smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC[NH2+]3)CC2)c1C[N@@H+]1CC[C@@H](CO)C1	ZINC001164388700	718803337	/nfs/dbraw/zinc/80/33/37/718803337.db2.gz	ZWPPZCFHKVDQFD-LJQANCHMSA-N	2	0	443.636	2.993	20	0		IFADRP
CCOC(=O)C1CC[NH+](C2CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)CC1	ZINC001164613865	719023973	/nfs/dbraw/zinc/02/39/73/719023973.db2.gz	IJMFTNOSKPLFFF-UHFFFAOYSA-N	2	0	436.000	2.841	20	0		IFADRP
Cn1ncc2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C[C@H]2COc1cccnc1	ZINC001164683404	719600102	/nfs/dbraw/zinc/60/01/02/719600102.db2.gz	FUOZTVWGQZPQKR-SFHVURJKSA-N	2	0	434.544	2.866	20	0		IFADRP
CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1	ZINC001164725477	720317537	/nfs/dbraw/zinc/31/75/37/720317537.db2.gz	VWWWXPOCJVNFEN-OAQYLSRUSA-N	2	0	426.565	2.572	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](CO[C@@H]4CC(=O)N4CCCCC4)C3)c2)CC1	ZINC001164836699	720503431	/nfs/dbraw/zinc/50/34/31/720503431.db2.gz	NMXUBYVKHRKMLV-UEVCKROQSA-N	2	0	442.604	2.799	20	0		IFADRP
c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1	ZINC001164748560	720875788	/nfs/dbraw/zinc/87/57/88/720875788.db2.gz	FXBJDUWFHCCLTH-BVAGGSTKSA-N	2	0	433.600	2.877	20	0		IFADRP
Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164751395	720940412	/nfs/dbraw/zinc/94/04/12/720940412.db2.gz	LXIYCGVMUDZFKY-OZXSUGGESA-N	2	0	448.615	2.622	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4cncn4C[C@H](COc4cccnc4)C3)c2)CC1	ZINC001164770630	721276509	/nfs/dbraw/zinc/27/65/09/721276509.db2.gz	VELAIIFRENQVHW-LJQANCHMSA-N	2	0	434.544	2.862	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891593	721430978	/nfs/dbraw/zinc/43/09/78/721430978.db2.gz	HETZHXNQPSAMKZ-MHECFPHRSA-N	2	0	441.576	2.505	20	0		IFADRP
CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1	ZINC001164788683	721447864	/nfs/dbraw/zinc/44/78/64/721447864.db2.gz	SNMMMUVGRGHYGB-NRFANRHFSA-N	2	0	431.625	2.975	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CCCO[C@@H]12	ZINC001164802958	721571473	/nfs/dbraw/zinc/57/14/73/721571473.db2.gz	IXIGVJGLSQQYRP-SGIRGMQISA-N	2	0	437.588	2.819	20	0		IFADRP
C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1	ZINC001164935331	721890176	/nfs/dbraw/zinc/89/01/76/721890176.db2.gz	VOKMZHJUYRONAU-RBUKOAKNSA-N	2	0	425.955	2.871	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1	ZINC001164975488	722152819	/nfs/dbraw/zinc/15/28/19/722152819.db2.gz	TXMBPPPAKSXDKO-XUZZJYLKSA-N	3	0	437.588	2.677	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@]4(CCCN(C(=O)c5ccco5)C4)C3)c2)CC1	ZINC001165000698	722249903	/nfs/dbraw/zinc/24/99/03/722249903.db2.gz	JOBQFVWHMZCPGR-DEOSSOPVSA-N	2	0	440.544	2.659	20	0		IFADRP
CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2	ZINC001164615935	719010001	/nfs/dbraw/zinc/01/00/01/719010001.db2.gz	JVCDIEJGPUQNOQ-NLFFAJNJSA-N	2	0	442.604	2.706	20	0		IFADRP
CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164614266	719011398	/nfs/dbraw/zinc/01/13/98/719011398.db2.gz	DTSMSYKWMWBISM-OFVILXPXSA-N	3	0	442.604	2.704	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4nnc(COc5cccnc5)c4C3)c2)CC1	ZINC001164652752	719327939	/nfs/dbraw/zinc/32/79/39/719327939.db2.gz	FKOOJRVUMXYCMK-UHFFFAOYSA-N	2	0	435.532	2.530	20	0		IFADRP
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4c(n3)CC[NH2+]C4)CC2)c2ccccc21	ZINC001164681409	719659364	/nfs/dbraw/zinc/65/93/64/719659364.db2.gz	NVEYPTMZHGEDLX-OAQYLSRUSA-N	2	0	447.627	2.821	20	0		IFADRP
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1	ZINC001164820616	720307785	/nfs/dbraw/zinc/30/77/85/720307785.db2.gz	HWMSWQJCYUBFCT-WOJBJXKFSA-N	2	0	447.027	2.509	20	0		IFADRP
C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1C[NH2+]CC2	ZINC001164850241	720805475	/nfs/dbraw/zinc/80/54/75/720805475.db2.gz	VBIDKAIUTDLLTA-OAHLLOKOSA-N	2	0	428.968	2.787	20	0		IFADRP
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1	ZINC001164857121	720846846	/nfs/dbraw/zinc/84/68/46/720846846.db2.gz	XQLDTOBAJQCSNE-ILBGXUMGSA-N	2	0	436.600	2.813	20	0		IFADRP
COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1	ZINC001164857127	720847094	/nfs/dbraw/zinc/84/70/94/720847094.db2.gz	XQLDTOBAJQCSNE-ZCYQVOJMSA-N	2	0	436.600	2.813	20	0		IFADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1	ZINC001164780317	721360619	/nfs/dbraw/zinc/36/06/19/721360619.db2.gz	GBAYHXCDZXTMIU-DEOSSOPVSA-N	2	0	441.576	2.642	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891592	721430732	/nfs/dbraw/zinc/43/07/32/721430732.db2.gz	HETZHXNQPSAMKZ-KOSHJBKYSA-N	2	0	441.576	2.505	20	0		IFADRP
C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907347	721714099	/nfs/dbraw/zinc/71/40/99/721714099.db2.gz	RAJALEUGRAUAOB-QHCPKHFHSA-N	2	0	442.558	2.966	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)c2)CC1	ZINC001164974861	722090833	/nfs/dbraw/zinc/09/08/33/722090833.db2.gz	NVYAANNPPACOGT-UTKZUKDTSA-N	2	0	442.585	2.554	20	0		IFADRP
c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2)c1	ZINC001164982277	722134911	/nfs/dbraw/zinc/13/49/11/722134911.db2.gz	RMJTUAAUZAQDET-GOTSBHOMSA-N	2	0	437.588	2.679	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1	ZINC001164975487	722152598	/nfs/dbraw/zinc/15/25/98/722152598.db2.gz	TXMBPPPAKSXDKO-URXFXBBRSA-N	3	0	437.588	2.677	20	0		IFADRP
CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164990223	722187731	/nfs/dbraw/zinc/18/77/31/722187731.db2.gz	KTPYXXOHYXGELT-OAQYLSRUSA-N	2	0	430.593	2.656	20	0		IFADRP
CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC[NH2+]3)CC2)c1C[N@@H+]1CC[C@H](CO)C1	ZINC001164388698	718803453	/nfs/dbraw/zinc/80/34/53/718803453.db2.gz	ZWPPZCFHKVDQFD-IBGZPJMESA-N	2	0	443.636	2.993	20	0		IFADRP
CCOC(=O)C1CC[NH+](C2CCN(c3cc(OC4CC[NH+](C)CC4)ccn3)CC2)CC1	ZINC001164618066	719034403	/nfs/dbraw/zinc/03/44/03/719034403.db2.gz	RRNVTULFXKKGPF-UHFFFAOYSA-N	2	0	430.593	2.799	20	0		IFADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1	ZINC001164656332	719326990	/nfs/dbraw/zinc/32/69/90/719326990.db2.gz	XAVRVFHVBOKFDC-LJQANCHMSA-N	2	0	433.578	2.619	20	0		IFADRP
CNC(=O)C[N@@H+]1CCCC12CCN(c1ccc3c(n1)CC[NH+](Cc1ccccc1)C3)CC2	ZINC001164686281	719711603	/nfs/dbraw/zinc/71/16/03/719711603.db2.gz	YTIIJNDAZHYAHD-UHFFFAOYSA-N	2	0	433.600	2.821	20	0		IFADRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc(N4CCC([NH3+])CC4)n2)CC3)cs1	ZINC001164691229	719811266	/nfs/dbraw/zinc/81/12/66/719811266.db2.gz	BFLYIHGWSZYTLM-UHFFFAOYSA-N	2	0	427.622	2.804	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c2)CC1	ZINC001164728408	720503709	/nfs/dbraw/zinc/50/37/09/720503709.db2.gz	FPBPSWZJLNTGON-XUZZJYLKSA-N	2	0	437.544	2.574	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)c2)CC1	ZINC001164728410	720503794	/nfs/dbraw/zinc/50/37/94/720503794.db2.gz	FPBPSWZJLNTGON-ZJSXRUAMSA-N	2	0	437.544	2.574	20	0		IFADRP
c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1	ZINC001164736724	720665127	/nfs/dbraw/zinc/66/51/27/720665127.db2.gz	AUGTZTLOVPLYCV-DHIUTWEWSA-N	2	0	442.567	2.772	20	0		IFADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2	ZINC001164784511	721463578	/nfs/dbraw/zinc/46/35/78/721463578.db2.gz	IOOSVFOWYSDYGF-JOCHJYFZSA-N	2	0	443.636	2.678	20	0		IFADRP
C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]c(N4CCCC4)cc4ccccc42)CC3)CC1	ZINC001164796132	721519955	/nfs/dbraw/zinc/51/99/55/721519955.db2.gz	VZZACRUWHKZGQT-UHFFFAOYSA-N	2	0	431.588	2.799	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CCCO[C@H]12	ZINC001164802956	721571862	/nfs/dbraw/zinc/57/18/62/721571862.db2.gz	IXIGVJGLSQQYRP-FBLLAGFSSA-N	2	0	437.588	2.819	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CCCO[C@@H]21	ZINC001164807688	721588377	/nfs/dbraw/zinc/58/83/77/721588377.db2.gz	PMKLVOSRWCSOTQ-CUYJMHBOSA-N	2	0	437.588	2.818	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CCCO[C@@H]12	ZINC001164807692	721588472	/nfs/dbraw/zinc/58/84/72/721588472.db2.gz	PMKLVOSRWCSOTQ-SONWIMMPSA-N	2	0	437.588	2.818	20	0		IFADRP
[NH3+]C1CCN(c2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907808	721715818	/nfs/dbraw/zinc/71/58/18/721715818.db2.gz	UHXJVMQRDQSKPI-QFIPXVFZSA-N	2	0	443.546	2.537	20	0		IFADRP
FC1(F)CCN(c2ccc(OC3CC[NH2+]CC3)nn2)C[C@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164911754	721725586	/nfs/dbraw/zinc/72/55/86/721725586.db2.gz	KEZGFZOMAJIALU-JOCHJYFZSA-N	2	0	444.530	2.740	20	0		IFADRP
CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164924433	721836920	/nfs/dbraw/zinc/83/69/20/721836920.db2.gz	MNXUAALBZAAKMA-YADARESESA-N	2	0	438.576	2.609	20	0		IFADRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC3)C2)cc1	ZINC001164939245	721920600	/nfs/dbraw/zinc/92/06/00/721920600.db2.gz	SYPUUEYIMNIQDM-UHFFFAOYSA-N	2	0	427.980	2.956	20	0		IFADRP
Cc1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959928	722025482	/nfs/dbraw/zinc/02/54/82/722025482.db2.gz	JNTCLHXYAQKWLH-GBXCKJPGSA-N	2	0	438.576	2.704	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H]4[C@H]3CC[C@@H]4Oc3ncccc3F)c2)CC1	ZINC001164956839	722030018	/nfs/dbraw/zinc/03/00/18/722030018.db2.gz	KHECXTRNBTXXFW-URVUXULASA-N	2	0	428.508	2.904	20	0		IFADRP
[NH3+]C1CCN(c2cccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)[nH+]2)CC1	ZINC001164960043	722058673	/nfs/dbraw/zinc/05/86/73/722058673.db2.gz	FNBLOKIRIDSKKS-UHFFFAOYSA-N	3	0	436.604	2.523	20	0		IFADRP
COc1cc2cc[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c2cc1OC	ZINC001165002868	722254220	/nfs/dbraw/zinc/25/42/20/722254220.db2.gz	VJFABXHXAUHUJV-UHFFFAOYSA-N	2	0	425.533	2.937	20	0		IFADRP
CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2	ZINC001164615933	719009795	/nfs/dbraw/zinc/00/97/95/719009795.db2.gz	JVCDIEJGPUQNOQ-CPJSRVTESA-N	2	0	442.604	2.706	20	0		IFADRP
CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2	ZINC001164615932	719010072	/nfs/dbraw/zinc/01/00/72/719010072.db2.gz	JVCDIEJGPUQNOQ-CJFMBICVSA-N	2	0	442.604	2.706	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@H](CO[C@H]4CC(=O)N4CCCCC4)C3)c2)CC1	ZINC001164836697	720503318	/nfs/dbraw/zinc/50/33/18/720503318.db2.gz	NMXUBYVKHRKMLV-PMOQBDJRSA-N	2	0	442.604	2.799	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@@H]4C3)c2)CC1	ZINC001164836700	720503437	/nfs/dbraw/zinc/50/34/37/720503437.db2.gz	NMXUBYVKHRKMLV-WWPVKYPJSA-N	2	0	442.604	2.799	20	0		IFADRP
c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1	ZINC001164736729	720665532	/nfs/dbraw/zinc/66/55/32/720665532.db2.gz	AUGTZTLOVPLYCV-PKTZIBPZSA-N	2	0	442.567	2.772	20	0		IFADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2	ZINC001164839341	720714112	/nfs/dbraw/zinc/71/41/12/720714112.db2.gz	LEQOWXKTORONQW-NRFANRHFSA-N	2	0	437.588	2.867	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]cc21	ZINC001164745783	720844291	/nfs/dbraw/zinc/84/42/91/720844291.db2.gz	NKEXCFJMQRPXRG-KGVIQGDOSA-N	2	0	449.559	2.711	20	0		IFADRP
Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164751397	720939865	/nfs/dbraw/zinc/93/98/65/720939865.db2.gz	LXIYCGVMUDZFKY-ZEQKJWHPSA-N	2	0	448.615	2.622	20	0		IFADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1	ZINC001164754836	720968615	/nfs/dbraw/zinc/96/86/15/720968615.db2.gz	YHAQQSHDRRGCHT-FQEVSTJZSA-N	2	0	440.592	2.861	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c2)CC1	ZINC001164885342	721352568	/nfs/dbraw/zinc/35/25/68/721352568.db2.gz	PRPNOCHQTRNUDU-NZQKXSOJSA-N	2	0	436.556	2.532	20	0		IFADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(OC3CC[NH2+]CC3)nn2)CC1	ZINC001165021204	721843911	/nfs/dbraw/zinc/84/39/11/721843911.db2.gz	HTLCNYDLSBOGJN-UHFFFAOYSA-N	2	0	441.576	2.725	20	0		IFADRP
C[NH+](C)CC1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@@H](CO)C2)CC1	ZINC001165045590	721947646	/nfs/dbraw/zinc/94/76/46/721947646.db2.gz	SFAXORBXSNMZOH-LJQANCHMSA-N	2	0	431.625	2.658	20	0		IFADRP
Cc1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959932	722025541	/nfs/dbraw/zinc/02/55/41/722025541.db2.gz	JNTCLHXYAQKWLH-RDPSFJRHSA-N	2	0	438.576	2.704	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)c2)CC1	ZINC001164974862	722090785	/nfs/dbraw/zinc/09/07/85/722090785.db2.gz	NVYAANNPPACOGT-UWJYYQICSA-N	2	0	442.585	2.554	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4c5ccccc5N(S(C)(=O)=O)C[C@@H]4C3)c2)CC1	ZINC001164974860	722090869	/nfs/dbraw/zinc/09/08/69/722090869.db2.gz	NVYAANNPPACOGT-LAUBAEHRSA-N	2	0	442.585	2.554	20	0		IFADRP
CCOC[C@H]1C(=O)N(CC)CC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164990222	722187791	/nfs/dbraw/zinc/18/77/91/722187791.db2.gz	KTPYXXOHYXGELT-NRFANRHFSA-N	2	0	430.593	2.656	20	0		IFADRP
CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164614269	719011107	/nfs/dbraw/zinc/01/11/07/719011107.db2.gz	DTSMSYKWMWBISM-PXDATVDWSA-N	3	0	442.604	2.704	20	0		IFADRP
CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164614273	719011204	/nfs/dbraw/zinc/01/12/04/719011204.db2.gz	DTSMSYKWMWBISM-SQJMNOBHSA-N	3	0	442.604	2.704	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CCC([NH+]4CCC(C(=O)OCC)CC4)CC3)[nH+]cc21	ZINC001164618562	719030944	/nfs/dbraw/zinc/03/09/44/719030944.db2.gz	YNSOUXZNSUYRRG-UHFFFAOYSA-N	2	0	428.533	2.984	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)c2)CC1	ZINC001164705800	719836841	/nfs/dbraw/zinc/83/68/41/719836841.db2.gz	VSWGCYZWSGRVTA-UHFFFAOYSA-N	2	0	436.556	2.957	20	0		IFADRP
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1	ZINC001164820614	720307656	/nfs/dbraw/zinc/30/76/56/720307656.db2.gz	HWMSWQJCYUBFCT-VQTJNVASSA-N	2	0	447.027	2.509	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]cc21	ZINC001164831969	720335248	/nfs/dbraw/zinc/33/52/48/720335248.db2.gz	SMUNJSONMCCPLB-RTWAWAEBSA-N	2	0	439.560	2.651	20	0		IFADRP
COCC[N@@H+]1CCO[C@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@@H]2C1	ZINC001164857124	720847266	/nfs/dbraw/zinc/84/72/66/720847266.db2.gz	XQLDTOBAJQCSNE-NOZRDPDXSA-N	2	0	436.600	2.813	20	0		IFADRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1	ZINC001164875746	721291253	/nfs/dbraw/zinc/29/12/53/721291253.db2.gz	GIFOILUHTVBNKH-QFIPXVFZSA-N	2	0	443.636	2.636	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891591	721430833	/nfs/dbraw/zinc/43/08/33/721430833.db2.gz	HETZHXNQPSAMKZ-HOYKHHGWSA-N	2	0	441.576	2.505	20	0		IFADRP
CCN(C)c1cc(C)[nH+]c(N2CCC3(C[C@H](COCC4CC4)[N@H+](CCOC)C3)CC2)n1	ZINC001164788687	721448021	/nfs/dbraw/zinc/44/80/21/721448021.db2.gz	SNMMMUVGRGHYGB-OAQYLSRUSA-N	2	0	431.625	2.975	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4nnc(CNc5cccnc5)c4C3)c2)CC1	ZINC001164787396	721475626	/nfs/dbraw/zinc/47/56/26/721475626.db2.gz	FNCQVXXCAWKKCE-UHFFFAOYSA-N	2	0	434.548	2.564	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)c2)CC1	ZINC001164793557	721487965	/nfs/dbraw/zinc/48/79/65/721487965.db2.gz	SOQHOHBHWXMOTK-UZUQRXQVSA-N	2	0	428.508	2.621	20	0		IFADRP
Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1	ZINC001164906417	721565950	/nfs/dbraw/zinc/56/59/50/721565950.db2.gz	IVIKPPAEVSIBNP-REWPJTCUSA-N	2	0	426.536	2.941	20	0		IFADRP
Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1	ZINC001164906416	721566400	/nfs/dbraw/zinc/56/64/00/721566400.db2.gz	IVIKPPAEVSIBNP-OFNKIYASSA-N	2	0	426.536	2.941	20	0		IFADRP
FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164905532	721717773	/nfs/dbraw/zinc/71/77/73/721717773.db2.gz	HDNVVBGTYYNOIK-QFIPXVFZSA-N	2	0	428.531	2.624	20	0		IFADRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2)cc1	ZINC001164939597	721930943	/nfs/dbraw/zinc/93/09/43/721930943.db2.gz	MWEWBZHDEPQTID-UHFFFAOYSA-N	2	0	437.588	2.787	20	0		IFADRP
Cc1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959930	722025297	/nfs/dbraw/zinc/02/52/97/722025297.db2.gz	JNTCLHXYAQKWLH-HYBUGGRVSA-N	2	0	438.576	2.704	20	0		IFADRP
Clc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c2c(n1)C[NH2+]CC2	ZINC001164960046	722059014	/nfs/dbraw/zinc/05/90/14/722059014.db2.gz	FSHDITAXORVOAW-UHFFFAOYSA-N	2	0	427.980	2.895	20	0		IFADRP
CCN(CC)c1ccnc([C@H]2COCCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)n1	ZINC001164999374	722227577	/nfs/dbraw/zinc/22/75/77/722227577.db2.gz	MDYDMVYSEYHCNT-HXUWFJFHSA-N	2	0	426.565	2.769	20	0		IFADRP
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(OCC4CC[NH2+]CC4)cn3)CC2)CC1	ZINC001164618023	719035328	/nfs/dbraw/zinc/03/53/28/719035328.db2.gz	QXOCUGJLNQYCIQ-UHFFFAOYSA-N	2	0	430.593	2.704	20	0		IFADRP
C[NH+]1CCC(Oc2ccnc(N(c3ncccc3F)[C@@H]3CO[C@]4(CC[NH2+]C4)C3)c2)CC1	ZINC001164691395	719761130	/nfs/dbraw/zinc/76/11/30/719761130.db2.gz	OKAOLAALPIBZML-GAJHUEQPSA-N	2	0	427.524	2.748	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c2)CC1	ZINC001164728406	720503730	/nfs/dbraw/zinc/50/37/30/720503730.db2.gz	FPBPSWZJLNTGON-URXFXBBRSA-N	2	0	437.544	2.574	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)c2)CC1	ZINC001164885339	721352725	/nfs/dbraw/zinc/35/27/25/721352725.db2.gz	PRPNOCHQTRNUDU-NFBKMPQASA-N	2	0	436.556	2.532	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)[nH+]cc21	ZINC001164891594	721430918	/nfs/dbraw/zinc/43/09/18/721430918.db2.gz	HETZHXNQPSAMKZ-UUOWRZLLSA-N	2	0	441.576	2.505	20	0		IFADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2	ZINC001164783596	721463936	/nfs/dbraw/zinc/46/39/36/721463936.db2.gz	DOGXXCGJNJLKCE-QFIPXVFZSA-N	2	0	444.620	2.652	20	0		IFADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1	ZINC001164795655	721521506	/nfs/dbraw/zinc/52/15/06/721521506.db2.gz	QGMZZCYIXJBJFI-HSZRJFAPSA-N	2	0	437.636	2.983	20	0		IFADRP
Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1	ZINC001164906415	721566553	/nfs/dbraw/zinc/56/65/53/721566553.db2.gz	IVIKPPAEVSIBNP-NZQKXSOJSA-N	2	0	426.536	2.941	20	0		IFADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@@H]21	ZINC001165022104	721828799	/nfs/dbraw/zinc/82/87/99/721828799.db2.gz	GHOUCFULZLMTPY-AKIFATBCSA-N	2	0	436.604	2.987	20	0		IFADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]21	ZINC001165022108	721828924	/nfs/dbraw/zinc/82/89/24/721828924.db2.gz	GHOUCFULZLMTPY-YMPZKCBVSA-N	2	0	436.604	2.987	20	0		IFADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@H]21	ZINC001165022106	721828935	/nfs/dbraw/zinc/82/89/35/721828935.db2.gz	GHOUCFULZLMTPY-MDNUFGMLSA-N	2	0	436.604	2.987	20	0		IFADRP
Cc1ccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959944	722025341	/nfs/dbraw/zinc/02/53/41/722025341.db2.gz	KAPHHEPEEORWSJ-YADARESESA-N	2	0	438.576	2.702	20	0		IFADRP
Cc1ccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959943	722025364	/nfs/dbraw/zinc/02/53/64/722025364.db2.gz	KAPHHEPEEORWSJ-NTKDMRAZSA-N	2	0	438.576	2.702	20	0		IFADRP
c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@H]3C2)c1	ZINC001164982280	722134942	/nfs/dbraw/zinc/13/49/42/722134942.db2.gz	RMJTUAAUZAQDET-XZOQPEGZSA-N	2	0	437.588	2.679	20	0		IFADRP
Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC[C@H]32)cs1	ZINC001164986202	722184569	/nfs/dbraw/zinc/18/45/69/722184569.db2.gz	DORSCTWLEBVZQF-NHCUHLMSSA-N	2	0	442.633	2.644	20	0		IFADRP
CC(C)N(c1cc(C[NH+](C)C)ccn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2	ZINC001164998825	722220650	/nfs/dbraw/zinc/22/06/50/722220650.db2.gz	LTWXAXUGKZAXHG-UHFFFAOYSA-N	2	0	436.604	2.913	20	0		IFADRP
Clc1ncc2c(c1N1CCOCC13C[NH2+]C3)COC21CC[NH+](Cc2ccccc2)CC1	ZINC001164401513	718860440	/nfs/dbraw/zinc/86/04/40/718860440.db2.gz	FYYXJEKPOADIOD-UHFFFAOYSA-N	2	0	440.975	2.935	20	0		IFADRP
Cn1ncc2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C[C@@H]2COc1cccnc1	ZINC001164683399	719599799	/nfs/dbraw/zinc/59/97/99/719599799.db2.gz	FUOZTVWGQZPQKR-GOSISDBHSA-N	2	0	434.544	2.866	20	0		IFADRP
c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1	ZINC001164736731	720666257	/nfs/dbraw/zinc/66/62/57/720666257.db2.gz	AUGTZTLOVPLYCV-XZOQPEGZSA-N	2	0	442.567	2.772	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)c2)CC1	ZINC001164885349	721352693	/nfs/dbraw/zinc/35/26/93/721352693.db2.gz	PRPNOCHQTRNUDU-REWPJTCUSA-N	2	0	436.556	2.532	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)c2)CC1	ZINC001164793554	721488108	/nfs/dbraw/zinc/48/81/08/721488108.db2.gz	SOQHOHBHWXMOTK-GAJHUEQPSA-N	2	0	428.508	2.621	20	0		IFADRP
FC1(F)CCN(c2nc(Cl)nc3c2CC[NH2+]C3)C[C@@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164906961	721587535	/nfs/dbraw/zinc/58/75/35/721587535.db2.gz	PNGCJLVIZFDYIJ-FQEVSTJZSA-N	2	0	434.922	2.908	20	0		IFADRP
CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164924431	721836893	/nfs/dbraw/zinc/83/68/93/721836893.db2.gz	MNXUAALBZAAKMA-DVECYGJZSA-N	2	0	438.576	2.609	20	0		IFADRP
CN(CC1CC[NH+](C)CC1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@H](CO)C1	ZINC001165043386	721935950	/nfs/dbraw/zinc/93/59/50/721935950.db2.gz	VIUUSAUDEWOEHH-IBGZPJMESA-N	2	0	431.625	2.658	20	0		IFADRP
C[NH+]1CCC(Oc2ccnc(N(c3ncccc3F)[C@@H]3CO[C@@]4(CC[NH2+]C4)C3)c2)CC1	ZINC001164691397	719760184	/nfs/dbraw/zinc/76/01/84/719760184.db2.gz	OKAOLAALPIBZML-SBUREZEXSA-N	2	0	427.524	2.748	20	0		IFADRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC3)cs1	ZINC001164692178	719811508	/nfs/dbraw/zinc/81/15/08/719811508.db2.gz	MZIWDAOMERMHHY-UHFFFAOYSA-N	2	0	440.617	2.527	20	0		IFADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2	ZINC001164839342	720713636	/nfs/dbraw/zinc/71/36/36/720713636.db2.gz	LEQOWXKTORONQW-OAQYLSRUSA-N	2	0	437.588	2.867	20	0		IFADRP
C[NH+]1CCC(Oc2ccnc(N(Cc3cnc4n3CC[NH2+]CC4)c3ccccn3)c2)CC1	ZINC001164771278	721041055	/nfs/dbraw/zinc/04/10/55/721041055.db2.gz	ZXQXFKGEPYFGGS-UHFFFAOYSA-N	2	0	433.560	2.630	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4OCCN(C(=O)c5ccccc5)C[C@@H]4C3)c2)CC1	ZINC001164885347	721352627	/nfs/dbraw/zinc/35/26/27/721352627.db2.gz	PRPNOCHQTRNUDU-OFNKIYASSA-N	2	0	436.556	2.532	20	0		IFADRP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2	ZINC001164783593	721464200	/nfs/dbraw/zinc/46/42/00/721464200.db2.gz	DOGXXCGJNJLKCE-JOCHJYFZSA-N	2	0	444.620	2.652	20	0		IFADRP
FC1(F)CCN(c2nc(Cl)nc3c2C[NH2+]CC3)C[C@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164905183	721584118	/nfs/dbraw/zinc/58/41/18/721584118.db2.gz	UHXOCCNNQLRATR-HXUWFJFHSA-N	2	0	434.922	2.908	20	0		IFADRP
FC1(F)CCN(c2nc(Cl)nc3c2C[NH2+]CC3)C[C@@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164905182	721584283	/nfs/dbraw/zinc/58/42/83/721584283.db2.gz	UHXOCCNNQLRATR-FQEVSTJZSA-N	2	0	434.922	2.908	20	0		IFADRP
FC1(F)CCN(c2nc(Cl)nc3c2CC[NH2+]C3)C[C@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164906963	721587440	/nfs/dbraw/zinc/58/74/40/721587440.db2.gz	PNGCJLVIZFDYIJ-HXUWFJFHSA-N	2	0	434.922	2.908	20	0		IFADRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC3)C2)cc1	ZINC001164939837	721922990	/nfs/dbraw/zinc/92/29/90/721922990.db2.gz	NVUBUMNLHWVDPB-UHFFFAOYSA-N	2	0	427.980	2.956	20	0		IFADRP
C[NH+](C)CC1CCN(c2nccc(NC(=O)C(C)(C)C)c2C[N@@H+]2CC[C@H](CO)C2)CC1	ZINC001165045588	721947534	/nfs/dbraw/zinc/94/75/34/721947534.db2.gz	SFAXORBXSNMZOH-IBGZPJMESA-N	2	0	431.625	2.658	20	0		IFADRP
Cc1ccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959942	722025520	/nfs/dbraw/zinc/02/55/20/722025520.db2.gz	KAPHHEPEEORWSJ-DVECYGJZSA-N	2	0	438.576	2.702	20	0		IFADRP
c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2)c1	ZINC001164982279	722134781	/nfs/dbraw/zinc/13/47/81/722134781.db2.gz	RMJTUAAUZAQDET-PKTZIBPZSA-N	2	0	437.588	2.679	20	0		IFADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)nc1	ZINC001164656331	719327128	/nfs/dbraw/zinc/32/71/28/719327128.db2.gz	XAVRVFHVBOKFDC-IBGZPJMESA-N	2	0	433.578	2.619	20	0		IFADRP
Cc1cnc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C[NH3+])c1	ZINC001164684505	719675288	/nfs/dbraw/zinc/67/52/88/719675288.db2.gz	UKDDGWGBRSQKOU-HXUWFJFHSA-N	2	0	435.616	2.942	20	0		IFADRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164712565	720103287	/nfs/dbraw/zinc/10/32/87/720103287.db2.gz	XCOZUBCDTIUTFV-GOSISDBHSA-N	2	0	442.995	2.678	20	0		IFADRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2	ZINC001164711709	720132407	/nfs/dbraw/zinc/13/24/07/720132407.db2.gz	IBSZCRNVKVIAQK-QFIPXVFZSA-N	2	0	437.588	2.821	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4nccn4C[C@H](COCc4ccccn4)C3)c2)CC1	ZINC001164894754	721470431	/nfs/dbraw/zinc/47/04/31/721470431.db2.gz	YJYNFPPDNHGZEB-FQEVSTJZSA-N	2	0	448.571	2.999	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)c2)CC1	ZINC001164898879	721490509	/nfs/dbraw/zinc/49/05/09/721490509.db2.gz	IOUIZYZFMYXULX-GOSISDBHSA-N	2	0	428.577	2.599	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@@H]43)c2)CC1	ZINC001165018561	721782717	/nfs/dbraw/zinc/78/27/17/721782717.db2.gz	JBTHIXFRQFUBCE-ZDXQCDESSA-N	2	0	441.576	2.594	20	0		IFADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2CC[NH2+]C3)CC1	ZINC001165019349	721839092	/nfs/dbraw/zinc/83/90/92/721839092.db2.gz	DYNSDYDEKCTWME-UHFFFAOYSA-N	2	0	431.968	2.894	20	0		IFADRP
C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1	ZINC001164935329	721890251	/nfs/dbraw/zinc/89/02/51/721890251.db2.gz	VOKMZHJUYRONAU-MOPGFXCFSA-N	2	0	425.955	2.871	20	0		IFADRP
CN(CC1CC[NH+](C)CC1)c1nccc(NC(=O)C(C)(C)C)c1C[N@@H+]1CC[C@@H](CO)C1	ZINC001165043387	721935862	/nfs/dbraw/zinc/93/58/62/721935862.db2.gz	VIUUSAUDEWOEHH-LJQANCHMSA-N	2	0	431.625	2.658	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@@H]4C3)c2)CC1	ZINC001164974859	722090837	/nfs/dbraw/zinc/09/08/37/722090837.db2.gz	NVYAANNPPACOGT-DYESRHJHSA-N	2	0	442.585	2.554	20	0		IFADRP
Cc1nc(CN2CCO[C@@H]3CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC[C@@H]32)cs1	ZINC001164986199	722184509	/nfs/dbraw/zinc/18/45/09/722184509.db2.gz	DORSCTWLEBVZQF-LEWJYISDSA-N	2	0	442.633	2.644	20	0		IFADRP
Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC[C@H]32)cs1	ZINC001164986204	722184529	/nfs/dbraw/zinc/18/45/29/722184529.db2.gz	DORSCTWLEBVZQF-RTWAWAEBSA-N	2	0	442.633	2.644	20	0		IFADRP
Cc1cnc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)c(C[NH3+])c1	ZINC001164684502	719675450	/nfs/dbraw/zinc/67/54/50/719675450.db2.gz	UKDDGWGBRSQKOU-FQEVSTJZSA-N	2	0	435.616	2.942	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)N4CCCCC4)C3)c2)CC1	ZINC001164836698	720503137	/nfs/dbraw/zinc/50/31/37/720503137.db2.gz	NMXUBYVKHRKMLV-PTUXOGIPSA-N	2	0	442.604	2.799	20	0		IFADRP
c1ccc(C[N@@H+]2CCc3nc(N4CC[NH+]5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1	ZINC001164736727	720664487	/nfs/dbraw/zinc/66/44/87/720664487.db2.gz	AUGTZTLOVPLYCV-GOTSBHOMSA-N	2	0	442.567	2.772	20	0		IFADRP
c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1	ZINC001164748565	720875447	/nfs/dbraw/zinc/87/54/47/720875447.db2.gz	FXBJDUWFHCCLTH-JYFHCDHNSA-N	2	0	433.600	2.877	20	0		IFADRP
Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164751394	720939502	/nfs/dbraw/zinc/93/95/02/720939502.db2.gz	LXIYCGVMUDZFKY-JYFHCDHNSA-N	2	0	448.615	2.622	20	0		IFADRP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2	ZINC001164784513	721463663	/nfs/dbraw/zinc/46/36/63/721463663.db2.gz	IOOSVFOWYSDYGF-QFIPXVFZSA-N	2	0	443.636	2.678	20	0		IFADRP
CC(C)C(=O)N[C@@H]1COCCC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164899682	721502045	/nfs/dbraw/zinc/50/20/45/721502045.db2.gz	ZXOYAVWVSFNMNU-OAQYLSRUSA-N	2	0	430.593	2.702	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CCCO[C@H]21	ZINC001164807689	721588068	/nfs/dbraw/zinc/58/80/68/721588068.db2.gz	PMKLVOSRWCSOTQ-GIFXNVAJSA-N	2	0	437.588	2.818	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164801727	721590677	/nfs/dbraw/zinc/59/06/77/721590677.db2.gz	FKWWVVPMZMEXQA-VDKIKQQVSA-N	2	0	437.588	2.723	20	0		IFADRP
C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907346	721712695	/nfs/dbraw/zinc/71/26/95/721712695.db2.gz	RAJALEUGRAUAOB-HSZRJFAPSA-N	2	0	442.558	2.966	20	0		IFADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc3c2C[NH2+]CC3)CC1	ZINC001165017850	721837601	/nfs/dbraw/zinc/83/76/01/721837601.db2.gz	QTGZOZHSNATVQC-UHFFFAOYSA-N	2	0	431.968	2.894	20	0		IFADRP
Cc1ccc(N(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959941	722025411	/nfs/dbraw/zinc/02/54/11/722025411.db2.gz	KAPHHEPEEORWSJ-CYFREDJKSA-N	2	0	438.576	2.702	20	0		IFADRP
c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)CC[C@@H]3C2)c1	ZINC001164982275	722135039	/nfs/dbraw/zinc/13/50/39/722135039.db2.gz	RMJTUAAUZAQDET-DHIUTWEWSA-N	2	0	437.588	2.679	20	0		IFADRP
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4c(n3)CC[NH2+]C4)CC2)c2ccccc21	ZINC001164681408	719659755	/nfs/dbraw/zinc/65/97/55/719659755.db2.gz	NVEYPTMZHGEDLX-NRFANRHFSA-N	2	0	447.627	2.821	20	0		IFADRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cccc(N3CCOCC3)[nH+]1)CC2	ZINC001164711708	720133357	/nfs/dbraw/zinc/13/33/57/720133357.db2.gz	IBSZCRNVKVIAQK-JOCHJYFZSA-N	2	0	437.588	2.821	20	0		IFADRP
C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1	ZINC001164820607	720307697	/nfs/dbraw/zinc/30/76/97/720307697.db2.gz	HWMSWQJCYUBFCT-PMACEKPBSA-N	2	0	447.027	2.509	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]cc21	ZINC001164831968	720335485	/nfs/dbraw/zinc/33/54/85/720335485.db2.gz	SMUNJSONMCCPLB-NHCUHLMSSA-N	2	0	439.560	2.651	20	0		IFADRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2	ZINC001164843385	720702010	/nfs/dbraw/zinc/70/20/10/720702010.db2.gz	OZXTVRBJHAWBDN-QFIPXVFZSA-N	2	0	436.604	2.664	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]cc21	ZINC001164745785	720844619	/nfs/dbraw/zinc/84/46/19/720844619.db2.gz	NKEXCFJMQRPXRG-NPPFBWRTSA-N	2	0	449.559	2.711	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]cc21	ZINC001164745782	720844687	/nfs/dbraw/zinc/84/46/87/720844687.db2.gz	NKEXCFJMQRPXRG-JBYIUTFZSA-N	2	0	449.559	2.711	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4cncn4C[C@@H](COc4cccnc4)C3)c2)CC1	ZINC001164770629	721276579	/nfs/dbraw/zinc/27/65/79/721276579.db2.gz	VELAIIFRENQVHW-IBGZPJMESA-N	2	0	434.544	2.862	20	0		IFADRP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N4CCOCC4)[nH+]3)C2)C1	ZINC001164780318	721360320	/nfs/dbraw/zinc/36/03/20/721360320.db2.gz	GBAYHXCDZXTMIU-XMMPIXPASA-N	2	0	441.576	2.642	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)c2)CC1	ZINC001164898880	721490543	/nfs/dbraw/zinc/49/05/43/721490543.db2.gz	IOUIZYZFMYXULX-SFHVURJKSA-N	2	0	428.577	2.599	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@H]12	ZINC001164801714	721590952	/nfs/dbraw/zinc/59/09/52/721590952.db2.gz	FKWWVVPMZMEXQA-ARNLJNQMSA-N	2	0	437.588	2.723	20	0		IFADRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(OCC4CC[NH2+]CC4)nn3)C[C@@H]21	ZINC001165022102	721828921	/nfs/dbraw/zinc/82/89/21/721828921.db2.gz	GHOUCFULZLMTPY-ACIOBRDBSA-N	2	0	436.604	2.987	20	0		IFADRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(N3CC[NH2+]CC3)cn2)CC1	ZINC001165020501	721842431	/nfs/dbraw/zinc/84/24/31/721842431.db2.gz	FFRKDLHUNONJDF-UHFFFAOYSA-N	2	0	425.577	2.609	20	0		IFADRP
Cc1ccc(N(c2cccc(OCC[NH+]3CCCC3)n2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1	ZINC001164959934	722025367	/nfs/dbraw/zinc/02/53/67/722025367.db2.gz	JNTCLHXYAQKWLH-YKSBVNFPSA-N	2	0	438.576	2.704	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@@H]43)c2)CC1	ZINC001164956841	722030092	/nfs/dbraw/zinc/03/00/92/722030092.db2.gz	KHECXTRNBTXXFW-VWPQPMDRSA-N	2	0	428.508	2.904	20	0		IFADRP
Cc1nc(CN2CCO[C@H]3CCN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CC[C@@H]32)cs1	ZINC001164986207	722184506	/nfs/dbraw/zinc/18/45/06/722184506.db2.gz	DORSCTWLEBVZQF-SFTDATJTSA-N	2	0	442.633	2.644	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCc4onc(C(=O)Nc5cccnc5)c4C3)c2)CC1	ZINC001165001714	722248243	/nfs/dbraw/zinc/24/82/43/722248243.db2.gz	UBBNJDJEGSAKFG-UHFFFAOYSA-N	2	0	434.500	2.753	20	0		IFADRP
CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(c1cccc(OCC[NH+]3CCCC3)n1)C2	ZINC001164615934	719009801	/nfs/dbraw/zinc/00/98/01/719009801.db2.gz	JVCDIEJGPUQNOQ-NBGIEHNGSA-N	2	0	442.604	2.706	20	0		IFADRP
CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164614262	719011286	/nfs/dbraw/zinc/01/12/86/719011286.db2.gz	DTSMSYKWMWBISM-BWKNWUBXSA-N	3	0	442.604	2.704	20	0		IFADRP
C[NH+]1CCC(Oc2ccnc(N(c3ncccc3F)[C@H]3CO[C@]4(CC[NH2+]C4)C3)c2)CC1	ZINC001164691398	719760710	/nfs/dbraw/zinc/76/07/10/719760710.db2.gz	OKAOLAALPIBZML-UZUQRXQVSA-N	2	0	427.524	2.748	20	0		IFADRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2	ZINC001164712568	720103178	/nfs/dbraw/zinc/10/31/78/720103178.db2.gz	XCOZUBCDTIUTFV-SFHVURJKSA-N	2	0	442.995	2.678	20	0		IFADRP
C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1	ZINC001164820612	720307967	/nfs/dbraw/zinc/30/79/67/720307967.db2.gz	HWMSWQJCYUBFCT-UXHICEINSA-N	2	0	447.027	2.509	20	0		IFADRP
c1cncc(COC[C@H]2C[N@H+](CC3CC3)C[C@@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1	ZINC001164748569	720875669	/nfs/dbraw/zinc/87/56/69/720875669.db2.gz	FXBJDUWFHCCLTH-ZEQKJWHPSA-N	2	0	433.600	2.877	20	0		IFADRP
c1cncc(COC[C@@H]2C[N@H+](CC3CC3)C[C@]23CCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1	ZINC001164748567	720875909	/nfs/dbraw/zinc/87/59/09/720875909.db2.gz	FXBJDUWFHCCLTH-OZXSUGGESA-N	2	0	433.600	2.877	20	0		IFADRP
c1nc2n(c1CN(c1ccccn1)c1cccc(OCC[NH+]3CCCC3)n1)CC[NH2+]CC2	ZINC001164760275	721041418	/nfs/dbraw/zinc/04/14/18/721041418.db2.gz	CLHLWKQDQBOUDV-UHFFFAOYSA-N	2	0	433.560	2.632	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4nccn4C[C@@H](COCc4ccccn4)C3)c2)CC1	ZINC001164894756	721470448	/nfs/dbraw/zinc/47/04/48/721470448.db2.gz	YJYNFPPDNHGZEB-HXUWFJFHSA-N	2	0	448.571	2.999	20	0		IFADRP
Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CC[N@@H+]3C2)c1	ZINC001164906414	721566154	/nfs/dbraw/zinc/56/61/54/721566154.db2.gz	IVIKPPAEVSIBNP-NFBKMPQASA-N	2	0	426.536	2.941	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@@H]2CCCO[C@H]12	ZINC001164801723	721590612	/nfs/dbraw/zinc/59/06/12/721590612.db2.gz	FKWWVVPMZMEXQA-OYRHQHFDSA-N	2	0	437.588	2.723	20	0		IFADRP
[NH3+]C1CCN(c2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907807	721714382	/nfs/dbraw/zinc/71/43/82/721714382.db2.gz	UHXJVMQRDQSKPI-JOCHJYFZSA-N	2	0	443.546	2.537	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@H]43)c2)CC1	ZINC001165018555	721782160	/nfs/dbraw/zinc/78/21/60/721782160.db2.gz	JBTHIXFRQFUBCE-AKFKNWHVSA-N	2	0	441.576	2.594	20	0		IFADRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc(N5CCC([NH3+])CC5)n4)CC3)C2)cc1	ZINC001164938652	721928984	/nfs/dbraw/zinc/92/89/84/721928984.db2.gz	CUJPSFVBXHZCGC-UHFFFAOYSA-N	2	0	436.604	2.584	20	0		IFADRP
C[NH+]1CCC(Oc2ccnc(N(c3ncccc3F)[C@H]3CO[C@@]4(CC[NH2+]C4)C3)c2)CC1	ZINC001164691396	719761437	/nfs/dbraw/zinc/76/14/37/719761437.db2.gz	OKAOLAALPIBZML-HXOBKFHXSA-N	2	0	427.524	2.748	20	0		IFADRP
C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1C[NH2+]CC2	ZINC001164850240	720805546	/nfs/dbraw/zinc/80/55/46/720805546.db2.gz	VBIDKAIUTDLLTA-HNNXBMFYSA-N	2	0	428.968	2.787	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@H]12	ZINC001164802957	721571360	/nfs/dbraw/zinc/57/13/60/721571360.db2.gz	IXIGVJGLSQQYRP-RQTOMXEWSA-N	2	0	437.588	2.819	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CCCO[C@H]12	ZINC001164807691	721588362	/nfs/dbraw/zinc/58/83/62/721588362.db2.gz	PMKLVOSRWCSOTQ-LSQMVHIFSA-N	2	0	437.588	2.818	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(OCC3CC[NH2+]CC3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164801718	721590695	/nfs/dbraw/zinc/59/06/95/721590695.db2.gz	FKWWVVPMZMEXQA-JBRSBNLGSA-N	2	0	437.588	2.723	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H]4[C@H]3CC[C@@H]4OCCCn3cccn3)c2)CC1	ZINC001165018558	721782533	/nfs/dbraw/zinc/78/25/33/721782533.db2.gz	JBTHIXFRQFUBCE-GPXNEJASSA-N	2	0	441.576	2.594	20	0		IFADRP
C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1	ZINC001164935332	721890233	/nfs/dbraw/zinc/89/02/33/721890233.db2.gz	VOKMZHJUYRONAU-RTBURBONSA-N	2	0	425.955	2.871	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](Oc5ncccc5F)CC[C@H]43)c2)CC1	ZINC001164956837	722030008	/nfs/dbraw/zinc/03/00/08/722030008.db2.gz	KHECXTRNBTXXFW-SJBKTWHCSA-N	2	0	428.508	2.904	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](Oc5ncccc5F)CC[C@@H]43)c2)CC1	ZINC001164956835	722030154	/nfs/dbraw/zinc/03/01/54/722030154.db2.gz	KHECXTRNBTXXFW-ONTIZHBOSA-N	2	0	428.508	2.904	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@]4(CCCN(C(=O)c5ccco5)C4)C3)c2)CC1	ZINC001165000700	722250077	/nfs/dbraw/zinc/25/00/77/722250077.db2.gz	JOBQFVWHMZCPGR-XMMPIXPASA-N	2	0	440.544	2.659	20	0		IFADRP
[NH3+]C1CCN(c2cccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH+]2)CC1	ZINC001164698355	719897129	/nfs/dbraw/zinc/89/71/29/719897129.db2.gz	RWZPVHGGOBLXOU-UHFFFAOYSA-N	3	0	427.618	2.942	20	0		IFADRP
CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1	ZINC001164725476	720317104	/nfs/dbraw/zinc/31/71/04/720317104.db2.gz	VWWWXPOCJVNFEN-NRFANRHFSA-N	2	0	426.565	2.572	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]cc21	ZINC001164831970	720335269	/nfs/dbraw/zinc/33/52/69/720335269.db2.gz	SMUNJSONMCCPLB-SFTDATJTSA-N	2	0	439.560	2.651	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)c2)CC1	ZINC001164728404	720503948	/nfs/dbraw/zinc/50/39/48/720503948.db2.gz	FPBPSWZJLNTGON-QPPBQGQZSA-N	2	0	437.544	2.574	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)c2)CC1	ZINC001164793555	721488281	/nfs/dbraw/zinc/48/82/81/721488281.db2.gz	SOQHOHBHWXMOTK-HXOBKFHXSA-N	2	0	428.508	2.621	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCN(c4nnc(C(F)(F)F)s4)CC3)c2)CC1	ZINC001165051976	721999736	/nfs/dbraw/zinc/99/97/36/721999736.db2.gz	LFQJEVZCGGLIBZ-UHFFFAOYSA-N	2	0	428.484	2.752	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c2)CC1	ZINC001164975489	722152573	/nfs/dbraw/zinc/15/25/73/722152573.db2.gz	TXMBPPPAKSXDKO-ZJSXRUAMSA-N	3	0	437.588	2.677	20	0		IFADRP
Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(N4CC[NH+](C)CC4)nn2)CC3)cs1	ZINC001164692938	719803944	/nfs/dbraw/zinc/80/39/44/719803944.db2.gz	QQBGHWHEUBYXEA-UHFFFAOYSA-N	2	0	427.622	2.628	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)[nH+]cc21	ZINC001164831967	720335373	/nfs/dbraw/zinc/33/53/73/720335373.db2.gz	SMUNJSONMCCPLB-LEWJYISDSA-N	2	0	439.560	2.651	20	0		IFADRP
CCOC(=O)c1c[nH]c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)[nH+]cc21	ZINC001164745784	720844426	/nfs/dbraw/zinc/84/44/26/720844426.db2.gz	NKEXCFJMQRPXRG-NJNPRVFISA-N	2	0	449.559	2.711	20	0		IFADRP
C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]ccc3c1ccn3Cc1ccccc1)CC2	ZINC001164752329	720957530	/nfs/dbraw/zinc/95/75/30/720957530.db2.gz	WIHDWGVDBWEIDJ-UHFFFAOYSA-N	2	0	444.539	2.927	20	0		IFADRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)COCC[NH+](CC(=O)N(C)C)C3)nc1	ZINC001164875743	721291725	/nfs/dbraw/zinc/29/17/25/721291725.db2.gz	GIFOILUHTVBNKH-JOCHJYFZSA-N	2	0	443.636	2.636	20	0		IFADRP
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc(OCC[NH+]3CCCC3)n2)[C@@H]2CCCO[C@@H]12	ZINC001164802959	721571322	/nfs/dbraw/zinc/57/13/22/721571322.db2.gz	IXIGVJGLSQQYRP-TZBSWOFLSA-N	2	0	437.588	2.819	20	0		IFADRP
FC1(F)CCN(c2ccc(N3CC[NH2+]CC3)cn2)C[C@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164905530	721717467	/nfs/dbraw/zinc/71/74/67/721717467.db2.gz	HDNVVBGTYYNOIK-JOCHJYFZSA-N	2	0	428.531	2.624	20	0		IFADRP
FC1(F)CCN(c2ccc(OC3CC[NH2+]CC3)nn2)C[C@@]12CC[N@H+](Cc1ccccn1)C2	ZINC001164911756	721725864	/nfs/dbraw/zinc/72/58/64/721725864.db2.gz	KEZGFZOMAJIALU-QFIPXVFZSA-N	2	0	444.530	2.740	20	0		IFADRP
CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164924432	721836850	/nfs/dbraw/zinc/83/68/50/721836850.db2.gz	MNXUAALBZAAKMA-NTKDMRAZSA-N	2	0	438.576	2.609	20	0		IFADRP
C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1	ZINC001164935330	721890242	/nfs/dbraw/zinc/89/02/42/721890242.db2.gz	VOKMZHJUYRONAU-OALUTQOASA-N	2	0	425.955	2.871	20	0		IFADRP
CCN(CC)c1ccnc([C@@H]2COCCN2c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)n1	ZINC001164999373	722227617	/nfs/dbraw/zinc/22/76/17/722227617.db2.gz	MDYDMVYSEYHCNT-FQEVSTJZSA-N	2	0	426.565	2.769	20	0		IFADRP
c1csc(C[N@@H+]2CCOC3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2)c1	ZINC001164706936	719898429	/nfs/dbraw/zinc/89/84/29/719898429.db2.gz	LVBFNQRPJDJUKS-UHFFFAOYSA-N	2	0	429.590	2.540	20	0		IFADRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2	ZINC001164843384	720700737	/nfs/dbraw/zinc/70/07/37/720700737.db2.gz	OZXTVRBJHAWBDN-JOCHJYFZSA-N	2	0	436.604	2.664	20	0		IFADRP
COCC[N@@H+]1CCO[C@@H]2CN(c3ccc4c(n3)CC[NH+](Cc3ccccc3)C4)CC[C@H]2C1	ZINC001164857126	720846780	/nfs/dbraw/zinc/84/67/80/720846780.db2.gz	XQLDTOBAJQCSNE-UKILVPOCSA-N	2	0	436.600	2.813	20	0		IFADRP
Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C1C[NH2+]C1	ZINC001164751393	720939746	/nfs/dbraw/zinc/93/97/46/720939746.db2.gz	LXIYCGVMUDZFKY-BVAGGSTKSA-N	2	0	448.615	2.622	20	0		IFADRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1	ZINC001164754838	720969032	/nfs/dbraw/zinc/96/90/32/720969032.db2.gz	YHAQQSHDRRGCHT-HXUWFJFHSA-N	2	0	440.592	2.861	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)c2)CC1	ZINC001164793556	721488196	/nfs/dbraw/zinc/48/81/96/721488196.db2.gz	SOQHOHBHWXMOTK-SBUREZEXSA-N	2	0	428.508	2.621	20	0		IFADRP
CC(C)C(=O)N[C@H]1COCCC12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2	ZINC001164899679	721502310	/nfs/dbraw/zinc/50/23/10/721502310.db2.gz	ZXOYAVWVSFNMNU-NRFANRHFSA-N	2	0	430.593	2.702	20	0		IFADRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1	ZINC001164795656	721521384	/nfs/dbraw/zinc/52/13/84/721521384.db2.gz	QGMZZCYIXJBJFI-QHCPKHFHSA-N	2	0	437.636	2.983	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](OCCCn5cccn5)CC[C@@H]43)c2)CC1	ZINC001165018556	721782578	/nfs/dbraw/zinc/78/25/78/721782578.db2.gz	JBTHIXFRQFUBCE-FIXSFTCYSA-N	2	0	441.576	2.594	20	0		IFADRP
CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2	ZINC001164924430	721836954	/nfs/dbraw/zinc/83/69/54/721836954.db2.gz	MNXUAALBZAAKMA-CYFREDJKSA-N	2	0	438.576	2.609	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)c2)CC1	ZINC001164950406	721980879	/nfs/dbraw/zinc/98/08/79/721980879.db2.gz	SYPUZKKJXRVILS-UHFFFAOYSA-N	2	0	449.599	2.526	20	0		IFADRP
C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c2)CC1	ZINC001164975486	722153004	/nfs/dbraw/zinc/15/30/04/722153004.db2.gz	TXMBPPPAKSXDKO-QPPBQGQZSA-N	3	0	437.588	2.677	20	0		IFADRP