	2	0	385.346	2.988	10	0		GFAERP
O=S(=O)(N[C@@H]1CC[N@@H+](C2CCC2)C1)c1ccc(C[NH2+]C2CCCC2)cc1	ZINC000098178634	208369886	/nfs/dbraw/zinc/36/98/86/208369886.db2.gz	OUSAAZFJEMTFRH-GOSISDBHSA-N	2	0	377.554	2.624	10	0		GFAERP
COc1ccc(Br)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000121106720	551227409	/nfs/dbraw/zinc/22/74/09/551227409.db2.gz	VVMMORMUNXTXHD-AWEZNQCLSA-N	2	0	385.346	2.982	10	0		GFAERP
C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnccn1	ZINC000095504539	208203769	/nfs/dbraw/zinc/20/37/69/208203769.db2.gz	VYFHHQSXXXHBHQ-SFHVURJKSA-N	2	0	399.514	2.532	10	0		GFAERP
CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]([NH3+])COC	ZINC000262280610	553168787	/nfs/dbraw/zinc/16/87/87/553168787.db2.gz	LSBZZVHQTSKZDK-MRXNPFEDSA-N	2	0	376.328	2.638	10	0		GFAERP
C[N@H+](CCc1ccccc1)C1(C(=O)N2CCC(C[NH3+])CC2)Cc2ccccc2C1	ZINC000072169590	570877601	/nfs/dbraw/zinc/87/76/01/570877601.db2.gz	IDNNDIXTDAFTRC-UHFFFAOYSA-N	2	0	391.559	2.896	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3c(cc2Br)OCO3)CC1	ZINC000170941915	551643402	/nfs/dbraw/zinc/64/34/02/551643402.db2.gz	AOWSGXPAPJYONH-CYBMUJFWSA-N	2	0	399.329	2.702	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc3ccc(Br)cn23)CC1	ZINC000179515291	552195649	/nfs/dbraw/zinc/19/56/49/552195649.db2.gz	YHDNFSRPZBEUJQ-CQSZACIVSA-N	2	0	395.345	2.621	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3c(cc2Br)OCO3)CC1	ZINC000170941914	551643892	/nfs/dbraw/zinc/64/38/92/551643892.db2.gz	AOWSGXPAPJYONH-ZDUSSCGKSA-N	2	0	399.329	2.702	10	0		GFAERP
CSCC[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000023367757	207274453	/nfs/dbraw/zinc/27/44/53/207274453.db2.gz	OTQYEJASITUZIB-NRFANRHFSA-N	2	0	386.561	2.937	10	0		GFAERP
Cc1nccn1C[C@H]1CCCN1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802122	553150366	/nfs/dbraw/zinc/15/03/66/553150366.db2.gz	RHOAKWLYLYZYQP-HZPDHXFCSA-N	2	0	377.286	2.645	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000106126316	655103791	/nfs/dbraw/zinc/10/37/91/655103791.db2.gz	TYFDEVLLMPJYEC-ZDUSSCGKSA-N	2	0	388.339	2.957	10	0		GFAERP
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2	ZINC000014531507	210120179	/nfs/dbraw/zinc/12/01/79/210120179.db2.gz	UNHBPMOBPODTOS-UHFFFAOYSA-N	2	0	398.507	2.613	10	0		GFAERP
Cc1ccc(NC(=O)c2ccc([C@H](C)N3CC[NH2+]CC3)cc2)cc1NC(N)=[NH2+]	ZINC000098088029	212076556	/nfs/dbraw/zinc/07/65/56/212076556.db2.gz	ZIGGOGOUDRPJTO-HNNXBMFYSA-N	2	0	380.496	2.519	10	0		GFAERP
CCC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc(Br)c2)CC1	ZINC000171940584	551666933	/nfs/dbraw/zinc/66/69/33/551666933.db2.gz	FFFTXIWXHLQHSU-KRWDZBQOSA-N	2	0	385.346	2.995	10	0		GFAERP
C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnccn1	ZINC000095504538	211255830	/nfs/dbraw/zinc/25/58/30/211255830.db2.gz	VYFHHQSXXXHBHQ-GOSISDBHSA-N	2	0	399.514	2.532	10	0		GFAERP
C[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccccn1)CC3	ZINC000096087684	211300671	/nfs/dbraw/zinc/30/06/71/211300671.db2.gz	UEMRNHPKWLYXRA-NZQKXSOJSA-N	2	0	382.552	2.628	10	0		GFAERP
COc1c(Br)cccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000186942741	552402171	/nfs/dbraw/zinc/40/21/71/552402171.db2.gz	LRNUDPBKLOUTCH-AWEZNQCLSA-N	2	0	385.346	2.982	10	0		GFAERP
CC[NH+](CC)C[C@H]1CCN(C[C@H](O)COc2cccc(Br)c2)C1	ZINC000174225918	655193931	/nfs/dbraw/zinc/19/39/31/655193931.db2.gz	JYLOYQXRSHAPSG-WBVHZDCISA-N	2	0	385.346	2.853	10	0		GFAERP
C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)C[NH+]1CCCCC1	ZINC000151250206	551409944	/nfs/dbraw/zinc/40/99/44/551409944.db2.gz	FDGWUOLSJSRFSU-PBHICJAKSA-N	2	0	398.345	2.603	10	0		GFAERP
CC[C@@H](c1ccc(Br)cc1)N1CCN(Cc2noc(CN)n2)CC1	ZINC000261605793	553153957	/nfs/dbraw/zinc/15/39/57/553153957.db2.gz	BDMGRLXLHZHSNR-HNNXBMFYSA-N	2	0	394.317	2.560	10	0		GFAERP
c1ccc(C[N@@H+]2CC[C@@H](Nc3nc(-c4ccccn4)nc4c3CC[NH2+]C4)C2)cc1	ZINC000072128358	211070926	/nfs/dbraw/zinc/07/09/26/211070926.db2.gz	YNIJMORJDXJLQQ-GOSISDBHSA-N	2	0	386.503	2.871	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2Br)CC1	ZINC000152945064	551443228	/nfs/dbraw/zinc/44/32/28/551443228.db2.gz	QTMCMFPYLYCDFX-KSSFIOAISA-N	2	0	385.346	2.507	10	0		GFAERP
COc1c(Br)cccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000186942760	552402354	/nfs/dbraw/zinc/40/23/54/552402354.db2.gz	LRNUDPBKLOUTCH-CQSZACIVSA-N	2	0	385.346	2.982	10	0		GFAERP
C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O	ZINC000263282360	553185528	/nfs/dbraw/zinc/18/55/28/553185528.db2.gz	UMIKAKOQMOWHRU-MRAWALMUSA-N	2	0	379.298	2.540	10	0		GFAERP
COCC[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1	ZINC000011844493	221132073	/nfs/dbraw/zinc/13/20/73/221132073.db2.gz	BZQIZCOULPVEJG-JOCHJYFZSA-N	2	0	384.520	2.563	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)CC1	ZINC000170941924	551643563	/nfs/dbraw/zinc/64/35/63/551643563.db2.gz	LJBSFVYCWZUXDL-KDOFPFPSSA-N	2	0	385.346	2.507	10	0		GFAERP
CSCC[NH2+]Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1	ZINC000014958343	221321038	/nfs/dbraw/zinc/32/10/38/221321038.db2.gz	HUNRWHZOGRFMOE-OAQYLSRUSA-N	2	0	386.561	2.937	10	0		GFAERP
c1ccc(C[N@@H+]2CC[C@H](Nc3nc(-c4ccccn4)nc4c3CC[NH2+]C4)C2)cc1	ZINC000072128357	222209631	/nfs/dbraw/zinc/20/96/31/222209631.db2.gz	YNIJMORJDXJLQQ-SFHVURJKSA-N	2	0	386.503	2.871	10	0		GFAERP
C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1	ZINC000012457391	221197971	/nfs/dbraw/zinc/19/79/71/221197971.db2.gz	XWKRMLFYVJDHTJ-UHFFFAOYSA-N	2	0	383.540	2.542	10	0		GFAERP
C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H](O)C[NH+]1CCCCC1	ZINC000151250154	551410134	/nfs/dbraw/zinc/41/01/34/551410134.db2.gz	FDGWUOLSJSRFSU-YOEHRIQHSA-N	2	0	398.345	2.603	10	0		GFAERP
C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1	ZINC000151328094	551411575	/nfs/dbraw/zinc/41/15/75/551411575.db2.gz	SAZVQEFIENJASC-WMLDXEAASA-N	2	0	398.345	2.603	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1	ZINC000170941621	551643656	/nfs/dbraw/zinc/64/36/56/551643656.db2.gz	MFGRHQVFXAEQOK-CYBMUJFWSA-N	2	0	399.329	2.702	10	0		GFAERP
O[C@@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[NH+]1CCCCCC1	ZINC000011813526	212077765	/nfs/dbraw/zinc/07/77/65/212077765.db2.gz	AKQALFOBWASOPP-OAQYLSRUSA-N	2	0	386.540	2.679	10	0		GFAERP
C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O	ZINC000263282355	553185261	/nfs/dbraw/zinc/18/52/61/553185261.db2.gz	UMIKAKOQMOWHRU-DWQUBVKVSA-N	2	0	379.298	2.540	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2Br)CC1	ZINC000126664945	654818156	/nfs/dbraw/zinc/81/81/56/654818156.db2.gz	DIFYWBPXXWISKE-HNNXBMFYSA-N	2	0	385.346	2.853	10	0		GFAERP
Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O	ZINC000180093844	655321838	/nfs/dbraw/zinc/32/18/38/655321838.db2.gz	JUNKKXAGYUHMFK-AWEZNQCLSA-N	2	0	385.346	2.988	10	0		GFAERP
C[N@H+](C[C@@H](O)COc1ccccc1C[NH2+]CCc1c[nH]cn1)C1CCCCC1	ZINC000011935574	221138417	/nfs/dbraw/zinc/13/84/17/221138417.db2.gz	GQEITRZCGSXUMW-OAQYLSRUSA-N	2	0	386.540	2.746	10	0		GFAERP
Cc1ccc(C2(C[NH+]3CCN(c4ncccc4Cl)CC3)CC[NH2+]CC2)nc1	ZINC000067894394	222165548	/nfs/dbraw/zinc/16/55/48/222165548.db2.gz	FKCBZSZDQBXXDX-UHFFFAOYSA-N	2	0	385.943	2.882	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2Br)CC1	ZINC000126665166	654818398	/nfs/dbraw/zinc/81/83/98/654818398.db2.gz	DIFYWBPXXWISKE-OAHLLOKOSA-N	2	0	385.346	2.853	10	0		GFAERP
CC[C@H](c1ccc(Br)cc1)N1CCN(Cc2noc(CN)n2)CC1	ZINC000261605796	553154124	/nfs/dbraw/zinc/15/41/24/553154124.db2.gz	BDMGRLXLHZHSNR-OAHLLOKOSA-N	2	0	394.317	2.560	10	0		GFAERP
C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1	ZINC000056523115	654796589	/nfs/dbraw/zinc/79/65/89/654796589.db2.gz	RMDAFKOVGRGGQK-KRWDZBQOSA-N	2	0	385.346	2.853	10	0		GFAERP
O[C@H](COc1cccc(C[NH2+]CCOc2cccnc2)c1)C[NH+]1CCCCCC1	ZINC000012318426	204395245	/nfs/dbraw/zinc/39/52/45/204395245.db2.gz	XTBCYYZGHYEEHG-NRFANRHFSA-N	2	0	399.535	2.866	10	0		GFAERP
CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1cccc(Br)c1	ZINC000246495935	553108498	/nfs/dbraw/zinc/10/84/98/553108498.db2.gz	PQAHCVQTKMTRHS-IXDOHACOSA-N	2	0	383.330	2.747	10	0		GFAERP
C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1	ZINC000056523117	654796531	/nfs/dbraw/zinc/79/65/31/654796531.db2.gz	RMDAFKOVGRGGQK-QGZVFWFLSA-N	2	0	385.346	2.853	10	0		GFAERP
[NH3+]CCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)n1	ZINC000039489982	205042329	/nfs/dbraw/zinc/04/23/29/205042329.db2.gz	DFKOXSIKDWDMKN-OAHLLOKOSA-N	2	0	380.414	2.712	10	0		GFAERP
Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)C[NH+]3CCCCC3)C2)CC1	ZINC000096837535	136187493	/nfs/dbraw/zinc/18/74/93/136187493.db2.gz	LMELBVCCKYIONP-NRFANRHFSA-N	2	0	384.568	2.594	10	0		GFAERP
C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O	ZINC000263282351	553185498	/nfs/dbraw/zinc/18/54/98/553185498.db2.gz	UMIKAKOQMOWHRU-CDHAZOANSA-N	2	0	379.298	2.540	10	0		GFAERP
O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000046149868	570213369	/nfs/dbraw/zinc/21/33/69/570213369.db2.gz	WOJGJRYLRWNOHI-UHFFFAOYSA-N	2	0	378.520	2.863	10	0		GFAERP
Cc1ccc(NC(=O)c2ccc([C@@H](C)N3CC[NH2+]CC3)cc2)cc1NC(N)=[NH2+]	ZINC000098088028	209136086	/nfs/dbraw/zinc/13/60/86/209136086.db2.gz	ZIGGOGOUDRPJTO-OAHLLOKOSA-N	2	0	380.496	2.519	10	0		GFAERP
Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C[NH+]3CCCCC3)C2)CC1	ZINC000096837534	136187541	/nfs/dbraw/zinc/18/75/41/136187541.db2.gz	LMELBVCCKYIONP-OAQYLSRUSA-N	2	0	384.568	2.594	10	0		GFAERP
C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]C2CCOCC2)cc1	ZINC000020785569	207215733	/nfs/dbraw/zinc/21/57/33/207215733.db2.gz	WOXNEAPNLCYWLM-QFIPXVFZSA-N	2	0	384.520	2.827	10	0		GFAERP
COc1cc(C[NH2+]Cc2cccc(F)c2)ccc1OC[C@H](O)C[NH+]1CCCC1	ZINC000012586688	206918579	/nfs/dbraw/zinc/91/85/79/206918579.db2.gz	WFURRSYOLFMFSE-HXUWFJFHSA-N	2	0	388.483	2.960	10	0		GFAERP
Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000178305827	552168477	/nfs/dbraw/zinc/16/84/77/552168477.db2.gz	TXBWXEFXUJWCKA-IRXDYDNUSA-N	2	0	394.313	2.858	10	0		GFAERP
[NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(-c4ccncc4)cc(=O)[nH]3)cc2)C1	ZINC000048284576	570231255	/nfs/dbraw/zinc/23/12/55/570231255.db2.gz	SGWQMYTXVOICLV-KRWDZBQOSA-N	2	0	375.476	2.670	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Br)cc3c2OCC3)CC1	ZINC000153868053	551462112	/nfs/dbraw/zinc/46/21/12/551462112.db2.gz	SLVSOZXIOPNTGP-AWEZNQCLSA-N	2	0	397.357	2.909	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000106126319	655103809	/nfs/dbraw/zinc/10/38/09/655103809.db2.gz	TYFDEVLLMPJYEC-CYBMUJFWSA-N	2	0	388.339	2.957	10	0		GFAERP
C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]C2CCOCC2)cc1	ZINC000020785565	207215113	/nfs/dbraw/zinc/21/51/13/207215113.db2.gz	WOXNEAPNLCYWLM-JOCHJYFZSA-N	2	0	384.520	2.827	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3cc(Br)ccc3[nH]2)CC1	ZINC000184967695	552349640	/nfs/dbraw/zinc/34/96/40/552349640.db2.gz	TZCTYYXVABCTAQ-CYBMUJFWSA-N	2	0	395.345	2.850	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000106126376	655103720	/nfs/dbraw/zinc/10/37/20/655103720.db2.gz	BLNICIXAMQUMRB-CYBMUJFWSA-N	2	0	388.339	2.957	10	0		GFAERP
Cc1c([C@H]2[C@H](C[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC(=O)N2C)cnn1C	ZINC000328630069	206234831	/nfs/dbraw/zinc/23/48/31/206234831.db2.gz	PMBQCQFTMAHGRK-HTAPYJJXSA-N	2	0	387.572	2.635	10	0		GFAERP
C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1	ZINC000151250326	551409953	/nfs/dbraw/zinc/40/99/53/551409953.db2.gz	FDGWUOLSJSRFSU-RHSMWYFYSA-N	2	0	398.345	2.603	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc3cc(Br)ccc3[nH]2)CC1	ZINC000184967679	552349552	/nfs/dbraw/zinc/34/95/52/552349552.db2.gz	TZCTYYXVABCTAQ-ZDUSSCGKSA-N	2	0	395.345	2.850	10	0		GFAERP
C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1	ZINC000151328028	551411375	/nfs/dbraw/zinc/41/13/75/551411375.db2.gz	SAZVQEFIENJASC-PBHICJAKSA-N	2	0	398.345	2.603	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2Br)CC1	ZINC000152945159	551443232	/nfs/dbraw/zinc/44/32/32/551443232.db2.gz	QTMCMFPYLYCDFX-KDOFPFPSSA-N	2	0	385.346	2.507	10	0		GFAERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000106126374	655103830	/nfs/dbraw/zinc/10/38/30/655103830.db2.gz	BLNICIXAMQUMRB-ZDUSSCGKSA-N	2	0	388.339	2.957	10	0		GFAERP
O[C@H](COc1cccc(C[NH2+]CCCn2cccn2)c1)C[NH+]1CCCCCC1	ZINC000011813527	221126015	/nfs/dbraw/zinc/12/60/15/221126015.db2.gz	AKQALFOBWASOPP-NRFANRHFSA-N	2	0	386.540	2.679	10	0		GFAERP
COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br	ZINC000178609776	552173320	/nfs/dbraw/zinc/17/33/20/552173320.db2.gz	IJUSWWDSURQKRP-AWEZNQCLSA-N	2	0	385.346	2.982	10	0		GFAERP
[NH3+]C1(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CCOCC1	ZINC000261910557	553162406	/nfs/dbraw/zinc/16/24/06/553162406.db2.gz	SXPJCXSEDZMJNL-UHFFFAOYSA-N	2	0	386.323	2.582	10	0		GFAERP
CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]([NH3+])COC	ZINC000262280608	553168844	/nfs/dbraw/zinc/16/88/44/553168844.db2.gz	LSBZZVHQTSKZDK-INIZCTEOSA-N	2	0	376.328	2.638	10	0		GFAERP
Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000178305844	552168622	/nfs/dbraw/zinc/16/86/22/552168622.db2.gz	TXBWXEFXUJWCKA-SJORKVTESA-N	2	0	394.313	2.858	10	0		GFAERP
O=S(=O)(N[C@H]1CC[N@@H+](C2CCC2)C1)c1ccc(C[NH2+]C2CCCC2)cc1	ZINC000098178635	211379912	/nfs/dbraw/zinc/37/99/12/211379912.db2.gz	OUSAAZFJEMTFRH-SFHVURJKSA-N	2	0	377.554	2.624	10	0		GFAERP
C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O	ZINC000263282358	553185282	/nfs/dbraw/zinc/18/52/82/553185282.db2.gz	UMIKAKOQMOWHRU-HNJNHCNJSA-N	2	0	379.298	2.540	10	0		GFAERP
Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCCCC3)c2C2CC[NH2+]CC2)cc1	ZINC000006943289	570715561	/nfs/dbraw/zinc/71/55/61/570715561.db2.gz	IOHCVFSWGQXKHY-UHFFFAOYSA-N	2	0	395.551	2.863	10	0		GFAERP
O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1cccc(C[NH+]2CCCCC2)c1	ZINC000072421064	211115737	/nfs/dbraw/zinc/11/57/37/211115737.db2.gz	LDTUTWFWUKRRAL-UHFFFAOYSA-N	2	0	381.524	2.934	10	0		GFAERP
COc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1OC[C@@H](O)C[NH+]1CCCC1	ZINC000011838702	221131376	/nfs/dbraw/zinc/13/13/76/221131376.db2.gz	YJGFOGAMXPXCEU-QFIPXVFZSA-N	2	0	396.531	2.788	10	0		GFAERP
CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc(Br)c2)CC1	ZINC000171940588	551666624	/nfs/dbraw/zinc/66/66/24/551666624.db2.gz	FFFTXIWXHLQHSU-QGZVFWFLSA-N	2	0	385.346	2.995	10	0		GFAERP
COc1ccc(Br)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000121106875	551227494	/nfs/dbraw/zinc/22/74/94/551227494.db2.gz	VVMMORMUNXTXHD-CQSZACIVSA-N	2	0	385.346	2.982	10	0		GFAERP
Cc1ccc(C(=O)N2CCC([NH2+]C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)cc1	ZINC000063884600	222069351	/nfs/dbraw/zinc/06/93/51/222069351.db2.gz	GMRWUDXDYVDPSD-FYYLOGMGSA-N	2	0	385.552	2.569	10	0		GFAERP
O[C@@H](COc1cccc(Br)c1)C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000047972304	551155310	/nfs/dbraw/zinc/15/53/10/551155310.db2.gz	BNCJDFFCCDBNTR-GOSISDBHSA-N	2	0	397.357	2.997	10	0		GFAERP
COc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000182176268	552277666	/nfs/dbraw/zinc/27/76/66/552277666.db2.gz	KNZMFMFKZDKGLG-CQSZACIVSA-N	2	0	385.346	2.982	10	0		GFAERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Br)cc3c2OCC3)CC1	ZINC000153868150	551462265	/nfs/dbraw/zinc/46/22/65/551462265.db2.gz	SLVSOZXIOPNTGP-CQSZACIVSA-N	2	0	397.357	2.909	10	0		GFAERP
COc1ccc(C[NH2+]CCCc2cccnc2)cc1OC[C@H](O)C[NH+]1CCCC1	ZINC000012318487	221181078	/nfs/dbraw/zinc/18/10/78/221181078.db2.gz	YMLNCVYLNUTRNC-OAQYLSRUSA-N	2	0	399.535	2.648	10	0		GFAERP
O[C@H](COc1cccc(Br)c1)C[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000047972307	551155354	/nfs/dbraw/zinc/15/53/54/551155354.db2.gz	BNCJDFFCCDBNTR-SFHVURJKSA-N	2	0	397.357	2.997	10	0		GFAERP
COc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000182176247	552277617	/nfs/dbraw/zinc/27/76/17/552277617.db2.gz	KNZMFMFKZDKGLG-AWEZNQCLSA-N	2	0	385.346	2.982	10	0		GFAERP
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]CCC(C)C)s2)CC1	ZINC000007002086	570737404	/nfs/dbraw/zinc/73/74/04/570737404.db2.gz	FJJWPRDRHWNRMA-UHFFFAOYSA-N	2	0	376.574	2.997	10	0		GFAERP
C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H](O)C[NH+]1CCCCC1	ZINC000151327975	551411291	/nfs/dbraw/zinc/41/12/91/551411291.db2.gz	SAZVQEFIENJASC-YOEHRIQHSA-N	2	0	398.345	2.603	10	0		GFAERP
Cc1nccn1C[C@@H]1CCCN1[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000252802123	553150146	/nfs/dbraw/zinc/15/01/46/553150146.db2.gz	RHOAKWLYLYZYQP-JKSUJKDBSA-N	2	0	377.286	2.645	10	0		GFAERP