smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCCNc1nc(NCCC[NH+](CC)CC)nc(NC23CC4CC(CC(C4)C2)C3)n1	ZINC000029039273	561989596	/nfs/dbraw/zinc/98/95/96/561989596.db2.gz	PBQGHODTGZCGRB-UHFFFAOYSA-N	2	3	542.861	6.100	1	0		KKAFHP
CC[C@@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000058540966	562698924	/nfs/dbraw/zinc/69/89/24/562698924.db2.gz	XBKHTHKBQDTZPE-LFQBJWFLSA-N	2	3	619.902	5.723	1	0		KKAFHP
CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000066123514	562712531	/nfs/dbraw/zinc/71/25/31/562712531.db2.gz	ZXMKGUQSCOBXGD-PIGLOVQCSA-N	2	3	640.748	6.234	3	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000095612955	562785933	/nfs/dbraw/zinc/78/59/33/562785933.db2.gz	CISZZHPGYPWFDW-CHDFXNRKSA-N	2	3	769.923	8.406	1	0		KKAFHP
CCSc1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(SCC)cc2)cc1	ZINC000169337223	562859995	/nfs/dbraw/zinc/85/99/95/562859995.db2.gz	XMWMAYBWFZPWCE-UHFFFAOYSA-N	2	3	556.810	5.092	1	0		KKAFHP
COc1ccccc1N1CCN(C2C[C@H]3CC([NH2+]C4C[C@H]5CC([NH+]6CCN(c7ccccc7OC)CC6)C[C@@H]5C4)C[C@@H]3C2)CC1	ZINC000027304048	561849254	/nfs/dbraw/zinc/84/92/54/561849254.db2.gz	MLMPITXUNSOGFE-KCTFYKLOSA-N	2	3	613.891	5.352	1	0		KKAFHP
COc1ccccc1N1CCN(C2C[C@@H]3CC([NH2+]C4C[C@@H]5CC([NH+]6CCN(c7ccccc7OC)CC6)C[C@H]5C4)C[C@H]3C2)CC1	ZINC000027304048	561849256	/nfs/dbraw/zinc/84/92/56/561849256.db2.gz	MLMPITXUNSOGFE-KCTFYKLOSA-N	2	3	613.891	5.352	1	0		KKAFHP
COc1ccccc1CNCc1ccc(C[NH2+]CCCCCCCC[NH2+]Cc2ccc(CNCc3ccccc3OC)cc2)cc1	ZINC000027563314	561871338	/nfs/dbraw/zinc/87/13/38/561871338.db2.gz	CCIVIQGIPYQBMS-UHFFFAOYSA-N	2	3	622.898	7.503	1	0		KKAFHP
CN1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	ZINC000028861771	561971723	/nfs/dbraw/zinc/97/17/23/561971723.db2.gz	NUIIOTTUCXJKCG-ZPGRZCPFSA-N	2	3	540.840	6.621	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049780081	562681304	/nfs/dbraw/zinc/68/13/04/562681304.db2.gz	ZHNVEXZKXNWTHM-FXRCYNNESA-N	2	3	725.911	7.980	1	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=[NH2+]	ZINC000058609094	562700991	/nfs/dbraw/zinc/70/09/91/562700991.db2.gz	RFAPAGLZKXSKCD-SPWOZAQASA-N	2	3	631.913	5.867	1	0		KKAFHP
[NH3+]CCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCN1CCCC1	ZINC000095539696	562755227	/nfs/dbraw/zinc/75/52/27/562755227.db2.gz	LTPVZSWFAVYBIG-BCRBLDSWSA-N	2	3	811.806	6.039	1	0		KKAFHP
[NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1cccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c21)C(=O)NCCN1CCCC1	ZINC000095607876	562783224	/nfs/dbraw/zinc/78/32/24/562783224.db2.gz	KGKNHASRAYVNOV-ZPGRZCPFSA-N	2	3	797.779	5.649	1	0		KKAFHP
CC[C@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000144021863	562835683	/nfs/dbraw/zinc/83/56/83/562835683.db2.gz	XBKHTHKBQDTZPE-OMRBPYCYSA-N	2	3	619.902	5.513	1	0		KKAFHP
CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000162169861	562849239	/nfs/dbraw/zinc/84/92/39/562849239.db2.gz	IZCZXQSGSYYKSO-TWHRXLCVSA-N	2	3	761.944	8.423	1	0		KKAFHP
CSc1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCCNCc2ccc(SC)cc2)cc1	ZINC000027648849	561876271	/nfs/dbraw/zinc/87/62/71/561876271.db2.gz	KULCDRIDMTWPDN-UHFFFAOYSA-N	2	3	530.892	6.310	1	0		KKAFHP
c1ccc(-c2ccccc2CNCCC[NH2+]CCCNCCC[NH2+]Cc2ccccc2-c2ccccc2)cc1	ZINC000034893355	562044011	/nfs/dbraw/zinc/04/40/11/562044011.db2.gz	VMSXOJFAOPXPFB-UHFFFAOYSA-N	2	3	520.765	6.250	1	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=[NH2+]	ZINC000049793456	562684857	/nfs/dbraw/zinc/68/48/57/562684857.db2.gz	XSVALKFJZFDBQU-YKKXUYLKSA-N	2	3	659.967	6.647	1	0		KKAFHP
CCC[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1CC(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000064586116	562708787	/nfs/dbraw/zinc/70/87/87/562708787.db2.gz	IVHAEOHIIYNCPQ-SYQUUIDJSA-N	2	3	640.748	6.378	3	0		KKAFHP
CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2C(C)C)C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1	ZINC000066148484	562713613	/nfs/dbraw/zinc/71/36/13/562713613.db2.gz	HLJVKFVYBQDSAX-ISVKHVEWSA-N	2	3	592.704	5.647	3	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=[NH2+]	ZINC000058540964	562698915	/nfs/dbraw/zinc/69/89/15/562698915.db2.gz	KFACEZJIBWZGJP-BSUMSBOOSA-N	2	3	659.967	6.647	1	0		KKAFHP
CCCSc1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(SCCC)cc2)cc1	ZINC000169337241	562859968	/nfs/dbraw/zinc/85/99/68/562859968.db2.gz	SAQWOUJQTDGCJC-UHFFFAOYSA-N	2	3	584.864	5.873	1	0		KKAFHP
CCCCCSc1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(SCCCCC)cc2)cc1	ZINC000169337230	562859983	/nfs/dbraw/zinc/85/99/83/562859983.db2.gz	UMUYBAVVESGQLE-UHFFFAOYSA-N	2	3	640.972	7.433	1	0		KKAFHP
CC[NH+](CC)CCC[C@H](C)Nc1ccnc2ccc(NC(=O)C(=O)Nc3ccc4nccc(N[C@@H](C)CCC[NH+](CC)CC)c4c3)cc21	ZINC000026160528	561768586	/nfs/dbraw/zinc/76/85/86/561768586.db2.gz	BJAHSSRTDMJHKT-NSOVKSMOSA-N	2	3	654.904	7.205	1	0		KKAFHP
Fc1cccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1	ZINC000049793512	562684908	/nfs/dbraw/zinc/68/49/08/562684908.db2.gz	GNBNJHANHQQZGE-XQGRUXGKSA-N	2	3	673.965	6.189	1	0		KKAFHP
Fc1cccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1	ZINC000049793512	562684909	/nfs/dbraw/zinc/68/49/09/562684909.db2.gz	GNBNJHANHQQZGE-XQGRUXGKSA-N	2	3	673.965	6.189	1	0		KKAFHP
NC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CC1CCCC1	ZINC000049793867	562685270	/nfs/dbraw/zinc/68/52/70/562685270.db2.gz	BVNSDTYUINCBIH-ZQWQDMLBSA-N	2	3	581.893	5.202	1	0		KKAFHP
[NH3+]C[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CC1CCCC1	ZINC000049793867	562685271	/nfs/dbraw/zinc/68/52/71/562685271.db2.gz	BVNSDTYUINCBIH-ZQWQDMLBSA-N	2	3	581.893	5.202	1	0		KKAFHP
CN1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCCN5C)c4)cc3)cc2)c1	ZINC000058498827	562698272	/nfs/dbraw/zinc/69/82/72/562698272.db2.gz	VXJOOTNFWSEXEQ-XPSQVAKYSA-N	2	3	560.830	6.728	1	0		KKAFHP
CCC[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000072128632	562726132	/nfs/dbraw/zinc/72/61/32/562726132.db2.gz	ADDCSLGAZPGRHH-GZXHTMMISA-N	2	3	674.765	6.574	3	0		KKAFHP
[NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1cccc2c1c(C[NH+]1CCCC1)cn2Cc1c(Cl)cccc1Cl)C(=O)NCCN1CCCC1	ZINC000095539676	562755185	/nfs/dbraw/zinc/75/51/85/562755185.db2.gz	SSFAFRVEKKGDMY-PXLJZGITSA-N	2	3	797.779	5.649	1	0		KKAFHP
[NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCN1CCCC1	ZINC000095541689	562756266	/nfs/dbraw/zinc/75/62/66/562756266.db2.gz	RIJAAKYEDMTTFZ-ZPGRZCPFSA-N	2	3	797.779	5.649	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049780080	562681313	/nfs/dbraw/zinc/68/13/13/562681313.db2.gz	ZHNVEXZKXNWTHM-NRVMUHNNSA-N	2	3	725.911	7.980	1	0		KKAFHP
CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000049780087	562681371	/nfs/dbraw/zinc/68/13/71/562681371.db2.gz	RMUPNRJFGFALOJ-QCHNSLHVSA-N	2	3	685.846	7.200	1	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=[NH2+]	ZINC000049802961	562686004	/nfs/dbraw/zinc/68/60/04/562686004.db2.gz	KFACEZJIBWZGJP-YKKXUYLKSA-N	2	3	659.967	6.647	1	0		KKAFHP
CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1	ZINC000066123356	562712467	/nfs/dbraw/zinc/71/24/67/562712467.db2.gz	ZEXXHGZCQOTQRI-REAZVSRJSA-N	2	3	612.694	5.597	3	0		KKAFHP
CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1	ZINC000066123546	562712512	/nfs/dbraw/zinc/71/25/12/562712512.db2.gz	OWSMUBKIKILYGC-RZZQBKOKSA-N	2	3	578.677	5.401	3	0		KKAFHP
CCC[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000066138773	562713375	/nfs/dbraw/zinc/71/33/75/562713375.db2.gz	ZVEYVJHSYHNOSH-OZIPUQOZSA-N	2	3	640.748	6.378	3	0		KKAFHP
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc(NC(=O)C(=O)Nc3ccc4nccc(N[C@H](C)CCC[NH+](CC)CC)c4c3)cc21	ZINC000026160535	561768565	/nfs/dbraw/zinc/76/85/65/561768565.db2.gz	BJAHSSRTDMJHKT-VSGBNLITSA-N	2	3	654.904	7.205	1	0		KKAFHP
C[C@@H](N)C(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](C)N)c3SCC[NH3+])c2)c1SCC[NH3+]	ZINC000049778351	562681252	/nfs/dbraw/zinc/68/12/52/562681252.db2.gz	OUTNYNQSKKGABP-FGZHOGPDSA-N	2	3	751.036	5.459	1	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=[NH2+]	ZINC000049780515	562681786	/nfs/dbraw/zinc/68/17/86/562681786.db2.gz	RFAPAGLZKXSKCD-ZQWQDMLBSA-N	2	3	631.913	5.867	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049817535	562686824	/nfs/dbraw/zinc/68/68/24/562686824.db2.gz	ZHNVEXZKXNWTHM-KIORWJHZSA-N	2	3	725.911	7.980	1	0		KKAFHP
CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000058685409	562701541	/nfs/dbraw/zinc/70/15/41/562701541.db2.gz	RMUPNRJFGFALOJ-ZEWQTRQVSA-N	2	3	685.846	7.200	1	0		KKAFHP
CC(C)[C@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+]	ZINC000066102907	562711509	/nfs/dbraw/zinc/71/15/09/562711509.db2.gz	FUXHIPGFKSLPTJ-RACKDBBVSA-N	2	3	563.879	5.264	3	0		KKAFHP
C[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+]	ZINC000066123404	562712442	/nfs/dbraw/zinc/71/24/42/562712442.db2.gz	LJMVLBUUPQXAJD-JWDVHEBFSA-N	2	3	583.869	5.215	3	0		KKAFHP
COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(N1CCCN(C)CC1)nc2NC1CC[NH+](C2CCCCC2)CC1	ZINC000072118184	562723462	/nfs/dbraw/zinc/72/34/62/562723462.db2.gz	IIMUZXZNXNSSBG-UHFFFAOYSA-N	2	3	593.861	5.244	1	0		KKAFHP
CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000095615043	562787029	/nfs/dbraw/zinc/78/70/29/562787029.db2.gz	IZCZXQSGSYYKSO-MDOFDWFASA-N	2	3	761.944	8.423	1	0		KKAFHP
Clc1ccc(CNCCC[NH2+]CCCCCCCC[NH2+]CCCNCc2ccc(Cl)cc2)cc1	ZINC000027650794	561876609	/nfs/dbraw/zinc/87/66/09/561876609.db2.gz	WCDHSWNZABELAC-UHFFFAOYSA-N	2	3	507.594	6.173	1	0		KKAFHP
Cc1ccc(N2CCN(C(=O)[C@@H]3CN(C4CC[NH+](CC(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1	ZINC000028824142	561969129	/nfs/dbraw/zinc/96/91/29/561969129.db2.gz	KTWJIKZJTCIIJJ-MVIDNBQJSA-N	2	3	594.288	5.789	1	0		KKAFHP
CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000049942237	562695377	/nfs/dbraw/zinc/69/53/77/562695377.db2.gz	BVWCYHRUYZIHDM-BINWWWHHSA-N	2	3	729.858	7.626	1	0		KKAFHP
CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc(NC(=O)C(=O)Nc3ccc4nccc(N[C@@H](C)CCC[NH+](CC)CC)c4c3)cc21	ZINC000026160520	561768594	/nfs/dbraw/zinc/76/85/94/561768594.db2.gz	BJAHSSRTDMJHKT-HNRBIFIRSA-N	2	3	654.904	7.205	1	0		KKAFHP
c1ccc2c(c1)cccc2CNCCC[NH2+]CCCCCCCC[NH2+]CCCNCc1cccc2ccccc21	ZINC000027644540	561875657	/nfs/dbraw/zinc/87/56/57/561875657.db2.gz	FOGODOQYAPIXIL-UHFFFAOYSA-N	2	3	538.824	7.172	1	0		KKAFHP
c1ccc(-c2ccccc2CNCCC[NH2+]CCCC[NH2+]CCCNCc2ccccc2-c2ccccc2)cc1	ZINC000034893611	562044105	/nfs/dbraw/zinc/04/41/05/562044105.db2.gz	JAYQJSQCIORXBX-UHFFFAOYSA-N	2	3	534.792	6.640	1	0		KKAFHP
CN1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCCN5C)c4)cc3)cc2)c1	ZINC000049757241	562675757	/nfs/dbraw/zinc/67/57/57/562675757.db2.gz	VXJOOTNFWSEXEQ-MAZIBIHTSA-N	2	3	560.830	6.728	1	0		KKAFHP
CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000049780086	562681359	/nfs/dbraw/zinc/68/13/59/562681359.db2.gz	RMUPNRJFGFALOJ-ZWZQZIPJSA-N	2	3	685.846	7.200	1	0		KKAFHP
CC(C)CCCN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000058506527	562698359	/nfs/dbraw/zinc/69/83/59/562698359.db2.gz	SPJRZFQSMUVKQV-ZQWQDMLBSA-N	2	3	633.929	6.113	1	0		KKAFHP
CCC[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1CC(C)C)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000066111873	562711906	/nfs/dbraw/zinc/71/19/06/562711906.db2.gz	DYYNTQLJPFNDIM-MKUCVZMMSA-N	2	3	606.731	6.181	3	0		KKAFHP
CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000066113117	562712167	/nfs/dbraw/zinc/71/21/67/562712167.db2.gz	FWEGLSILLSAIEM-BENTYHEHSA-N	2	3	612.694	5.597	3	0		KKAFHP
CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000095606914	562782528	/nfs/dbraw/zinc/78/25/28/562782528.db2.gz	IZCZXQSGSYYKSO-GOFGAPPUSA-N	2	3	761.944	8.423	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000095606941	562782534	/nfs/dbraw/zinc/78/25/34/562782534.db2.gz	CISZZHPGYPWFDW-UWLBBLPVSA-N	2	3	769.923	8.406	1	0		KKAFHP
C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(CNCc3ccc4c(c3)CO[C@@]4(CCC[NH+](C)C)c3ccc(F)cc3)ccc21	ZINC000103245960	562819782	/nfs/dbraw/zinc/81/97/82/562819782.db2.gz	IEHAMLTURQLYEH-ZAQUEYBZSA-N	2	3	639.831	7.486	1	0		KKAFHP
CCCCSc1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(SCCCC)cc2)cc1	ZINC000169337225	562859991	/nfs/dbraw/zinc/85/99/91/562859991.db2.gz	WHDVDFHFOQVSAE-UHFFFAOYSA-N	2	3	612.918	6.653	1	0		KKAFHP
CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCCN3C)c2)c1	ZINC000029489728	562029231	/nfs/dbraw/zinc/02/92/31/562029231.db2.gz	XTJHNJARPZHDSR-HEVIKAOCSA-N	2	3	520.850	7.176	1	0		KKAFHP
C/C=C1\[C@H]2C=C(C)C[C@]1(N)C[C@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2(C)C	ZINC000036286964	562054685	/nfs/dbraw/zinc/05/46/85/562054685.db2.gz	VQEZQHKNDTXZIP-JGUQNTGPSA-N	2	3	514.802	7.474	1	0		KKAFHP
CC[C@@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000049802962	562686008	/nfs/dbraw/zinc/68/60/08/562686008.db2.gz	XBKHTHKBQDTZPE-ODGOSVICSA-N	2	3	619.902	5.723	1	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=[NH2+]	ZINC000058538245	562698819	/nfs/dbraw/zinc/69/88/19/562698819.db2.gz	XSVALKFJZFDBQU-BSUMSBOOSA-N	2	3	659.967	6.647	1	0		KKAFHP
C[C@H](COC(=O)NCCC[NH2+]CCCC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000058548203	562699073	/nfs/dbraw/zinc/69/90/73/562699073.db2.gz	PLHIOSXZSRYDER-DDKBJGPJSA-N	2	3	505.788	5.087	1	0		KKAFHP
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCCCCC[NH3+])cc3)ccc2n1	ZINC000071317796	562718288	/nfs/dbraw/zinc/71/82/88/562718288.db2.gz	AAEIJYARJYLTIS-UHFFFAOYSA-N	2	3	567.778	7.126	1	0		KKAFHP
C[NH+](C)CCCNCCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1	ZINC000096258045	562792804	/nfs/dbraw/zinc/79/28/04/562792804.db2.gz	GQMOUDKJIKBGEC-UHFFFAOYSA-N	2	3	631.225	5.436	1	0		KKAFHP
CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000162169268	562849255	/nfs/dbraw/zinc/84/92/55/562849255.db2.gz	IZCZXQSGSYYKSO-NBRFXYHLSA-N	2	3	761.944	8.423	1	0		KKAFHP
CC(C)(C)c1ccc(C[NH2+]CCCC[NH2+]CCCNCCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1	ZINC000029052477	561994589	/nfs/dbraw/zinc/99/45/89/561994589.db2.gz	GXOFIMVJGVZIDZ-UHFFFAOYSA-N	2	3	600.852	5.354	1	0		KKAFHP
[NH3+]CCCCCC[NH2+]C[C@@H]1CN(CCc2c[nH]c3ccccc23)C[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	ZINC000029405306	562020585	/nfs/dbraw/zinc/02/05/85/562020585.db2.gz	PAQVLRWXMDPGMP-QPCXHTPLSA-N	2	3	598.832	5.283	1	0		KKAFHP
NC[C@H](Cc1ccc2ccccc2c1)[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1	ZINC000049767959	562677762	/nfs/dbraw/zinc/67/77/62/562677762.db2.gz	GFRIHXLMTCPWCG-ITMZJIMRSA-N	2	3	653.959	6.408	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049942251	562695391	/nfs/dbraw/zinc/69/53/91/562695391.db2.gz	ZHNVEXZKXNWTHM-GYMSUEAGSA-N	2	3	725.911	7.980	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049942265	562695407	/nfs/dbraw/zinc/69/54/07/562695407.db2.gz	ZHNVEXZKXNWTHM-SKQHJFOWSA-N	2	3	725.911	7.980	1	0		KKAFHP
CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+]	ZINC000066113193	562712182	/nfs/dbraw/zinc/71/21/82/562712182.db2.gz	CBLCXALBXLEYGL-WZFJQBBKSA-N	2	3	549.852	5.018	3	0		KKAFHP
CCC[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+]	ZINC000066166202	562714054	/nfs/dbraw/zinc/71/40/54/562714054.db2.gz	XRJBVWFHDHOWJP-SKXFTCKDSA-N	2	3	611.923	5.995	3	0		KKAFHP
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCCC[NH3+])cc3)ccc2n1	ZINC000071296443	562717493	/nfs/dbraw/zinc/71/74/93/562717493.db2.gz	ZHKPGCJXEUAHBK-UHFFFAOYSA-N	2	3	539.724	6.346	1	0		KKAFHP
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCCCC[NH3+])cc3)ccc2n1	ZINC000071296998	562717681	/nfs/dbraw/zinc/71/76/81/562717681.db2.gz	RZYZZBRLERPXRY-UHFFFAOYSA-N	2	3	553.751	6.736	1	0		KKAFHP
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCC[NH3+])cc3)ccc2n1	ZINC000071329942	562719036	/nfs/dbraw/zinc/71/90/36/562719036.db2.gz	NMRVGZVEYKTXLI-UHFFFAOYSA-N	2	3	525.697	5.956	1	0		KKAFHP
C/C=C1\[C@H]2C=C(C)C[C@]1(N)C[C@@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2(C)C	ZINC000013704680	561725020	/nfs/dbraw/zinc/72/50/20/561725020.db2.gz	VQEZQHKNDTXZIP-FJTYTQLDSA-N	2	3	514.802	7.474	1	0		KKAFHP
c1ccc(C(CCNCCC[NH2+]CCCC[NH2+]CCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1	ZINC000043118134	562646026	/nfs/dbraw/zinc/64/60/26/562646026.db2.gz	XSAXSZCWJBODME-UHFFFAOYSA-N	2	3	533.804	7.370	1	0		KKAFHP
NC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)[NH2+]CCc1ccc(-c2ccccc2)cc1	ZINC000049771176	562677975	/nfs/dbraw/zinc/67/79/75/562677975.db2.gz	SEAPOIHTRUNNQK-AXYJRABVSA-N	2	3	679.997	6.922	1	0		KKAFHP
Fc1cccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1	ZINC000049793511	562684925	/nfs/dbraw/zinc/68/49/25/562684925.db2.gz	GNBNJHANHQQZGE-ITMZJIMRSA-N	2	3	673.965	6.189	1	0		KKAFHP
Fc1cccc(CCN2CCN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1	ZINC000049793511	562684926	/nfs/dbraw/zinc/68/49/26/562684926.db2.gz	GNBNJHANHQQZGE-ITMZJIMRSA-N	2	3	673.965	6.189	1	0		KKAFHP
C[C@H](COC(=O)NCCC[NH2+]CCCC[NH3+])[C@H]1CC[C@H]2[C@@H]3[C@H](F)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000058547859	562699082	/nfs/dbraw/zinc/69/90/82/562699082.db2.gz	OIPCQFIUICHTIS-NVBMJFCCSA-N	2	3	523.778	5.035	1	0		KKAFHP
CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000058562995	562699328	/nfs/dbraw/zinc/69/93/28/562699328.db2.gz	BVWCYHRUYZIHDM-AFQHYTHHSA-N	2	3	729.858	7.626	1	0		KKAFHP
CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1	ZINC000066148434	562713621	/nfs/dbraw/zinc/71/36/21/562713621.db2.gz	CQCAFCHBUMFWEZ-PQCPUKMBSA-N	2	3	606.731	6.037	3	0		KKAFHP
C[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000072127691	562725793	/nfs/dbraw/zinc/72/57/93/562725793.db2.gz	FVMRTXRMMXTDPD-NKIORRDJSA-N	2	3	646.711	5.794	3	0		KKAFHP
CC(C)[C@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000072127680	562725856	/nfs/dbraw/zinc/72/58/56/562725856.db2.gz	OFNPIDSWPNQWQB-IEFDIXSJSA-N	2	3	674.765	6.430	3	0		KKAFHP
CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000162168274	562849234	/nfs/dbraw/zinc/84/92/34/562849234.db2.gz	AUVBVPKFTGJIST-AANMMBORSA-N	2	3	805.956	8.848	1	0		KKAFHP
CC[C@H](C)CCN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000198226848	562872658	/nfs/dbraw/zinc/87/26/58/562872658.db2.gz	JOVYDFKTLBYDPY-HALLIMPHSA-N	2	3	633.929	5.904	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049942250	562695394	/nfs/dbraw/zinc/69/53/94/562695394.db2.gz	ZHNVEXZKXNWTHM-OPPLUPLLSA-N	2	3	725.911	7.980	1	0		KKAFHP
CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCCC1CCCC1	ZINC000066148839	562713687	/nfs/dbraw/zinc/71/36/87/562713687.db2.gz	BWQQKSJTJZNDTB-MULFSZDLSA-N	2	3	549.852	5.018	3	0		KKAFHP
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCC[NH3+])cc3)ccc2n1	ZINC000071315966	562717802	/nfs/dbraw/zinc/71/78/02/562717802.db2.gz	QAGXUEMUOSEVRU-UHFFFAOYSA-N	2	3	511.670	5.565	1	0		KKAFHP
C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(CNCc3ccc4c(c3)CO[C@]4(CCC[NH+](C)C)c3ccc(F)cc3)ccc21	ZINC000103245967	562819780	/nfs/dbraw/zinc/81/97/80/562819780.db2.gz	IEHAMLTURQLYEH-XRSDMRJBSA-N	2	3	639.831	7.486	1	0		KKAFHP
C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(CNCc3ccc4c(c3)CO[C@@]4(CCC[NH+](C)C)c3ccc(F)cc3)ccc21	ZINC000103245963	562819826	/nfs/dbraw/zinc/81/98/26/562819826.db2.gz	IEHAMLTURQLYEH-LQDDJWCHSA-N	2	3	639.831	7.486	1	0		KKAFHP
COc1cc(Cn2c(-c3ccc(OCC[NH+]4CCCC4)cc3)cc3cnccc32)ccc1C[NH+]1CCCC1	ZINC000026468927	561790103	/nfs/dbraw/zinc/79/01/03/561790103.db2.gz	FDKTZABKFYWJQJ-UHFFFAOYSA-N	2	3	510.682	5.831	1	0		KKAFHP
CN1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCCN5C)c4)cc3)cc2)c1	ZINC000049757242	562675791	/nfs/dbraw/zinc/67/57/91/562675791.db2.gz	VXJOOTNFWSEXEQ-UWXQCODUSA-N	2	3	560.830	6.728	1	0		KKAFHP
CC(C)CCCN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000049771177	562678002	/nfs/dbraw/zinc/67/80/02/562678002.db2.gz	SPJRZFQSMUVKQV-SPWOZAQASA-N	2	3	633.929	6.113	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049817531	562686833	/nfs/dbraw/zinc/68/68/33/562686833.db2.gz	ZHNVEXZKXNWTHM-HVMLWUFWSA-N	2	3	725.911	7.980	1	0		KKAFHP
CCC[C@@H](CN1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+]	ZINC000066136289	562713054	/nfs/dbraw/zinc/71/30/54/562713054.db2.gz	OEYJVVPXADZZGO-IHZBLBIESA-N	2	3	563.879	5.408	3	0		KKAFHP
CN1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCCN4C)c3)cc2)c1	ZINC000028861791	561971739	/nfs/dbraw/zinc/97/17/39/561971739.db2.gz	UBPMTQBRZZVPHI-HEVIKAOCSA-N	2	3	512.786	5.841	1	0		KKAFHP
O=[N+]1CCc2c3ccccc3[nH]c2C1=C1C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@H]4C=CCCCC[N@@H+]4[C@H]12)C3	ZINC000044351348	562654617	/nfs/dbraw/zinc/65/46/17/562654617.db2.gz	SPQVJBJQVWOEOF-AKCFSLPDSA-N	2	3	566.790	5.706	1	0		KKAFHP
O=[N+]1CCc2c3ccccc3[nH]c2C1=C1C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@H]4C=CCCCC[N@H+]4[C@H]12)C3	ZINC000044351348	562654618	/nfs/dbraw/zinc/65/46/18/562654618.db2.gz	SPQVJBJQVWOEOF-AKCFSLPDSA-N	2	3	566.790	5.706	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000049942266	562695423	/nfs/dbraw/zinc/69/54/23/562695423.db2.gz	ZHNVEXZKXNWTHM-IJERKEDCSA-N	2	3	725.911	7.980	1	0		KKAFHP
NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+]	ZINC000058468606	562697942	/nfs/dbraw/zinc/69/79/42/562697942.db2.gz	OCUVBNBZPYQEBS-SPWOZAQASA-N	2	3	722.809	7.227	1	0		KKAFHP
CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@H+](C)CCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2	ZINC000058638793	562701203	/nfs/dbraw/zinc/70/12/03/562701203.db2.gz	DLMKTWKCMCVAMJ-RPBOFIJWSA-N	2	3	628.692	9.201	1	0		KKAFHP
CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2	ZINC000058638793	562701204	/nfs/dbraw/zinc/70/12/04/562701204.db2.gz	DLMKTWKCMCVAMJ-RPBOFIJWSA-N	2	3	628.692	9.201	1	0		KKAFHP
CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000058685468	562701546	/nfs/dbraw/zinc/70/15/46/562701546.db2.gz	RMUPNRJFGFALOJ-DPGPWOJDSA-N	2	3	685.846	7.200	1	0		KKAFHP
CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000095540219	562755598	/nfs/dbraw/zinc/75/55/98/562755598.db2.gz	AUVBVPKFTGJIST-PRURZLHWSA-N	2	3	805.956	8.848	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000095612956	562785945	/nfs/dbraw/zinc/78/59/45/562785945.db2.gz	CISZZHPGYPWFDW-IVMGJWPSSA-N	2	3	769.923	8.406	1	0		KKAFHP
O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CC[NH2+]CCCN1CCCCC1)C1CCCCC1	ZINC000473090684	562897578	/nfs/dbraw/zinc/89/75/78/562897578.db2.gz	ACRRBPSGPZFHQR-UHFFFAOYSA-N	2	3	511.582	5.143	1	0		KKAFHP
CSc1ccc(CNCCC[NH2+]CCCCCCC[NH2+]CCCNCc2ccc(SC)cc2)cc1	ZINC000027642945	561875596	/nfs/dbraw/zinc/87/55/96/561875596.db2.gz	MQUJGWCQAPOSDI-UHFFFAOYSA-N	2	3	516.865	5.920	1	0		KKAFHP
CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@H+](C)CCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@H](C1)C2	ZINC000028523470	561930163	/nfs/dbraw/zinc/93/01/63/561930163.db2.gz	XGUXGMNSUSHHSV-IZZNHLLZSA-N	2	3	642.719	9.591	1	0	in-vivo	KKAFHP
CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCC[N@@H+](C)CCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@H](C1)C2	ZINC000028523470	561930165	/nfs/dbraw/zinc/93/01/65/561930165.db2.gz	XGUXGMNSUSHHSV-IZZNHLLZSA-N	2	3	642.719	9.591	1	0	in-vivo	KKAFHP
c1ccc(-c2ccccc2CNCCC[NH2+]CCCCCCC[NH2+]CCCNCc2ccccc2-c2ccccc2)cc1	ZINC000029345179	562016079	/nfs/dbraw/zinc/01/60/79/562016079.db2.gz	SMXBYDUXBBEQDB-UHFFFAOYSA-N	2	3	576.873	7.810	1	0		KKAFHP
CC(C)[NH2+]CCCN(CCCCN(CCC[NH2+]C(C)C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1	ZINC000043523788	562648861	/nfs/dbraw/zinc/64/88/61/562648861.db2.gz	HLXYDWIRUJCSDA-UHFFFAOYSA-N	2	3	566.878	7.854	1	0		KKAFHP
c1ccc2c(c1)[nH+]c1c(c2NCCCN2CCN(CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC2)CCCC1	ZINC000044281551	562653135	/nfs/dbraw/zinc/65/31/35/562653135.db2.gz	SBMAHPAASJBGAF-UHFFFAOYSA-N	2	3	562.806	6.462	1	0		KKAFHP
CC[C@@H](C)CCN1C(=[NH2+])N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1	ZINC000049775268	562679006	/nfs/dbraw/zinc/67/90/06/562679006.db2.gz	JOVYDFKTLBYDPY-HJIFFOSASA-N	2	3	633.929	6.113	1	0		KKAFHP
COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCCN(Cc3ccccc3)CC1)nc2NC1CC[NH+](C(C)C)CC1	ZINC000072118070	562723414	/nfs/dbraw/zinc/72/34/14/562723414.db2.gz	XUZDGFZXJNROCP-UHFFFAOYSA-N	2	3	615.867	5.500	1	0		KKAFHP
C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+]	ZINC000095606940	562782537	/nfs/dbraw/zinc/78/25/37/562782537.db2.gz	CISZZHPGYPWFDW-XMEMUAMXSA-N	2	3	769.923	8.406	1	0		KKAFHP