smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1	ZINC000013802478	562994344	/nfs/dbraw/zinc/99/43/44/562994344.db2.gz	VBZYBVZLUCGERA-UHFFFAOYSA-N	2	0	485.636	3.936	1	0		JHAFRP
[NH3+][C@H](Cc1ccccc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028392902	563063640	/nfs/dbraw/zinc/06/36/40/563063640.db2.gz	FUCYYFODPAMCPV-XMMPIXPASA-N	2	0	483.081	3.952	1	0		JHAFRP
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2[NH2+]CC[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000029041005	563091567	/nfs/dbraw/zinc/09/15/67/563091567.db2.gz	VKSBNSVCGDHMDL-WTIAFYNJSA-N	2	0	459.009	3.929	1	0		JHAFRP
CCCCC[NH+]1CCC[C@@H](C(=O)N2CCCN(C(=O)[C@H]3CCC[N@@H+](CCCCC)C3)CC2)C1	ZINC000029549313	563106219	/nfs/dbraw/zinc/10/62/19/563106219.db2.gz	WOUFXYLHOFCPIR-PLQXJYEYSA-N	2	0	462.723	3.852	1	0		JHAFRP
Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OCCN1CC[NH2+]CC1	ZINC000045186519	563174088	/nfs/dbraw/zinc/17/40/88/563174088.db2.gz	SWWKZGYTZUWJCW-NRFANRHFSA-N	2	0	491.463	3.590	1	0		JHAFRP
COc1cc[nH+]c(NCCC[NH2+]Cc2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c1	ZINC000045195694	563177485	/nfs/dbraw/zinc/17/74/85/563177485.db2.gz	PRQUKZKWKVAAMI-UHFFFAOYSA-N	2	0	450.564	3.874	1	0		JHAFRP
CCn1c(CN2c3ccc(OC4CCN(C(C)=[NH2+])CC4)cc3OCC2=O)cc2ccc(C(N)=[NH2+])cc21	ZINC000003954910	562930847	/nfs/dbraw/zinc/93/08/47/562930847.db2.gz	YTHGWGKRZLUTAJ-UHFFFAOYSA-N	2	0	488.592	3.711	1	0		JHAFRP
C[N@H+]([C@H](CO)c1ccccc1)C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000013802528	562994455	/nfs/dbraw/zinc/99/44/55/562994455.db2.gz	NMBJRUZFPZJMHR-HHHXNRCGSA-N	2	0	458.610	3.811	1	0		JHAFRP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCC[NH2+]C2)CC1	ZINC000013836726	563001636	/nfs/dbraw/zinc/00/16/36/563001636.db2.gz	CJYHMAQOCUSYCD-DEOSSOPVSA-N	3	0	450.671	3.580	1	0		JHAFRP
O=C(Cc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1	ZINC000019372578	563015015	/nfs/dbraw/zinc/01/50/15/563015015.db2.gz	DTXJINWKFUOOLF-UHFFFAOYSA-N	2	0	455.474	3.536	1	0		JHAFRP
CC[NH+](CC)CC(=O)N(C)c1nc2c(ccc3sc(N(C)C(=O)C[NH+](CC)CC)nc32)s1	ZINC000027180120	563040726	/nfs/dbraw/zinc/04/07/26/563040726.db2.gz	RQFPYLDOCKLDOQ-UHFFFAOYSA-N	2	0	476.672	3.515	1	0		JHAFRP
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2[NH2+]CC[C@H]2c2ccc(Cl)cc2)CC1	ZINC000029041009	563091561	/nfs/dbraw/zinc/09/15/61/563091561.db2.gz	VKSBNSVCGDHMDL-AJSBUHFISA-N	2	0	459.009	3.929	1	0		JHAFRP
CCNC(=O)N(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000034800956	563115467	/nfs/dbraw/zinc/11/54/67/563115467.db2.gz	HXGXZOPMFRVLIW-KJXAQDMKSA-N	2	0	481.685	3.935	1	0		JHAFRP
CCNC(=O)N(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c43)C[C@H]2[N@H+](C)C1	ZINC000034800960	563115501	/nfs/dbraw/zinc/11/55/01/563115501.db2.gz	BNMXUFDTDMYUGI-ZILOHOTNSA-N	2	0	481.685	3.935	1	0		JHAFRP
COc1cc(OCc2ccccc2)ccc1C[NH2+]CCCNC(=O)C1=CC(C)(C)[NH2+]C1(C)C	ZINC000040467029	563144394	/nfs/dbraw/zinc/14/43/94/563144394.db2.gz	CETIVGNLLOMTRZ-UHFFFAOYSA-N	2	0	451.611	3.957	1	0		JHAFRP
CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCC[NH3+])C1CCCCC1	ZINC000013799525	562993737	/nfs/dbraw/zinc/99/37/37/562993737.db2.gz	UWJXWBHXTPJNMN-GVXSCFBNSA-N	2	0	458.691	3.768	1	0		JHAFRP
CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000027521360	563045043	/nfs/dbraw/zinc/04/50/43/563045043.db2.gz	DAMOODMUQPJMGU-DVECYGJZSA-N	2	0	469.564	3.649	1	0		JHAFRP
C[N@@H+]1CCC[C@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1	ZINC000028003892	563054414	/nfs/dbraw/zinc/05/44/14/563054414.db2.gz	UQCMBBXOLPQEEA-BCHFMIIMSA-N	2	0	453.030	3.799	1	0		JHAFRP
c1cc(CN2C=[NH+]CCC2)cc2nc(CCc3nc4cc(CN5C=[NH+]CCC5)ccc4[nH]3)[nH]c12	ZINC000029465898	563104120	/nfs/dbraw/zinc/10/41/20/563104120.db2.gz	WVSVIMTUIJRFKK-UHFFFAOYSA-N	2	0	454.582	3.692	1	0		JHAFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H](CCc1ccccc1)c1nc(C(=O)Nc2ccc3ccccc3c2)co1	ZINC000013587019	562976875	/nfs/dbraw/zinc/97/68/75/562976875.db2.gz	GRNLMJYEOBQTRF-DNQXCXABSA-N	2	0	485.588	3.936	1	0		JHAFRP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]CC2CC[NH2+]CC2)CC1	ZINC000013836722	563001597	/nfs/dbraw/zinc/00/15/97/563001597.db2.gz	VBFVCLOZCOZFGL-UHFFFAOYSA-N	3	0	450.671	3.580	1	0		JHAFRP
[NH3+]CCCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	ZINC000022940209	563019598	/nfs/dbraw/zinc/01/95/98/563019598.db2.gz	WJZOQAFZJJZPCF-UHFFFAOYSA-N	2	0	478.641	3.619	1	0		JHAFRP
CC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000026660375	563032701	/nfs/dbraw/zinc/03/27/01/563032701.db2.gz	FBSWQNVOWUKAHR-CSZVXOJQSA-N	2	0	470.573	3.982	1	0		JHAFRP
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCC[NH2+]CCCCCC[NH3+]	ZINC000035033603	563118346	/nfs/dbraw/zinc/11/83/46/563118346.db2.gz	TVYZNVIXIMXUJQ-VWLOTQADSA-N	2	0	476.706	3.785	1	0		JHAFRP
C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)N(C(=O)CCN1CC[NH+](C)CC1)CC2	ZINC000040953838	563160374	/nfs/dbraw/zinc/16/03/74/563160374.db2.gz	NFCINAUOLPUYFV-MZPAMKPDSA-N	2	0	474.693	3.887	1	0		JHAFRP
CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C[NH3+])cc2)C1=O	ZINC000013555357	562973713	/nfs/dbraw/zinc/97/37/13/562973713.db2.gz	WQMFURGALFXNQV-RUZDIDTESA-N	2	0	470.617	3.904	1	0		JHAFRP
O=C(NCC[NH2+]Cc1ccc2ccccc2c1)c1ccc2nc(NC(=O)C3CC[NH2+]CC3)sc2c1	ZINC000028967661	563089486	/nfs/dbraw/zinc/08/94/86/563089486.db2.gz	ASVTWSZZZGZMOV-UHFFFAOYSA-N	2	0	487.629	3.907	1	0		JHAFRP
CCCN(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)CCC)C3)cc2)C1	ZINC000029548016	563106113	/nfs/dbraw/zinc/10/61/13/563106113.db2.gz	BHTVIRBVEGLEKM-WMPKNSHKSA-N	2	0	470.702	3.847	1	0		JHAFRP
C[n+]1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)cc1	ZINC000040498278	563144735	/nfs/dbraw/zinc/14/47/35/563144735.db2.gz	ILJOIMQMPUWXJK-UHFFFAOYSA-O	2	0	493.547	3.552	1	0		JHAFRP
C[NH+](C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)N(C(=O)CCN1CC[NH+](C)CC1)CC2	ZINC000040953840	563160305	/nfs/dbraw/zinc/16/03/05/563160305.db2.gz	NFCINAUOLPUYFV-KMGQJKACSA-N	2	0	474.693	3.887	1	0		JHAFRP
COc1ccc2ncc(F)c(CC[NH+]3CCC(C[NH2+]Cc4cccc5c4OCO5)CC3)c2n1	ZINC000045202440	563178682	/nfs/dbraw/zinc/17/86/82/563178682.db2.gz	OLSPKRKEDYIPTK-UHFFFAOYSA-N	2	0	452.530	3.551	1	0		JHAFRP
CC[NH+](CC)CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2ccc(C)c(C)c2[nH]c1=O	ZINC000006193088	562937092	/nfs/dbraw/zinc/93/70/92/562937092.db2.gz	OUZJFONXRRAKLG-UHFFFAOYSA-N	2	0	473.731	3.895	1	0		JHAFRP
[NH3+]Cc1ccc(NC(=O)c2cc(NC(=O)c3ccc(C[NH3+])cc3)cn2Cc2ccccc2)cc1	ZINC000027635339	563047735	/nfs/dbraw/zinc/04/77/35/563047735.db2.gz	YBJXKQXDJTVEOM-UHFFFAOYSA-N	2	0	453.546	3.958	1	0		JHAFRP
CCC[NH2+]C[C@H](CC)CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC2CC[NH2+]CC2)c1)OC(C)=O	ZINC000085628449	291508993	/nfs/dbraw/zinc/50/89/93/291508993.db2.gz	ZPCOKAFMTVEPNK-NMVJMZGASA-N	2	0	478.674	3.944	1	0	biogenic,in-vitro	JHAFRP
CC[NH+](CC)CCCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=S)NCCC[NH+](C)C	ZINC000006162579	562936958	/nfs/dbraw/zinc/93/69/58/562936958.db2.gz	BRZSDGFKOADRDH-UHFFFAOYSA-N	2	0	459.704	3.505	1	0		JHAFRP
CCc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006197727	562936999	/nfs/dbraw/zinc/93/69/99/562936999.db2.gz	WVELRXMLROWAKT-UHFFFAOYSA-N	2	0	473.731	3.841	1	0		JHAFRP
O=C([C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccncc3)CCCCC2)CC1	ZINC000028953945	563088100	/nfs/dbraw/zinc/08/81/00/563088100.db2.gz	UKXGHFGXEJAKMA-FTJBHMTQSA-N	2	0	496.099	3.675	1	0		JHAFRP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029048620	563092672	/nfs/dbraw/zinc/09/26/72/563092672.db2.gz	QLHTZJRLRFVVPS-MUHPNKRVSA-N	4	0	476.794	3.888	1	0		JHAFRP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029049125	563092744	/nfs/dbraw/zinc/09/27/44/563092744.db2.gz	NEFGJLSHHZIGIH-MUHPNKRVSA-N	3	0	477.778	3.921	1	0		JHAFRP
CC[NH+](CC)CCNc1ccc2c3c(nn2CC[NH+](CC)CC)-c2ccccc2S(=O)(=O)c31	ZINC000029324243	563100335	/nfs/dbraw/zinc/10/03/35/563100335.db2.gz	VFINBNGTPDUPDX-UHFFFAOYSA-N	2	0	469.655	3.945	1	0		JHAFRP
[NH2+]=C(/C=C/c1ccc(-c2cn3cc(/C=C/C(=[NH2+])N4CCOCC4)ccc3n2)cc1)N1CCOCC1	ZINC000027434439	563044179	/nfs/dbraw/zinc/04/41/79/563044179.db2.gz	IMZJVKIUFRTFGS-LIHDGBMWSA-N	2	0	470.577	3.647	1	0		JHAFRP
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2c2ccc(Cl)cc2)CC1	ZINC000029041011	563091601	/nfs/dbraw/zinc/09/16/01/563091601.db2.gz	VKSBNSVCGDHMDL-VJBMBRPKSA-N	2	0	459.009	3.929	1	0		JHAFRP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029048701	563092705	/nfs/dbraw/zinc/09/27/05/563092705.db2.gz	QLHTZJRLRFVVPS-GGBKSGMNSA-N	4	0	476.794	3.888	1	0		JHAFRP
C[NH+]1CCC(C[NH2+]CCCC[NH2+]CC2CCN(C(=O)Cc3cccc4ccccc43)CC2)CC1	ZINC000013836732	563001615	/nfs/dbraw/zinc/00/16/15/563001615.db2.gz	OVHSIVJGWBFUNV-UHFFFAOYSA-N	3	0	464.698	3.922	1	0		JHAFRP
COc1cc2c(cc1OCc1ccccc1)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C)CC1	ZINC000036382576	563128131	/nfs/dbraw/zinc/12/81/31/563128131.db2.gz	BSZDSEMSNHXVRW-UHFFFAOYSA-N	2	0	490.652	3.865	1	0		JHAFRP
CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)S(C)(=O)=O)cc2)CC1	ZINC000013487637	562967823	/nfs/dbraw/zinc/96/78/23/562967823.db2.gz	STGHZZUKURHQKO-UHFFFAOYSA-N	2	0	493.633	3.930	1	0		JHAFRP
[NH3+]Cc1cccc(C[NH+]2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1	ZINC000013835848	563001458	/nfs/dbraw/zinc/00/14/58/563001458.db2.gz	PQLJILRFRUEHRW-GJZUVCINSA-N	2	0	457.565	3.549	1	0		JHAFRP
[NH3+][C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH2+]CC1	ZINC000022930332	563018215	/nfs/dbraw/zinc/01/82/15/563018215.db2.gz	YNZMVOHVKCATSX-HNNXBMFYSA-N	2	0	466.221	3.552	1	0		JHAFRP
CC(=[NH2+])NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000026667145	563033045	/nfs/dbraw/zinc/03/30/45/563033045.db2.gz	FYTRCVXZEKSFCV-FQYQUSJJSA-N	2	0	484.600	3.659	1	0		JHAFRP
C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705444	563075363	/nfs/dbraw/zinc/07/53/63/563075363.db2.gz	NEFGJLSHHZIGIH-KYKSMWCUSA-N	3	0	477.778	3.921	1	0		JHAFRP
Cc1c2ccccc2sc1C[NH+]1CCc2[nH]c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)c2C1	ZINC000028864152	563083487	/nfs/dbraw/zinc/08/34/87/563083487.db2.gz	RSQLPCDHEBBQIL-UHFFFAOYSA-N	2	0	489.645	3.600	1	0		JHAFRP
CCC[N@H+](CCN1CCN(c2cc[nH+]c3ccccc32)CC1)[C@H]1CCc2nc(N)sc2C1	ZINC000045300632	563185576	/nfs/dbraw/zinc/18/55/76/563185576.db2.gz	ZYOHPRMTOCMZRK-IBGZPJMESA-N	2	0	450.656	3.665	1	0		JHAFRP
O=C(N[C@H]1CC[N@@H+](CCc2ccc(O[C@H]3CC[NH2+]C3)c(F)c2)C1)c1ccc(Cl)c(Cl)c1	ZINC000053022840	563204994	/nfs/dbraw/zinc/20/49/94/563204994.db2.gz	FVQDHBYWSQJULJ-ROUUACIJSA-N	2	0	466.384	3.920	1	0		JHAFRP
CC[C@@H](NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1)[C@@H](Cc1cccc(C(N)=[NH2+])c1)C(=O)OC	ZINC000013443038	562963736	/nfs/dbraw/zinc/96/37/36/562963736.db2.gz	HRFYZCXIKRLPMS-JWQCQUIFSA-N	2	0	472.589	3.637	1	0		JHAFRP
Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(c2ccccc2)c2ccccc2)c(C)cc1C[NH3+]	ZINC000013779035	562991346	/nfs/dbraw/zinc/99/13/46/562991346.db2.gz	GJDJNBSHKVIDLY-XTEPFMGCSA-N	2	0	484.644	3.529	1	0		JHAFRP
CC[NH+](CC)CCn1c(=O)oc(CC[NH+]2CCN(c3ccccc3)CC2)c1-c1ccc(F)cc1	ZINC000026293499	563025834	/nfs/dbraw/zinc/02/58/34/563025834.db2.gz	IQGZVIRZGHNHBK-UHFFFAOYSA-N	2	0	466.601	3.954	1	0		JHAFRP
C[NH2+]C[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](C)O)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O	ZINC000085547404	560072327	/nfs/dbraw/zinc/07/23/27/560072327.db2.gz	HHIIPYLIEWHVRY-UHQUNYLSSA-N	2	0	488.757	3.992	1	0	biogenic,in-vitro	JHAFRP
[NH3+][C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH2+]CC1	ZINC000022930335	563018079	/nfs/dbraw/zinc/01/80/79/563018079.db2.gz	YNZMVOHVKCATSX-OAHLLOKOSA-N	2	0	466.221	3.552	1	0		JHAFRP
Cc1ccccc1C[N@@H+](C)CC1(O)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000027080022	563039032	/nfs/dbraw/zinc/03/90/32/563039032.db2.gz	AOXWFPMGOREYLC-UHFFFAOYSA-N	2	0	472.637	3.949	1	0		JHAFRP
[NH3+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028388966	563063434	/nfs/dbraw/zinc/06/34/34/563063434.db2.gz	IUMSWQHBDRYGAH-DEOSSOPVSA-N	2	0	483.081	3.952	1	0		JHAFRP
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4cc(C)[nH+]c5ccccc54)CC3)C[N@H+](C)[C@@H]1C2	ZINC000028950333	563087017	/nfs/dbraw/zinc/08/70/17/563087017.db2.gz	IVSIANNCOBKAET-AZSVPQILSA-N	2	0	484.644	3.936	1	0		JHAFRP
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@H](NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1)C(C)C	ZINC000013443035	562963738	/nfs/dbraw/zinc/96/37/38/562963738.db2.gz	ZYSXZDUQQWKJAK-CLJLJLNGSA-N	2	0	486.616	3.883	1	0		JHAFRP
[NH3+][C@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC([NH3+])CC1)C(C1CCCCC1)C1CCCCC1	ZINC000013761992	562990282	/nfs/dbraw/zinc/99/02/82/562990282.db2.gz	SYJMIXHRYXUAGD-UGNOZXHESA-N	2	0	460.707	3.715	1	0		JHAFRP
Cc1ccccc1C[NH2+]CC1(O)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000026998033	563038879	/nfs/dbraw/zinc/03/88/79/563038879.db2.gz	NOAJTQIURWLDNA-UHFFFAOYSA-N	2	0	458.610	3.606	1	0		JHAFRP
[NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccccc1	ZINC000027645925	563048310	/nfs/dbraw/zinc/04/83/10/563048310.db2.gz	SLOHJIMGRFUNLE-YIJROUQKSA-N	2	0	494.680	3.528	1	0		JHAFRP
Cc1c(C)c(S(=O)(=O)N(CCCCCC[NH3+])OCCC[NH3+])c(C)c2c1OC(C)(C)CC2	ZINC000001655146	562922702	/nfs/dbraw/zinc/92/27/02/562922702.db2.gz	YNPLYTOVSPVXDX-UHFFFAOYSA-N	2	0	455.665	3.506	1	0		JHAFRP
[NH3+]C1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1	ZINC000022927867	563017975	/nfs/dbraw/zinc/01/79/75/563017975.db2.gz	XKOSPMBTYLWIKX-RUZDIDTESA-N	2	0	479.496	3.761	1	0		JHAFRP
NC(=[NH2+])c1cccc(C(=O)N[C@@H](C(=O)NCC2CCC(C[NH3+])CC2)c2ccc(-c3ccccc3)cc2)c1	ZINC000027756523	563051318	/nfs/dbraw/zinc/05/13/18/563051318.db2.gz	IYWXIPDHUOCHLM-WJLLHHSZSA-N	2	0	497.643	3.990	1	0		JHAFRP
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC[NH2+]CCCCCCCCC[NH3+]	ZINC000035033587	563118355	/nfs/dbraw/zinc/11/83/55/563118355.db2.gz	BWFRMYKVIRGJOT-VWLOTQADSA-N	2	0	476.706	3.785	1	0		JHAFRP
Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C2CC[NH+](C[C@@H](O)COc3ccccc3C)CC2)CC1	ZINC000045188819	563175072	/nfs/dbraw/zinc/17/50/72/563175072.db2.gz	GPDXNGKTIXQJFC-VSGBNLITSA-N	2	0	496.692	3.907	1	0		JHAFRP
CC(=O)c1sc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975173	563090112	/nfs/dbraw/zinc/09/01/12/563090112.db2.gz	YIHKVKMNPOHFTQ-JAXLGGSGSA-N	2	0	487.645	3.848	1	0		JHAFRP
OC[C@@H]([NH2+]CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000013802608	562994555	/nfs/dbraw/zinc/99/45/55/562994555.db2.gz	YPEQXGWOFIAQCB-HHHXNRCGSA-N	2	0	458.610	3.716	1	0		JHAFRP
O=C(C[NH2+]C1CCCC1)Nc1nc2cc3nc(NC(=O)C[NH2+]C4CCCC4)sc3cc2s1	ZINC000027191578	563041093	/nfs/dbraw/zinc/04/10/93/563041093.db2.gz	HYRPCWMYWZNTSC-UHFFFAOYSA-N	2	0	472.640	3.847	1	0		JHAFRP
CC[NH+](CC)CCOC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OCC[NH+](CC)CC)ccc1-2	ZINC000027524206	563045290	/nfs/dbraw/zinc/04/52/90/563045290.db2.gz	DQBLENBRUYCTMH-UHFFFAOYSA-N	2	0	466.578	3.895	1	0		JHAFRP
C[C@@H]([NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)[C@H](O)c1ccccc1	ZINC000027557784	563046512	/nfs/dbraw/zinc/04/65/12/563046512.db2.gz	YXCHIJNCMZCTBW-HRFSGMKKSA-N	2	0	458.610	3.857	1	0		JHAFRP
CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000036216017	563124229	/nfs/dbraw/zinc/12/42/29/563124229.db2.gz	DAMOODMUQPJMGU-YADARESESA-N	2	0	469.564	3.649	1	0		JHAFRP
O=S(=O)(NCC[NH+]1CCCC1)c1ccc(-c2ccccc2C[NH2+]C2Cc3ccccc3C2)cc1	ZINC000045188437	563174848	/nfs/dbraw/zinc/17/48/48/563174848.db2.gz	FCMIPJBLJBDZCL-UHFFFAOYSA-N	2	0	475.658	3.985	1	0		JHAFRP
CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+](C)C)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1	ZINC000058566822	563207396	/nfs/dbraw/zinc/20/73/96/563207396.db2.gz	LXESGNWTRDSHAI-MUJUVEFKSA-N	2	0	474.693	3.790	1	0		JHAFRP
CC[NH+](CC)CC(=O)N(C)c1nc2cc3nc(N(C)C(=O)C[NH+](CC)CC)sc3cc2s1	ZINC000027181440	563040786	/nfs/dbraw/zinc/04/07/86/563040786.db2.gz	JADAKEDQUBIRRF-UHFFFAOYSA-N	2	0	476.672	3.515	1	0		JHAFRP
CN1CCC[C@H]1C[NH2+]CCCC[NH2+]CC1CCN(C(=O)Cc2cccc3ccccc32)CC1	ZINC000028256147	563059170	/nfs/dbraw/zinc/05/91/70/563059170.db2.gz	FUSDORYVCFKZKX-SANMLTNESA-N	2	0	450.671	3.675	1	0		JHAFRP
CO[C@@]1(C(F)(F)F)[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](c3ccc(C(N)=[NH2+])cc3)[C@H]2C(=O)N1Cc1ccc(F)cc1	ZINC000034874867	563117194	/nfs/dbraw/zinc/11/71/94/563117194.db2.gz	LSEPLZUROUWDSS-IUVFILBMSA-N	2	0	490.501	3.809	1	0		JHAFRP
COc1ccc2cc3[n+](cc2c1OCCC[n+]1ccc(N(C)C)cc1)CCc1cc2c(cc1-3)OCO2	ZINC000040979815	563162342	/nfs/dbraw/zinc/16/23/42/563162342.db2.gz	IMRJZRQMCJLACV-UHFFFAOYSA-N	2	0	485.584	3.910	1	0		JHAFRP
Cc1cc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)nc(Nc2ccc(Br)cc2)n1	ZINC000045302851	563186816	/nfs/dbraw/zinc/18/68/16/563186816.db2.gz	VZXKYJBQVWCTKC-UHFFFAOYSA-N	2	0	459.436	3.755	1	0		JHAFRP
C[n+]1ccc(CNC(=O)c2cc3c(cccc3O)n2Cc2cccc(C(N)=[NH2+])c2)c2ccccc21	ZINC000013474304	562966687	/nfs/dbraw/zinc/96/66/87/562966687.db2.gz	AMTBWKFXQOILDC-UHFFFAOYSA-O	2	0	464.549	3.587	1	0		JHAFRP
Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)CC1	ZINC000045188814	563174901	/nfs/dbraw/zinc/17/49/01/563174901.db2.gz	GPDXNGKTIXQJFC-HNRBIFIRSA-N	2	0	496.692	3.907	1	0		JHAFRP
O=S(=O)(NCC[NH+]1CCCC1)c1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1	ZINC000045322825	563188664	/nfs/dbraw/zinc/18/86/64/563188664.db2.gz	HLTGLGLAXGFRAT-UHFFFAOYSA-N	2	0	475.658	3.985	1	0		JHAFRP
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cccc(C[NH+](C)C)c2)cc1	ZINC000013443041	562963755	/nfs/dbraw/zinc/96/37/55/562963755.db2.gz	ZJLGVOCDZQCUOZ-NIYFSFCBSA-N	2	0	486.616	3.849	1	0		JHAFRP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]CCCn2ccnc2)CC1	ZINC000013836735	563001573	/nfs/dbraw/zinc/00/15/73/563001573.db2.gz	DANBHJMFZRIKLE-UHFFFAOYSA-N	2	0	461.654	3.867	1	0		JHAFRP
Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)c(C)cc1C[NH3+]	ZINC000025967989	563020729	/nfs/dbraw/zinc/02/07/29/563020729.db2.gz	GJDJNBSHKVIDLY-XCZPVHLTSA-N	2	0	484.644	3.529	1	0		JHAFRP
CCN(CC)C(=O)[C@@H]1CCC[NH+](CC2CCC(C[N@H+]3CCC[C@H](C(=O)N(CC)CC)C3)CC2)C1	ZINC000029485950	563105595	/nfs/dbraw/zinc/10/55/95/563105595.db2.gz	ZMYFSPSNKUJOBD-TXFWVUOCSA-N	2	0	476.750	3.954	1	0		JHAFRP
COc1cccc(C[NH2+]CCCNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)c1OCc1ccccc1	ZINC000040817969	563148787	/nfs/dbraw/zinc/14/87/87/563148787.db2.gz	MIUMTZVTWXCNMI-UHFFFAOYSA-N	2	0	451.611	3.957	1	0		JHAFRP
COc1ccc2ncc(C)c(CC[NH+]3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1	ZINC000045168442	563173715	/nfs/dbraw/zinc/17/37/15/563173715.db2.gz	QPUROKRENPAUEV-UHFFFAOYSA-N	2	0	477.634	3.788	1	0		JHAFRP
O=S(=O)(NCC[NH+]1CCCC1)c1cccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)c1	ZINC000045195709	563177534	/nfs/dbraw/zinc/17/75/34/563177534.db2.gz	PZNKBGKYKQBBTA-UHFFFAOYSA-N	2	0	475.658	3.985	1	0		JHAFRP
Cc1nc2nc(C(=O)NCC[NH+]3CCCCC3)cn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000058568781	563207515	/nfs/dbraw/zinc/20/75/15/563207515.db2.gz	RTQKTWYQOVSVLC-UHFFFAOYSA-N	2	0	461.397	3.686	1	0		JHAFRP
C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(Br)cc3)C2)cc1	ZINC000003964103	562931157	/nfs/dbraw/zinc/93/11/57/562931157.db2.gz	FBJCHFHVYRMSBS-OAQYLSRUSA-N	2	0	460.416	3.784	1	0		JHAFRP
C[N@@H+]1CCC[C@@H](CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1	ZINC000028003888	563054410	/nfs/dbraw/zinc/05/44/10/563054410.db2.gz	UQCMBBXOLPQEEA-SIBVEZHUSA-N	2	0	453.030	3.799	1	0		JHAFRP
CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1	ZINC000028471339	563065407	/nfs/dbraw/zinc/06/54/07/563065407.db2.gz	OKJCTYIBYIJQGH-BDYUSTAISA-N	2	0	494.680	3.552	1	0		JHAFRP
NC(=[NH2+])NCCC[N@H+](CCCC[NH+](CCC[NH3+])CCCc1ccccc1)CCCc1ccccc1	ZINC000040566038	563145730	/nfs/dbraw/zinc/14/57/30/563145730.db2.gz	HGOGZVABNJIPAA-UHFFFAOYSA-N	4	0	480.745	3.858	1	0		JHAFRP
CC(=[NH2+])NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000003991141	562931648	/nfs/dbraw/zinc/93/16/48/562931648.db2.gz	GCVLEFZELCJDJX-QVDUQQMDSA-N	2	0	498.627	3.702	1	0		JHAFRP
CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000027521363	563045018	/nfs/dbraw/zinc/04/50/18/563045018.db2.gz	DAMOODMUQPJMGU-CYFREDJKSA-N	2	0	469.564	3.649	1	0		JHAFRP
CC(C)(C(=O)NCC[NH3+])c1cn2c(n1)[C@@H](Cc1c[nH]c3ccccc13)[NH+]=C(Cc1ccccc1)C2	ZINC000027858366	563052027	/nfs/dbraw/zinc/05/20/27/563052027.db2.gz	ZDOSUXHHEKOIDO-XMMPIXPASA-N	2	0	468.605	3.698	1	0		JHAFRP
CCC[NH+]1CCC(N2C[C@@H]([NH2+]C3CCCCCC3)C[C@H]2C(=O)NCCc2ccc3c(c2)OCO3)CC1	ZINC000059790607	563209242	/nfs/dbraw/zinc/20/92/42/563209242.db2.gz	KWFVCLAXPJKCJP-AHWVRZQESA-N	2	0	498.712	3.704	1	0		JHAFRP
CC1(C)CCC[N@H+](CC2(O)CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)C1	ZINC000027074810	563038902	/nfs/dbraw/zinc/03/89/02/563038902.db2.gz	MAVFEMPEBAOCIQ-UHFFFAOYSA-N	2	0	450.631	3.630	1	0		JHAFRP
C[NH+](C)CCOc1ccc(-c2oc3ncnc(NCCN4CC[NH2+]CC4)c3c2-c2ccccc2)cc1	ZINC000028879294	563084643	/nfs/dbraw/zinc/08/46/43/563084643.db2.gz	HMYOERVFCVBIDK-UHFFFAOYSA-N	2	0	486.620	3.814	1	0		JHAFRP
CC(C)N(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C)C(C)C)C3)cc2)C1	ZINC000029548004	563106071	/nfs/dbraw/zinc/10/60/71/563106071.db2.gz	MCAMSBPATWUXKO-CLJLJLNGSA-N	2	0	470.702	3.844	1	0		JHAFRP
C[NH+](C)CCN1C(=O)c2cccc3c(N4CC[NH+](C/C=C/c5ccccc5)CC4)ccc(c32)C1=O	ZINC000045254142	563182377	/nfs/dbraw/zinc/18/23/77/563182377.db2.gz	PEALLEYTQKNPPQ-JXMROGBWSA-N	2	0	468.601	3.833	1	0		JHAFRP
COc1ccc(C[NH2+]C2CCCC2)cc1-c1ccc(S(=O)(=O)NCCN2CCCC2)s1	ZINC000045302258	563186192	/nfs/dbraw/zinc/18/61/92/563186192.db2.gz	WCUMAVBKDUPLKV-UHFFFAOYSA-N	2	0	463.669	3.830	1	0		JHAFRP
O=S(=O)(NCC[NH+]1CCCC1)c1ccc(-c2cccc(C[NH2+]C3Cc4ccccc4C3)c2)cc1	ZINC000045322119	563188387	/nfs/dbraw/zinc/18/83/87/563188387.db2.gz	HGDHKVQIZHJTRU-UHFFFAOYSA-N	2	0	475.658	3.985	1	0		JHAFRP
C[N@H+]([C@@H](CO)c1ccccc1)C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000013802530	562994348	/nfs/dbraw/zinc/99/43/48/562994348.db2.gz	NMBJRUZFPZJMHR-MHZLTWQESA-N	2	0	458.610	3.811	1	0		JHAFRP
CNS(=O)(=O)Cc1ccc2[nH]cc(CCC[NH+]3CCC([NH2+][C@H](C)c4ccccc4)CC3)c2c1	ZINC000013802580	562994563	/nfs/dbraw/zinc/99/45/63/562994563.db2.gz	YOVRNMNYANWSRR-HXUWFJFHSA-N	2	0	468.667	3.965	1	0		JHAFRP
CN1CCC[C@@H]1C[NH2+]CCCC[NH2+]CC1CCN(C(=O)Cc2cccc3ccccc32)CC1	ZINC000028256139	563059181	/nfs/dbraw/zinc/05/91/81/563059181.db2.gz	FUSDORYVCFKZKX-AREMUKBSSA-N	2	0	450.671	3.675	1	0		JHAFRP
NC(=[NH2+])c1cccc(C(=O)N[C@H](C(=O)NCC2CCC(C[NH3+])CC2)c2ccc(-c3ccccc3)cc2)c1	ZINC000027756512	563051310	/nfs/dbraw/zinc/05/13/10/563051310.db2.gz	IYWXIPDHUOCHLM-HTLZXYJSSA-N	2	0	497.643	3.990	1	0		JHAFRP
COc1cc2nc(NC3CC[NH+](Cc4ccccc4)CC3)nc(N3CCC[N@H+](C)CC3)c2cc1OC	ZINC000036382573	563128105	/nfs/dbraw/zinc/12/81/05/563128105.db2.gz	YGPXEXQXJDIBDA-UHFFFAOYSA-N	2	0	490.652	3.865	1	0		JHAFRP
[NH3+]CCC[NH2+]CCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccccc1	ZINC000013492680	562969877	/nfs/dbraw/zinc/96/98/77/562969877.db2.gz	SLOHJIMGRFUNLE-QSRNJPNHSA-N	2	0	494.680	3.528	1	0		JHAFRP
C[NH+](C)Cc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000013809255	562995662	/nfs/dbraw/zinc/99/56/62/562995662.db2.gz	SPFMVQVYVXCFJS-FQYQUSJJSA-N	2	0	471.601	3.634	1	0		JHAFRP
Oc1ccc(C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccc(O)cc2)cc1	ZINC000027652406	563048689	/nfs/dbraw/zinc/04/86/89/563048689.db2.gz	BMOQIXMERLLWFP-UHFFFAOYSA-N	4	0	456.675	3.887	1	0		JHAFRP
[NH3+][C@@H](Cc1ccccc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028392894	563063636	/nfs/dbraw/zinc/06/36/36/563063636.db2.gz	FUCYYFODPAMCPV-DEOSSOPVSA-N	2	0	483.081	3.952	1	0		JHAFRP
CCCN(C)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)CCC)C3)cc2)C1	ZINC000040434100	563143799	/nfs/dbraw/zinc/14/37/99/563143799.db2.gz	BHTVIRBVEGLEKM-UIOOFZCWSA-N	2	0	470.702	3.847	1	0		JHAFRP
CN1CC[NH+](CCC(=O)N[C@@H]2CC3([NH+](C)C)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1	ZINC000040955162	563160708	/nfs/dbraw/zinc/16/07/08/563160708.db2.gz	LXESGNWTRDSHAI-FEVPWDCHSA-N	2	0	474.693	3.790	1	0		JHAFRP
Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C2CC[NH+](C[C@H](O)COc3ccccc3C)CC2)CC1	ZINC000045188817	563175052	/nfs/dbraw/zinc/17/50/52/563175052.db2.gz	GPDXNGKTIXQJFC-NSOVKSMOSA-N	2	0	496.692	3.907	1	0		JHAFRP
O=S(=O)(NCC[NH+]1CCCC1)c1cccc(-c2ccccc2C[NH2+]C2Cc3ccccc3C2)c1	ZINC000045190892	563175674	/nfs/dbraw/zinc/17/56/74/563175674.db2.gz	GSAQQDJLWDIAIQ-UHFFFAOYSA-N	2	0	475.658	3.985	1	0		JHAFRP
NC(=[NH2+])c1cccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)c1	ZINC000001490442	562920320	/nfs/dbraw/zinc/92/03/20/562920320.db2.gz	ZBKZQMSDWQOTEJ-UHFFFAOYSA-N	2	0	458.953	3.841	1	0		JHAFRP
[NH3+][C@@H](C(=O)N1CCC[C@H]1C(=O)NCC1CCC([NH3+])CC1)C(C1CCCCC1)C1CCCCC1	ZINC000013761994	562990317	/nfs/dbraw/zinc/99/03/17/562990317.db2.gz	SYJMIXHRYXUAGD-FEROLFGZSA-N	2	0	460.707	3.715	1	0		JHAFRP
CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCC[NH3+])C1CCCCC1	ZINC000013799522	562993811	/nfs/dbraw/zinc/99/38/11/562993811.db2.gz	UWJXWBHXTPJNMN-IEZKXTBUSA-N	2	0	458.691	3.768	1	0		JHAFRP
C[NH+](C)CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5	ZINC000026656597	563032484	/nfs/dbraw/zinc/03/24/84/563032484.db2.gz	JIXBHICTZCSINX-QVDUQQMDSA-N	2	0	485.628	3.677	1	0		JHAFRP
[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1	ZINC000028388972	563063441	/nfs/dbraw/zinc/06/34/41/563063441.db2.gz	IUMSWQHBDRYGAH-XMMPIXPASA-N	2	0	483.081	3.952	1	0		JHAFRP
CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000029041007	563091602	/nfs/dbraw/zinc/09/16/02/563091602.db2.gz	VKSBNSVCGDHMDL-OIBXWCBGSA-N	2	0	459.009	3.929	1	0		JHAFRP
CC(C)N(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)C(C)C)C3)cc2)C1	ZINC000029548009	563106088	/nfs/dbraw/zinc/10/60/88/563106088.db2.gz	MCAMSBPATWUXKO-WMPKNSHKSA-N	2	0	470.702	3.844	1	0		JHAFRP
C[N@H+](Cc1ccccc1)CC1(O)CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1	ZINC000000602342	562918527	/nfs/dbraw/zinc/91/85/27/562918527.db2.gz	GFDGYIWBCUJICP-UHFFFAOYSA-N	2	0	458.610	3.640	1	0		JHAFRP
C[C@@H]([NH2+]C1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)[C@@H](O)c1ccccc1	ZINC000027553271	563046190	/nfs/dbraw/zinc/04/61/90/563046190.db2.gz	YXCHIJNCMZCTBW-NFQMXDRXSA-N	2	0	458.610	3.857	1	0		JHAFRP
CN1c2ccccc2C(c2ccccc2F)=[NH+]C[C@@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12	ZINC000036216014	563124254	/nfs/dbraw/zinc/12/42/54/563124254.db2.gz	DAMOODMUQPJMGU-NTKDMRAZSA-N	2	0	469.564	3.649	1	0		JHAFRP
COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3c[nH]nc3C)cc1SCC[NH+](C)C)[NH2+]C2	ZINC000058569223	563207483	/nfs/dbraw/zinc/20/74/83/563207483.db2.gz	XZMUBCUUJRFNJF-HSZRJFAPSA-N	2	0	465.623	3.700	1	0		JHAFRP
[NH3+]C1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1	ZINC000027561497	563046875	/nfs/dbraw/zinc/04/68/75/563046875.db2.gz	XKOSPMBTYLWIKX-VWLOTQADSA-N	2	0	479.496	3.761	1	0		JHAFRP
CC(C)(C(=O)NCC[NH3+])c1cn2c(n1)[C@H](Cc1c[nH]c3ccccc13)[NH+]=C(Cc1ccccc1)C2	ZINC000027858359	563052038	/nfs/dbraw/zinc/05/20/38/563052038.db2.gz	ZDOSUXHHEKOIDO-DEOSSOPVSA-N	2	0	468.605	3.698	1	0		JHAFRP
CCCN(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C)CCC)C3)cc2)C1	ZINC000029548013	563106081	/nfs/dbraw/zinc/10/60/81/563106081.db2.gz	BHTVIRBVEGLEKM-CLJLJLNGSA-N	2	0	470.702	3.847	1	0		JHAFRP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]C[C@H]2CCCCN2)CC1	ZINC000038167547	563133039	/nfs/dbraw/zinc/13/30/39/563133039.db2.gz	VHYIHTASZAJAPP-AREMUKBSSA-N	2	0	450.671	3.722	1	0		JHAFRP
CC(C)N(C)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)C(C)C)C3)cc2)C1	ZINC000040434011	563143832	/nfs/dbraw/zinc/14/38/32/563143832.db2.gz	MCAMSBPATWUXKO-UIOOFZCWSA-N	2	0	470.702	3.844	1	0		JHAFRP
Cc1[nH]nc2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(OCC5CC[NH2+]CC5)c4)c3)cc12	ZINC000045298615	563185168	/nfs/dbraw/zinc/18/51/68/563185168.db2.gz	LZQPXZCXKSEHPG-QFIPXVFZSA-N	2	0	472.593	3.656	1	0		JHAFRP
CCN(CC)C(=O)[C@@H]1CCC[NH+](CC2CCC(C[N@H+]3CCC[C@@H](C(=O)N(CC)CC)C3)CC2)C1	ZINC000029485947	563105610	/nfs/dbraw/zinc/10/56/10/563105610.db2.gz	ZMYFSPSNKUJOBD-CVQXOBEKSA-N	2	0	476.750	3.954	1	0		JHAFRP
CCN(CC)C(=O)[C@H]1CCC[NH+](CC2CCC(C[N@H+]3CCC[C@H](C(=O)N(CC)CC)C3)CC2)C1	ZINC000038911428	563135706	/nfs/dbraw/zinc/13/57/06/563135706.db2.gz	ZMYFSPSNKUJOBD-HDLCADABSA-N	2	0	476.750	3.954	1	0		JHAFRP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]C[C@H]2CCC[NH2+]C2)CC1	ZINC000013836727	563001588	/nfs/dbraw/zinc/00/15/88/563001588.db2.gz	CJYHMAQOCUSYCD-XMMPIXPASA-N	3	0	450.671	3.580	1	0		JHAFRP
COc1ccc2cc3[n+](cc2c1OCCC[n+]1cccc(F)c1)CCc1cc2c(cc1-3)OCO2	ZINC000040976712	563162187	/nfs/dbraw/zinc/16/21/87/563162187.db2.gz	IKUZEFPPYXZIAX-UHFFFAOYSA-N	2	0	460.505	3.983	1	0		JHAFRP
Cc1cc(N)[nH+]c(C)c1CNC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C(C1CCCCC1)C1CCCCC1	ZINC000003831708	562929527	/nfs/dbraw/zinc/92/95/27/562929527.db2.gz	ZPHJYZGQZKAQSF-JYFHCDHNSA-N	2	0	483.701	3.992	1	0		JHAFRP
CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1	ZINC000013802476	562994429	/nfs/dbraw/zinc/99/44/29/562994429.db2.gz	NFOHZLIXUIWTDY-UHFFFAOYSA-N	2	0	471.609	3.894	1	0		JHAFRP
[NH3+]CCCN1CC[NH+](CCCN(Cc2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1	ZINC000028826272	563082438	/nfs/dbraw/zinc/08/24/38/563082438.db2.gz	OXRIVEVBBIWWPP-UHFFFAOYSA-N	2	0	475.681	3.876	1	0		JHAFRP
CC(=O)c1sc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C	ZINC000028975182	563090065	/nfs/dbraw/zinc/09/00/65/563090065.db2.gz	MYZPVKYKKLUOPV-JAXLGGSGSA-N	2	0	487.645	3.848	1	0		JHAFRP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCCCN2)CC1	ZINC000038167546	563133022	/nfs/dbraw/zinc/13/30/22/563133022.db2.gz	VHYIHTASZAJAPP-SANMLTNESA-N	2	0	450.671	3.722	1	0		JHAFRP
OC[C@H]([NH2+]CC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1	ZINC000013802610	562994482	/nfs/dbraw/zinc/99/44/82/562994482.db2.gz	YPEQXGWOFIAQCB-MHZLTWQESA-N	2	0	458.610	3.716	1	0		JHAFRP
C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Br)cc3)C2)cc1	ZINC000028476111	563065876	/nfs/dbraw/zinc/06/58/76/563065876.db2.gz	FBJCHFHVYRMSBS-NRFANRHFSA-N	2	0	460.416	3.784	1	0		JHAFRP
CCCCC[NH+]1CCC[C@@H](C(=O)N2CCCN(C(=O)[C@@H]3CCC[N@@H+](CCCCC)C3)CC2)C1	ZINC000029549309	563106195	/nfs/dbraw/zinc/10/61/95/563106195.db2.gz	WOUFXYLHOFCPIR-JWQCQUIFSA-N	2	0	462.723	3.852	1	0		JHAFRP