smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)Nc2ccc3[nH+]ccc(N4CC[NH2+]CC4)c3c2)c(C)cc1Cl	ZINC000003940345	132268435	/nfs/dbraw/zinc/26/84/35/132268435.db2.gz	BIQZWHBNCLKOFX-UHFFFAOYSA-N	2	0	430.961	3.715	1	0		IHAFRP
C[NH+]1CCC2(CC1)Nc1nc(SCc3ccc(Cl)cc3)nn1C1=C2C[N@H+](C)CC1	ZINC000002647891	562929265	/nfs/dbraw/zinc/92/92/65/562929265.db2.gz	KXBCVGCYEHSXCS-UHFFFAOYSA-N	2	0	431.009	3.660	3	0		IHAFRP
CC(C)C[NH+](CCCN1CC[NH+](CCCNc2nc3ccccc3[nH]2)CC1)CC(C)C	ZINC000027209228	563041003	/nfs/dbraw/zinc/04/10/03/563041003.db2.gz	KLKKWCPJBTXWOV-UHFFFAOYSA-N	2	0	428.669	3.987	1	0		IHAFRP
CN(C(=O)[C@@H]([NH3+])CCc1ccccc1)[C@@H](CCC[NH3+])CSc1nc2ccccc2s1	ZINC000026665157	563035186	/nfs/dbraw/zinc/03/51/86/563035186.db2.gz	RRYBSPLWNMYZKQ-OALUTQOASA-N	2	0	442.654	3.914	1	0		IHAFRP
CC(C)NC(=[NH2+])c1cc(OCCCCCOc2ccnc(C(=[NH2+])NC(C)C)c2)ccn1	ZINC000043072651	563118172	/nfs/dbraw/zinc/11/81/72/563118172.db2.gz	LJUDICUZYPUJMD-UHFFFAOYSA-N	2	0	426.565	3.751	1	0		IHAFRP
C[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)[NH2+]CC1CCC(C)CC1	ZINC000045285647	563128197	/nfs/dbraw/zinc/12/81/97/563128197.db2.gz	NCDDGJXXXGZHCT-JBSJSSKOSA-N	2	0	439.644	3.845	1	0		IHAFRP
C[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)[NH2+]CC1CCCCCC1	ZINC000045290816	563128755	/nfs/dbraw/zinc/12/87/55/563128755.db2.gz	NMCGYKVAVOLUJZ-DQEYMECFSA-N	2	0	439.644	3.989	1	0		IHAFRP
CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH3+])CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1	ZINC000028953549	563069996	/nfs/dbraw/zinc/06/99/96/563069996.db2.gz	VEKHFXMIYYNWRJ-PKTZIBPZSA-N	2	0	447.067	3.570	1	0		IHAFRP
C[NH+](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@]12C	ZINC000066058940	563156898	/nfs/dbraw/zinc/15/68/98/563156898.db2.gz	PXMQEGMGWBPMEL-KPTPBVCVSA-N	2	0	444.660	3.572	1	0		IHAFRP
CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)cc3)cc2C1	ZINC000096284382	563197271	/nfs/dbraw/zinc/19/72/71/563197271.db2.gz	OBWFOTDCVMCZMZ-RUZDIDTESA-N	2	0	446.595	3.879	1	0		IHAFRP
C[NH+](C)CCSc1nccc(-c2ccc(-c3ccnc(SCC[NH+](C)C)n3)s2)n1	ZINC000001616771	562923169	/nfs/dbraw/zinc/92/31/69/562923169.db2.gz	SGZRZEWIBATVCM-UHFFFAOYSA-N	2	0	446.671	3.970	1	0		IHAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000003823293	562938873	/nfs/dbraw/zinc/93/88/73/562938873.db2.gz	YFQBFBATCINSHI-LEWJYISDSA-N	2	0	431.473	3.742	1	0		IHAFRP
CCCC[C@@H](C[NH2+]C)NC[C@H](Cc1ccc(O)cc1)[NH2+]CCc1ccc(OCC)cc1	ZINC000022938876	563026701	/nfs/dbraw/zinc/02/67/01/563026701.db2.gz	UKJJBOIZPUYFDB-ZEQRLZLVSA-N	2	0	427.633	3.902	3	0		IHAFRP
Cc1c(CCO)sc[n+]1CCCCCCCCCC[n+]1csc(CCO)c1C	ZINC000028522060	563056017	/nfs/dbraw/zinc/05/60/17/563056017.db2.gz	WDZAIICOYAXNGT-UHFFFAOYSA-N	2	0	426.692	3.892	1	0		IHAFRP
C[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)[NH2+]CCC1CCCC1	ZINC000045290284	563128728	/nfs/dbraw/zinc/12/87/28/563128728.db2.gz	HEQXWHBUIGRMGN-ZEQRLZLVSA-N	2	0	425.617	3.599	1	0		IHAFRP
C[NH+]1CCN(c2nc3ccccc3n2C2CC[NH+](C3(CO)CCCCCCC3)CC2)CC1	ZINC000066101138	563158247	/nfs/dbraw/zinc/15/82/47/563158247.db2.gz	KKZDLJLLJLHPRT-UHFFFAOYSA-N	2	0	439.648	3.900	1	0		IHAFRP
CCC[NH2+]CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH2+]CCC)ccc1-2	ZINC000096938032	563199715	/nfs/dbraw/zinc/19/97/15/563199715.db2.gz	WZERVYYUBGBKQE-UHFFFAOYSA-N	2	0	436.556	3.554	1	0		IHAFRP
CC[NH+](CC)CCCCC1CC[NH+](CC(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)CC1	ZINC000005807582	562944691	/nfs/dbraw/zinc/94/46/91/562944691.db2.gz	JVGJXYDMHHAVDU-HXUWFJFHSA-N	2	0	428.621	3.832	1	0		IHAFRP
COc1ccc(CN2C(=O)[C@@H]3[C@H](c4ccc(C(N)=[NH2+])cc4)[N@H+]4CCC[C@H]4[C@@H]3[C@H]2C(C)C)cc1	ZINC000016051886	563020782	/nfs/dbraw/zinc/02/07/82/563020782.db2.gz	XETNTDPUFDNJKX-BDUWWWMKSA-N	2	0	446.595	3.798	1	0	in-vitro	IHAFRP
O=C(N[C@H]1CC[N@H+](CCc2ccc(O[C@H]3CC[NH2+]C3)cc2)C1)c1ccc(Cl)c(Cl)c1	ZINC000045195412	563124417	/nfs/dbraw/zinc/12/44/17/563124417.db2.gz	XRAQQNYURCYEBT-ICSRJNTNSA-N	2	0	448.394	3.781	1	0		IHAFRP
COc1ccccc1N1CC[NH+](Cc2cc(CN3CC[NH+](C)CC3)c3cccccc2-3)CC1	ZINC000095560964	563182315	/nfs/dbraw/zinc/18/23/15/563182315.db2.gz	PLYQWXWXIUOYQJ-UHFFFAOYSA-N	2	0	444.623	3.870	1	0		IHAFRP
Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(OCCC[NH+](C)C)cc3)C2)ccc1Cl	ZINC000028474996	563055744	/nfs/dbraw/zinc/05/57/44/563055744.db2.gz	DNIACSKOVXUBCP-NRFANRHFSA-N	2	0	429.992	3.983	1	0		IHAFRP
O=C(Nc1ccc2cnn(CC[NH+]3CCCC3)c2c1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000028524190	563056437	/nfs/dbraw/zinc/05/64/37/563056437.db2.gz	RJVGRCGIEZTCEH-UHFFFAOYSA-N	2	0	446.599	3.918	1	0		IHAFRP
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCCN1CC[NH+](C)CC1	ZINC000096938985	563199915	/nfs/dbraw/zinc/19/99/15/563199915.db2.gz	URDSNEREAIMUJJ-UHFFFAOYSA-N	2	0	439.554	3.853	1	0		IHAFRP
CNC(=[NH2+])c1ccc(NC(=[NH2+])c2ccc(NC(=[NH2+])c3ccc(C(=[NH2+])NC)cc3)cc2)cc1	ZINC000017353894	563021901	/nfs/dbraw/zinc/02/19/01/563021901.db2.gz	QJLHNRAQNJMUCT-UHFFFAOYSA-N	4	0	426.528	3.651	1	0		IHAFRP
O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c2ccccc21	ZINC000073219335	563170396	/nfs/dbraw/zinc/17/03/96/563170396.db2.gz	VCFBUZYRXPVGQV-QYBDOPJKSA-N	2	0	432.543	3.911	1	0		IHAFRP
CCCn1c2nc(N3CC[NH+](C)CC3)ccc2nc1-c1ccc(OCCC[NH+](C)C)cc1	ZINC000095583098	563188188	/nfs/dbraw/zinc/18/81/88/563188188.db2.gz	KAYWGAARONMMLJ-UHFFFAOYSA-N	2	0	436.604	3.591	1	0		IHAFRP
CC(C)[C@@H]1[C@H]2[C@@H]3CCC[N@@H+]3[C@@H](c3ccc(C(N)=[NH2+])cc3)[C@H]2C(=O)N1Cc1ccc(F)cc1	ZINC000096941633	563200325	/nfs/dbraw/zinc/20/03/25/563200325.db2.gz	TUXQJCGZSSXZQA-NLPWIYRPSA-N	2	0	434.559	3.928	1	0		IHAFRP
NC(=[NH2+])c1ccc(OCCCC2CC[NH+](CCCOc3ccc(C(N)=[NH2+])cc3)CC2)cc1	ZINC000003986719	562940434	/nfs/dbraw/zinc/94/04/34/562940434.db2.gz	KUNDLEJVAIBADY-UHFFFAOYSA-N	3	0	437.588	3.595	1	0	investigational	IHAFRP
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2	ZINC000040972866	563114968	/nfs/dbraw/zinc/11/49/68/563114968.db2.gz	IAWFZVSZFNIINF-NRFANRHFSA-N	2	0	427.552	3.693	1	0		IHAFRP
O=C1OC2(CN1CC[NH2+]Cc1ccccc1)CC[NH+](Cc1cccc(-c3ncc[nH]3)c1)CC2	ZINC000045302022	563129374	/nfs/dbraw/zinc/12/93/74/563129374.db2.gz	FMEKXBMQNNYAMQ-UHFFFAOYSA-N	2	0	445.567	3.653	1	0		IHAFRP
CC[NH+](CC)CCCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1	ZINC000005807584	562944673	/nfs/dbraw/zinc/94/46/73/562944673.db2.gz	DYRURHSQYPSIJP-HXUWFJFHSA-N	2	0	428.621	3.974	1	0		IHAFRP
[NH3+]CCNCc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1	ZINC000022042867	563025432	/nfs/dbraw/zinc/02/54/32/563025432.db2.gz	OYVHRNFNKKWIBV-UHFFFAOYSA-N	2	0	432.399	3.907	1	0		IHAFRP
c1ccc(COc2ccc(C3=[NH+]CCN3)cc2)c(COc2ccc(C3=[NH+]CCN3)cc2)c1	ZINC000043069985	563118021	/nfs/dbraw/zinc/11/80/21/563118021.db2.gz	UCRKHWPIIFLZRQ-UHFFFAOYSA-N	2	0	426.520	3.544	1	0		IHAFRP
CCOc1ccc2cc(-c3nn(C4CC[NH+](CCC[NH3+])CC4)c4ncnc(N)c34)ccc2c1	ZINC000084687738	563175880	/nfs/dbraw/zinc/17/58/80/563175880.db2.gz	UAAQWLWCHSPTEB-UHFFFAOYSA-N	2	0	445.571	3.613	1	0		IHAFRP
[NH3+]CCCOCC[NH+](CCOCCC[NH3+])CCOC1CCCCCCCCCCC1	ZINC000028246678	563052101	/nfs/dbraw/zinc/05/21/01/563052101.db2.gz	NEXYOPWLZOGBNZ-UHFFFAOYSA-N	3	0	429.690	3.709	1	0		IHAFRP
NC(=[NH2+])c1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000049035143	563136187	/nfs/dbraw/zinc/13/61/87/563136187.db2.gz	ZZGKVUPVPHYWMI-UHFFFAOYSA-N	2	0	436.560	3.953	1	0		IHAFRP
NC(=[NH2+])c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](CCF)[C@H]3[C@@H]3CCC[N@H+]23)cc1	ZINC000096941639	563200283	/nfs/dbraw/zinc/20/02/83/563200283.db2.gz	GDBJMSYBFCDSOT-NQQQLTFYSA-N	2	0	438.522	3.632	1	0		IHAFRP
COc1ccc2cc3[n+](c4ccn(CCC[NH+](C)C)c1c24)CCc1cc2c(cc1-3)OCO2	ZINC000071342001	563162674	/nfs/dbraw/zinc/16/26/74/563162674.db2.gz	FECMOACOKWDEJR-UHFFFAOYSA-N	2	0	430.528	3.994	1	0		IHAFRP
CCOC(=O)[C@H](Cc1ccc2cc(C(N)=[NH2+])ccc2c1)c1ccc(O[C@H]2CC[NH2+]C2)cc1	ZINC000013735902	563002316	/nfs/dbraw/zinc/00/23/16/563002316.db2.gz	VWENWTAMDZAVEI-BJKOFHAPSA-N	2	0	431.536	3.754	1	0		IHAFRP
CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]2CCO)CC1	ZINC000020451339	563024986	/nfs/dbraw/zinc/02/49/86/563024986.db2.gz	LDEVHCPXQKLGFW-SANMLTNESA-N	2	0	433.640	3.999	1	0		IHAFRP
CCC[N@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2nc(N)sc2C1	ZINC000040880528	563109755	/nfs/dbraw/zinc/10/97/55/563109755.db2.gz	AHNMVVBJGPOWFW-OAQYLSRUSA-N	2	0	427.662	3.897	1	0	in-vivo	IHAFRP
C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)nc(NCc2ccc(F)cc2)[nH+]1	ZINC000073200516	563170321	/nfs/dbraw/zinc/17/03/21/563170321.db2.gz	ZOJBIQIDWSBSBO-UHFFFAOYSA-N	2	0	427.503	3.738	1	0		IHAFRP
c1cc(COc2ccc(C3=[NH+]CCN3)cc2)ccc1COc1ccc(C2=[NH+]CCN2)cc1	ZINC000038397028	563097576	/nfs/dbraw/zinc/09/75/76/563097576.db2.gz	CNVVHCGYQNGXGU-UHFFFAOYSA-N	2	0	426.520	3.544	1	0		IHAFRP
COc1ccc2[nH+]ccc(N3CCC(CC[NH2+]Cc4cc5c(cn4)OCCO5)CC3)c2c1	ZINC000045189801	563123374	/nfs/dbraw/zinc/12/33/74/563123374.db2.gz	DQXFEOPHSXMBCV-UHFFFAOYSA-N	2	0	434.540	3.806	1	0		IHAFRP
CSc1ccc(-n2cc(C[NH2+]CCN3CC[NH+](C)CC3)c(-c3ccccc3C)n2)cc1	ZINC000096938567	563199796	/nfs/dbraw/zinc/19/97/96/563199796.db2.gz	WXDRSMUDGOGTDJ-UHFFFAOYSA-N	2	0	435.641	3.907	1	0		IHAFRP
CC(C)NC(=[NH2+])c1ccc2[nH]c(CCc3nc4cc(C(=[NH2+])NC(C)C)ccc4[nH]3)nc2c1	ZINC000029462454	563080178	/nfs/dbraw/zinc/08/01/78/563080178.db2.gz	QPGBMLPFBMIDMS-UHFFFAOYSA-N	2	0	430.560	3.871	1	0		IHAFRP
O=C1c2cc(O[C@H]3C[NH+]4CCC3CC4)ccc2-c2ccc(O[C@H]3C[NH+]4CCC3CC4)cc21	ZINC000034422515	563086267	/nfs/dbraw/zinc/08/62/67/563086267.db2.gz	APEMGXJASZBCBS-UIOOFZCWSA-N	2	0	430.548	3.844	1	0		IHAFRP
CN(C[C@H](Cc1ccc(O)cc1)[NH+](C)C)[C@H](C[NH2+]Cc1ccccc1)Cc1ccc(O)cc1	ZINC000036216274	563092027	/nfs/dbraw/zinc/09/20/27/563092027.db2.gz	MJDQOGYOQPSRQW-UIOOFZCWSA-N	2	0	447.623	3.903	1	0		IHAFRP
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCC[NH+]2CCCCC2)CC1	ZINC000043060621	563117648	/nfs/dbraw/zinc/11/76/48/563117648.db2.gz	ZHRNMDMNBHTWSQ-UHFFFAOYSA-N	2	0	437.028	3.781	1	0		IHAFRP
CC[NH+](CC)CCNc1nc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc2ccccc21	ZINC000053045177	563140933	/nfs/dbraw/zinc/14/09/33/563140933.db2.gz	PMOMAHUKCFRJPR-UHFFFAOYSA-N	2	0	433.604	3.879	1	0		IHAFRP
[NH3+]Cc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c(C[NH3+])c1	ZINC000066102066	563158451	/nfs/dbraw/zinc/15/84/51/563158451.db2.gz	MAJZBHXGPRNRPK-DEOSSOPVSA-N	2	0	426.568	3.955	1	0		IHAFRP
C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[N@H+](CCN1CC[NH+](C)CC1)CC2	ZINC000073198842	563170100	/nfs/dbraw/zinc/17/01/00/563170100.db2.gz	BUVBJYNPGBWJPU-QEYWNGHMSA-N	3	0	446.683	3.970	1	0		IHAFRP
O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c2ccccc21	ZINC000082157920	563173793	/nfs/dbraw/zinc/17/37/93/563173793.db2.gz	VCFBUZYRXPVGQV-WXTAPIANSA-N	2	0	432.543	3.911	1	0		IHAFRP
CCC[N@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1	ZINC000040880532	563109782	/nfs/dbraw/zinc/10/97/82/563109782.db2.gz	AHNMVVBJGPOWFW-NRFANRHFSA-N	2	0	427.662	3.897	1	0	in-vivo	IHAFRP
CC[NH+](CC)CC(=O)Nc1ccccc1-c1nc2ccccc2c(NCCC[NH+](C)C)n1	ZINC000096908893	563197675	/nfs/dbraw/zinc/19/76/75/563197675.db2.gz	ZOGSUTXEUGMUPV-UHFFFAOYSA-N	2	0	434.588	3.941	1	0		IHAFRP
Cc1cccc2c1cc(C(=O)OCc1cccc(C(N)=[NH2+])c1)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000004631085	562943399	/nfs/dbraw/zinc/94/33/99/562943399.db2.gz	BKMPNKBWORCDEJ-UHFFFAOYSA-N	2	0	439.519	3.923	1	0		IHAFRP
CCC(=O)N(CCCCCCCCNC(N)=[NH2+])C1CC[NH+](CCc2ccccc2)CC1	ZINC000013588988	562996055	/nfs/dbraw/zinc/99/60/55/562996055.db2.gz	ZZQJYQGXZYPGPW-UHFFFAOYSA-N	2	0	429.653	3.756	1	0		IHAFRP
COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCCN4CC[NH+](C5CC5)CC4)ccc32)cc1	ZINC000028818120	563064777	/nfs/dbraw/zinc/06/47/77/563064777.db2.gz	UESRDXOTUAFPQL-HHHXNRCGSA-N	2	0	435.612	3.821	1	0		IHAFRP
C[NH+]1CCN(CC[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2Cl)CC1	ZINC000096938559	563199846	/nfs/dbraw/zinc/19/98/46/563199846.db2.gz	ULMVRDRRQRUUND-UHFFFAOYSA-N	2	0	445.945	3.808	1	0		IHAFRP
O=S(=O)(Nc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1)c1cc(Cl)cc(Cl)c1	ZINC000003940342	132268454	/nfs/dbraw/zinc/26/84/54/132268454.db2.gz	JEYNHUJGOUZJRS-UHFFFAOYSA-N	2	0	437.352	3.752	1	0		IHAFRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000013907518	563013934	/nfs/dbraw/zinc/01/39/34/563013934.db2.gz	YFQBFBATCINSHI-SFTDATJTSA-N	2	0	431.473	3.742	1	0		IHAFRP
Cc1ccc(CNC(=O)[C@H](CCC[NH3+])Nc2cc(C)[nH+]c(NCC3CCCCC3)n2)cc1	ZINC000045302292	563129495	/nfs/dbraw/zinc/12/94/95/563129495.db2.gz	CIQGETKTCDBNGU-QFIPXVFZSA-N	2	0	438.620	3.921	1	0		IHAFRP
COc1ccc2cc3[n+](cc2c1OCC[NH+]1CCCCC1)CCc1cc2c(cc1-3)OCO2	ZINC000064528339	563154781	/nfs/dbraw/zinc/15/47/81/563154781.db2.gz	QIQHCIMAWQVIAP-UHFFFAOYSA-N	2	0	433.528	3.952	1	0		IHAFRP
c1cc(C2=[NH+]CCN2)ccc1-c1sc(-c2ccc(C3=[NH+]CCN3)cc2)c2c1OCCO2	ZINC000066075674	563157497	/nfs/dbraw/zinc/15/74/97/563157497.db2.gz	VTJHSABXCRRJQJ-UHFFFAOYSA-N	2	0	430.533	3.553	1	0		IHAFRP
CCOC(=O)[C@@H](Cc1ccc2ccc(C(N)=[NH2+])cc2c1)c1ccc(O[C@H]2CC[NH2+]C2)cc1	ZINC000013735905	563002346	/nfs/dbraw/zinc/00/23/46/563002346.db2.gz	VZKCASWHKFZIEV-ZEQRLZLVSA-N	2	0	431.536	3.754	1	0		IHAFRP
C[NH+](C)CCCNc1ncc(C(=O)NCCc2ccccc2)c(NCC2CCCCC2)n1	ZINC000045302495	563129479	/nfs/dbraw/zinc/12/94/79/563129479.db2.gz	CZNUVBYEFCCEDA-UHFFFAOYSA-N	2	0	438.620	3.805	1	0		IHAFRP
CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)cc2C1	ZINC000096284384	563197261	/nfs/dbraw/zinc/19/72/61/563197261.db2.gz	WLYODYRGAADTOM-UHFFFAOYSA-N	2	0	446.595	3.975	1	0		IHAFRP
CCC[NH+]1CCC(N2C[C@@H]([NH2+]CCC3=C(C)CCCC3(C)C)C[C@H]2C(=O)NCC)CC1	ZINC000019741337	563022835	/nfs/dbraw/zinc/02/28/35/563022835.db2.gz	ODYWEQOZUMIGKE-URXFXBBRSA-N	2	0	432.697	3.946	1	0		IHAFRP
c1ccc(C[NH2+]Cc2ccc(CC3CC[NH2+]CCc4cccc(n4)CC[NH2+]CC3)cc2)nc1	ZINC000034012958	563085327	/nfs/dbraw/zinc/08/53/27/563085327.db2.gz	RXEILOHDOXOJEK-UHFFFAOYSA-N	3	0	443.639	3.683	1	0		IHAFRP
C[NH+](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(OC[C@@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@@]21C	ZINC000066058941	563156912	/nfs/dbraw/zinc/15/69/12/563156912.db2.gz	PXMQEGMGWBPMEL-UNWQCKKISA-N	2	0	444.660	3.572	1	0		IHAFRP
[NH3+]CCCC[NH2+]CCC[NH2+]CCCCNC(=O)N1c2ccccc2CCc2ccccc21	ZINC000028705559	563061981	/nfs/dbraw/zinc/06/19/81/563061981.db2.gz	NATNDQJDDLKNDS-UHFFFAOYSA-N	3	0	437.632	3.721	1	0		IHAFRP
[NH2+]=C(NC1CCC1)c1ccc(N2CCN(c3ccc(C(=[NH2+])NC4CCC4)cc3)CC2)cc1	ZINC000028972423	563071239	/nfs/dbraw/zinc/07/12/39/563071239.db2.gz	DRYKAZJSIVXZPR-UHFFFAOYSA-N	2	0	430.600	3.948	1	0		IHAFRP
C[NH2+]C[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)C[C@H](Cc1ccc(O)cc1)[NH2+]C	ZINC000036216334	563092095	/nfs/dbraw/zinc/09/20/95/563092095.db2.gz	CBQDJCWRXKZKCZ-DQEYMECFSA-N	2	0	433.596	3.561	1	0		IHAFRP
c1cc(OCc2ccc(COc3cccc(C4=[NH+]CCN4)c3)cc2)cc(C2=[NH+]CCN2)c1	ZINC000043065300	563117803	/nfs/dbraw/zinc/11/78/03/563117803.db2.gz	ATCRVBZPWNRIPR-UHFFFAOYSA-N	2	0	426.520	3.544	1	0		IHAFRP
CC(C)NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NC(C)C)nc2)cn1	ZINC000043079257	563118448	/nfs/dbraw/zinc/11/84/48/563118448.db2.gz	NHJZIHPZXKZCEU-UHFFFAOYSA-N	2	0	426.565	3.751	1	0		IHAFRP
[NH3+]Cc1[nH]nnc1-c1ccc2c(c1)[nH]nc2-c1cc2cc(C[NH+]3CCC(F)CC3)ccc2[nH]1	ZINC000014949277	563015560	/nfs/dbraw/zinc/01/55/60/563015560.db2.gz	PTTHTNNSSNKMSD-UHFFFAOYSA-N	2	0	444.518	3.889	1	0		IHAFRP
C[NH2+]C[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)C[C@H](Cc1ccc(O)cc1)[NH+](C)C	ZINC000036216336	563092105	/nfs/dbraw/zinc/09/21/05/563092105.db2.gz	FYEYAZGONQVOOC-UIOOFZCWSA-N	2	0	447.623	3.903	1	0		IHAFRP
COc1ccc2cc3[n+](cc2c1OCC[n+]1cccc(C)c1)CCc1cc2c(cc1-3)OCO2	ZINC000049808274	563140314	/nfs/dbraw/zinc/14/03/14/563140314.db2.gz	QGMYWZRHXYJXFT-UHFFFAOYSA-N	2	0	442.515	3.763	1	0		IHAFRP
COc1ccc2cc3[n+](cc2c1OCCC[NH+]1CCCC1)CCc1cc2c(cc1-3)OCO2	ZINC000064527823	563154651	/nfs/dbraw/zinc/15/46/51/563154651.db2.gz	RGYSVWJMQZUXQI-UHFFFAOYSA-N	2	0	433.528	3.952	1	0		IHAFRP
C[NH+](C)CCNc1nc([C@@H]2C[NH2+]C[C@H]2c2ccc(F)cc2)nc2ccc(-c3cn[nH]c3)cc21	ZINC000095591866	563190464	/nfs/dbraw/zinc/19/04/64/563190464.db2.gz	VZPVFOKTKMRVPA-FCHUYYIVSA-N	2	0	445.546	3.603	1	0		IHAFRP
C[C@H]1CC(=O)Nc2ccc(Cl)cc2N1C(=O)C[NH+]1CCC(CCCC[NH+](C)C)CC1	ZINC000001630708	562923414	/nfs/dbraw/zinc/92/34/14/562923414.db2.gz	VIDKORWVZTYDMJ-KRWDZBQOSA-N	2	0	435.012	3.848	1	0		IHAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH2+]Cc1ccccc1	ZINC000013863367	563013254	/nfs/dbraw/zinc/01/32/54/563013254.db2.gz	ZXCCLWMAQYTFDD-IGKIAQTJSA-N	2	0	443.591	3.622	1	0		IHAFRP
NC(=[NH2+])c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](C(F)F)[C@H]3[C@@H]3CCC[N@H+]23)cc1	ZINC000016051910	563020826	/nfs/dbraw/zinc/02/08/26/563020826.db2.gz	NZWWYNXVMVTCCT-SXYSDOLCSA-N	2	0	442.485	3.537	1	0		IHAFRP
c1ccc(COc2cccc(C3=[NH+]CCN3)c2)c(COc2cccc(C3=[NH+]CCN3)c2)c1	ZINC000043061545	563117634	/nfs/dbraw/zinc/11/76/34/563117634.db2.gz	WEHOJJKPLBHDKX-UHFFFAOYSA-N	2	0	426.520	3.544	1	0		IHAFRP
Cc1cc(N)c2cc(NC(=O)CCC(=O)Nc3ccc4[nH+]c(C)cc(N)c4c3)ccc2[nH+]1	ZINC000045193321	563124053	/nfs/dbraw/zinc/12/40/53/563124053.db2.gz	RMBQEANXKMPNGQ-UHFFFAOYSA-N	2	0	428.496	3.922	1	0		IHAFRP
C[NH+]1CCN(c2cccc3nc(C[N@H+](CC4CC4)[C@H]4CCCc5cccnc54)cn32)CC1	ZINC000045256396	563127326	/nfs/dbraw/zinc/12/73/26/563127326.db2.gz	ZNYNQVPNMSPERK-QHCPKHFHSA-N	2	0	430.600	3.771	1	0		IHAFRP
C[NH+](C)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@@]21C	ZINC000066058939	563156882	/nfs/dbraw/zinc/15/68/82/563156882.db2.gz	PXMQEGMGWBPMEL-DHPUSAMXSA-N	2	0	444.660	3.572	1	0		IHAFRP
CC[NH+](CC)CCCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)CC1	ZINC000005807583	562944710	/nfs/dbraw/zinc/94/47/10/562944710.db2.gz	DYRURHSQYPSIJP-FQEVSTJZSA-N	2	0	428.621	3.974	1	0		IHAFRP
C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1	ZINC000013794112	563007049	/nfs/dbraw/zinc/00/70/49/563007049.db2.gz	DWFQDOFCYOGPNR-QHCPKHFHSA-N	2	0	428.584	3.804	1	0		IHAFRP
C[NH+](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(OC[C@H](O)C[NH2+]C(C)(C)C)ccc4[C@H]3CC[C@]12C	ZINC000066058938	563156911	/nfs/dbraw/zinc/15/69/11/563156911.db2.gz	PXMQEGMGWBPMEL-MXHFGACLSA-N	2	0	444.660	3.572	1	0		IHAFRP
C[C@@H]1CN(c2nc3ccccc3n2C2CC[NH+](C3(CO)CCCCCCC3)CC2)CC[NH2+]1	ZINC000066101140	563158274	/nfs/dbraw/zinc/15/82/74/563158274.db2.gz	ZFBVHBCZNNALTI-OAQYLSRUSA-N	2	0	439.648	3.947	1	0		IHAFRP
CC[NH+](CC)CCOc1ccc2c(c1)S(=O)(=O)c1cc(OCC[NH+](CC)CC)ccc1-2	ZINC000082154680	563173522	/nfs/dbraw/zinc/17/35/22/563173522.db2.gz	IEYIIJMTZDSVDX-UHFFFAOYSA-N	2	0	446.613	3.941	1	0		IHAFRP
C[N@@H+]1CCc2c(cccc2C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCCCC2)C1	ZINC000095590555	563190094	/nfs/dbraw/zinc/19/00/94/563190094.db2.gz	DIKKTLPJDURHSW-UHFFFAOYSA-N	2	0	446.639	3.929	1	0		IHAFRP
CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)cc3)cc2C1	ZINC000096284381	563197268	/nfs/dbraw/zinc/19/72/68/563197268.db2.gz	OBWFOTDCVMCZMZ-VWLOTQADSA-N	2	0	446.595	3.879	1	0		IHAFRP
CC(C)[NH2+]CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH2+]C(C)C)ccc1-2	ZINC000096938153	563199723	/nfs/dbraw/zinc/19/97/23/563199723.db2.gz	JIOHDXJMKLTBLV-UHFFFAOYSA-N	2	0	436.556	3.551	1	0		IHAFRP
C[C@@H]1CC(=O)Nc2ccc(Cl)cc2N1C(=O)C[NH+]1CCC(CCCC[NH+](C)C)CC1	ZINC000001630709	562923383	/nfs/dbraw/zinc/92/33/83/562923383.db2.gz	VIDKORWVZTYDMJ-QGZVFWFLSA-N	2	0	435.012	3.848	1	0		IHAFRP
NC(=[NH2+])c1ccc(OCCCOc2ccc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)cc2)cc1	ZINC000026745091	563036315	/nfs/dbraw/zinc/03/63/15/563036315.db2.gz	WQLMTEDWPLOZEM-UHFFFAOYSA-N	2	0	428.496	3.646	1	0		IHAFRP
COc1ccc2cc3[n+](cc2c1OCCC[n+]1ccccc1)CCc1cc2c(cc1-3)OCO2	ZINC000040424834	563103049	/nfs/dbraw/zinc/10/30/49/563103049.db2.gz	UUWMOHVVUKZBMG-UHFFFAOYSA-N	2	0	442.515	3.844	1	0		IHAFRP
[NH3+]CCC[NH2+]CCOc1ccc(Br)cc1NC(=O)Cc1ccccc1Cl	ZINC000058548086	563144356	/nfs/dbraw/zinc/14/43/56/563144356.db2.gz	ASYAYEKJHOIEME-UHFFFAOYSA-N	2	0	440.769	3.601	1	0		IHAFRP
O=C1c2cc(O[C@@H]3C[NH+]4CCC3CC4)ccc2-c2ccc(O[C@@H]3C[NH+]4CCC3CC4)cc21	ZINC000082157327	563173763	/nfs/dbraw/zinc/17/37/63/563173763.db2.gz	APEMGXJASZBCBS-CLJLJLNGSA-N	2	0	430.548	3.844	1	0		IHAFRP
C[NH+]1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(C[NH3+])cc6)ccc54)nc32)CC1	ZINC000040901111	563111046	/nfs/dbraw/zinc/11/10/46/563111046.db2.gz	SAKBODKHQMFEKY-UHFFFAOYSA-N	2	0	437.551	3.984	1	0		IHAFRP
COc1ccc2nccc([C@@H](O)C[NH2+]CCCN(C)CCOc3cc(F)cc(F)c3)c2c1	ZINC000045229686	563125945	/nfs/dbraw/zinc/12/59/45/563125945.db2.gz	CRMJFEMLEMWZQK-DEOSSOPVSA-N	2	0	445.510	3.546	1	0		IHAFRP
[NH3+]Cc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c(C[NH3+])c1	ZINC000066102064	563158491	/nfs/dbraw/zinc/15/84/91/563158491.db2.gz	MAJZBHXGPRNRPK-XMMPIXPASA-N	2	0	426.568	3.955	1	0		IHAFRP
O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c2ccccc21	ZINC000073219334	563170413	/nfs/dbraw/zinc/17/04/13/563170413.db2.gz	VCFBUZYRXPVGQV-DWXRJYCRSA-N	2	0	432.543	3.911	1	0		IHAFRP
C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)C[NH+]2CCCC2)nc2ccccc21	ZINC000096908894	563197643	/nfs/dbraw/zinc/19/76/43/563197643.db2.gz	CQJRGIUPIUIECE-UHFFFAOYSA-N	2	0	432.572	3.695	1	0		IHAFRP
C[NH+]1CCN(CC[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccc(Cl)cc2)CC1	ZINC000096938976	563199899	/nfs/dbraw/zinc/19/98/99/563199899.db2.gz	JSGQYBDPWYJNHI-UHFFFAOYSA-N	2	0	445.945	3.808	1	0		IHAFRP
CCn1c(COc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2)nc2cc(C(N)=[NH2+])ccc21	ZINC000028370818	563053778	/nfs/dbraw/zinc/05/37/78/563053778.db2.gz	MAQFMHUNFYHPCS-UHFFFAOYSA-N	2	0	434.544	3.760	1	0		IHAFRP
COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4[NH3+])n3)cc2CC1	ZINC000072174846	563165273	/nfs/dbraw/zinc/16/52/73/563165273.db2.gz	BRCAAXPOGGBGLV-NHCUHLMSSA-N	2	0	445.011	3.602	1	0		IHAFRP
O=C(c1cc2cc(F)ccc2[nH]1)N1C[C@]2(CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c2ccccc21	ZINC000082157921	563173848	/nfs/dbraw/zinc/17/38/48/563173848.db2.gz	VCFBUZYRXPVGQV-HFJWLAOPSA-N	2	0	432.543	3.911	1	0		IHAFRP
NC(=[NH2+])c1cccc(COC(=O)c2cc3ccccc3n2Cc2cccc(C(N)=[NH2+])c2)c1	ZINC000002047781	562925703	/nfs/dbraw/zinc/92/57/03/562925703.db2.gz	ZJZBBFMRHRUCQD-UHFFFAOYSA-N	2	0	425.492	3.615	1	0		IHAFRP
CC[NH+](CC)CCCCC1CC[NH+](CC(=O)N2C[C@H](C)C(=O)Nc3ccccc32)CC1	ZINC000005807581	562944705	/nfs/dbraw/zinc/94/47/05/562944705.db2.gz	JVGJXYDMHHAVDU-FQEVSTJZSA-N	2	0	428.621	3.832	1	0		IHAFRP
FC1(F)CCC[NH2+]CCN(Cc2ccc(C[NH2+]Cc3ccccn3)cc2)CC[NH2+]CCC1	ZINC000022451141	563025555	/nfs/dbraw/zinc/02/55/55/563025555.db2.gz	GKJYLJLZQLRHLX-UHFFFAOYSA-N	3	0	445.602	3.562	1	0		IHAFRP
C[NH+](C)CCCNc1cc(-c2cccc(C[NH2+]CCN3CCOCC3)c2)[nH+]c2ccccc12	ZINC000028640887	563060186	/nfs/dbraw/zinc/06/01/86/563060186.db2.gz	SRNMIIUPPCZVAH-UHFFFAOYSA-N	3	0	447.627	3.687	1	0		IHAFRP
c1cc(COc2ccc(C3=[NH+]CCN3)cc2)cc(COc2ccc(C3=[NH+]CCN3)cc2)c1	ZINC000034001440	563085241	/nfs/dbraw/zinc/08/52/41/563085241.db2.gz	DFHUONUDEPNZSA-UHFFFAOYSA-N	2	0	426.520	3.544	1	0		IHAFRP
O=C(C[NH+]1CCCC1)Nc1ccc(CCc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1	ZINC000066111656	563158851	/nfs/dbraw/zinc/15/88/51/563158851.db2.gz	DPIBJBRNIODQDR-UHFFFAOYSA-N	2	0	434.584	3.540	1	0		IHAFRP
Cc1cc(N)[nH+]c(CCc2cc(CCc3cc(C)cc(N)[nH+]3)cc(N3CC[NH+](C)CC3)c2)c1	ZINC000095580930	563187399	/nfs/dbraw/zinc/18/73/99/563187399.db2.gz	PRWXJDNYQGFJKM-UHFFFAOYSA-N	3	0	444.627	3.580	1	0		IHAFRP
CCOC(=O)[C@H](Cc1ccc2ccc(C(N)=[NH2+])cc2c1)c1ccc(O[C@H]2CC[NH2+]C2)cc1	ZINC000013735908	563002333	/nfs/dbraw/zinc/00/23/33/563002333.db2.gz	VZKCASWHKFZIEV-BJKOFHAPSA-N	2	0	431.536	3.754	1	0		IHAFRP
CCOC(=O)[C@@H](Cc1ccc2cc(C(N)=[NH2+])ccc2c1)c1ccc(O[C@H]2CC[NH2+]C2)cc1	ZINC000013735899	563002336	/nfs/dbraw/zinc/00/23/36/563002336.db2.gz	VWENWTAMDZAVEI-ZEQRLZLVSA-N	2	0	431.536	3.754	1	0		IHAFRP
CN(C)CC[NH2+]Cc1ccc(-c2cccc(-c3ccc(C[NH2+]CCN(C)C)cc3)n2)cc1	ZINC000022922382	563025806	/nfs/dbraw/zinc/02/58/06/563025806.db2.gz	RJAWNQMCHZONCL-UHFFFAOYSA-N	2	0	431.628	3.718	1	0		IHAFRP
COc1ccc(C[NH2+]CCCN2CCN(CCC[NH+](CC(C)C)CC(C)C)CC2)cc1	ZINC000027212017	563041017	/nfs/dbraw/zinc/04/10/17/563041017.db2.gz	CIUZJEYSSWOHIB-UHFFFAOYSA-N	2	0	432.697	3.797	1	0		IHAFRP
CC[NH+]1CCN(Cc2ccc(-c3cc4c(ncnc4[C@](C)([NH3+])c4ccccc4)[nH]3)cc2)CC1	ZINC000064573539	563156511	/nfs/dbraw/zinc/15/65/11/563156511.db2.gz	PPIPOUYCZVENKK-HHHXNRCGSA-N	2	0	440.595	3.985	1	0		IHAFRP
C[NH2+][C@@H](Cc1ccc(O)cc1)CN(C)[C@H](C[NH2+]Cc1ccccc1)Cc1ccc(O)cc1	ZINC000034047265	563085351	/nfs/dbraw/zinc/08/53/51/563085351.db2.gz	LTQLAQMKBRHVMW-DQEYMECFSA-N	2	0	433.596	3.561	1	0		IHAFRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)N1c2ccccc2Sc2ccccc21	ZINC000036322118	563092750	/nfs/dbraw/zinc/09/27/50/563092750.db2.gz	XCFYTBDDSQDECE-UHFFFAOYSA-N	3	0	427.618	3.697	1	0		IHAFRP
CC[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1cc(OCCC[NH+](C)C)nc2ccc(OC)cc21	ZINC000045334536	563131075	/nfs/dbraw/zinc/13/10/75/563131075.db2.gz	COJCEYDQKYMDMY-DWYHVSQESA-N	2	0	427.589	3.728	1	0		IHAFRP
C[NH+]1CCN(CC[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2cccc(Cl)c2)CC1	ZINC000096938979	563199939	/nfs/dbraw/zinc/19/99/39/563199939.db2.gz	NPSGNDVZGHYSBO-UHFFFAOYSA-N	2	0	445.945	3.808	1	0		IHAFRP
Cc1cccc2c1cc(C(=O)NCC1CCC(C(N)=[NH2+])CC1)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000003831873	562939076	/nfs/dbraw/zinc/93/90/76/562939076.db2.gz	QGKWCKKJDSPQBN-UHFFFAOYSA-N	2	0	444.583	3.754	1	0		IHAFRP
COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCCN4CC[NH+](C5CC5)CC4)ccc32)cc1	ZINC000028818118	563064799	/nfs/dbraw/zinc/06/47/99/563064799.db2.gz	UESRDXOTUAFPQL-MHZLTWQESA-N	2	0	435.612	3.821	1	0		IHAFRP
CC(C)NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NC(C)C)cn2)nc1	ZINC000043075523	563118329	/nfs/dbraw/zinc/11/83/29/563118329.db2.gz	RCSZXCNAOBBSQG-UHFFFAOYSA-N	2	0	426.565	3.751	1	0		IHAFRP
NC(=O)c1ccc2c(c1)CCCN2c1ccc(C[NH2+]C2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000066263317	563160912	/nfs/dbraw/zinc/16/09/12/563160912.db2.gz	KNCBWLPRVGFIGB-UHFFFAOYSA-N	2	0	448.611	3.603	1	0		IHAFRP
O=C(Nc1ccc2c(cnn2CC[NH+]2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000028525171	563056643	/nfs/dbraw/zinc/05/66/43/563056643.db2.gz	OGOPSZFRZRFQJT-UHFFFAOYSA-N	2	0	446.599	3.918	1	0		IHAFRP
CCCC[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CCCC)ccc1-2	ZINC000096938161	563199725	/nfs/dbraw/zinc/19/97/25/563199725.db2.gz	XJTYXGIWQMQYRT-UHFFFAOYSA-N	2	0	436.556	3.554	1	0		IHAFRP
COc1cc2cc[n+](C)c(CCCc3c4cc(OC)c(OC)cc4cc[n+]3C)c2cc1OC	ZINC000028712415	563062975	/nfs/dbraw/zinc/06/29/75/563062975.db2.gz	VGZAUPORTCLKEB-UHFFFAOYSA-N	2	0	448.563	3.852	1	0		IHAFRP
CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH3+])CC2)C1	ZINC000028959630	563070713	/nfs/dbraw/zinc/07/07/13/563070713.db2.gz	ZAMJOUGYZXXDBD-XZOQPEGZSA-N	2	0	441.019	3.571	1	0		IHAFRP
C[C@H]1CN(c2nc3ccccc3n2C2CC[NH+](C3(CO)CCCCCCC3)CC2)CC[NH2+]1	ZINC000066101142	563158277	/nfs/dbraw/zinc/15/82/77/563158277.db2.gz	ZFBVHBCZNNALTI-NRFANRHFSA-N	2	0	439.648	3.947	1	0		IHAFRP