smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001500795164 1069315676 /nfs/dbraw/zinc/31/56/76/1069315676.db2.gz XPAPTUILGBNJSH-UHFFFAOYSA-N 2 2 455.611 1.557 20 0 JDADLP CCC[N@@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001500795164 1069315691 /nfs/dbraw/zinc/31/56/91/1069315691.db2.gz XPAPTUILGBNJSH-UHFFFAOYSA-N 2 2 455.611 1.557 20 0 JDADLP CCC[N@@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001500942876 1069335063 /nfs/dbraw/zinc/33/50/63/1069335063.db2.gz BEVVKUGRRDWNNB-MOPGFXCFSA-N 2 2 452.669 1.833 20 0 JDADLP CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001500942876 1069335085 /nfs/dbraw/zinc/33/50/85/1069335085.db2.gz BEVVKUGRRDWNNB-MOPGFXCFSA-N 2 2 452.669 1.833 20 0 JDADLP CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001500993876 1069349027 /nfs/dbraw/zinc/34/90/27/1069349027.db2.gz JOCBLAIUVSZUPO-JOCHJYFZSA-N 2 2 485.681 1.934 20 0 JDADLP CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001500993876 1069349047 /nfs/dbraw/zinc/34/90/47/1069349047.db2.gz JOCBLAIUVSZUPO-JOCHJYFZSA-N 2 2 485.681 1.934 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001501770069 1069627038 /nfs/dbraw/zinc/62/70/38/1069627038.db2.gz OXNHJDHWMVIWJP-HSZRJFAPSA-N 2 2 479.695 1.175 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001501770069 1069627054 /nfs/dbraw/zinc/62/70/54/1069627054.db2.gz OXNHJDHWMVIWJP-HSZRJFAPSA-N 2 2 479.695 1.175 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCOCC2)CC1 ZINC001501774406 1069634918 /nfs/dbraw/zinc/63/49/18/1069634918.db2.gz INCILUQPTYHDKE-UHFFFAOYSA-N 2 2 498.676 1.751 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCOCC2)CC1 ZINC001501774406 1069634944 /nfs/dbraw/zinc/63/49/44/1069634944.db2.gz INCILUQPTYHDKE-UHFFFAOYSA-N 2 2 498.676 1.751 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501783486 1069672792 /nfs/dbraw/zinc/67/27/92/1069672792.db2.gz LITUPFCBQHGKGR-UHFFFAOYSA-N 2 2 471.654 1.401 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001501783566 1069674673 /nfs/dbraw/zinc/67/46/73/1069674673.db2.gz NUFHCWXRDZOWEG-LJQANCHMSA-N 2 2 456.639 1.757 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501783566 1069674704 /nfs/dbraw/zinc/67/47/04/1069674704.db2.gz NUFHCWXRDZOWEG-LJQANCHMSA-N 2 2 456.639 1.757 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501792734 1069715645 /nfs/dbraw/zinc/71/56/45/1069715645.db2.gz CWJNAMIULMYRDT-NHCUHLMSSA-N 2 2 488.681 1.377 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC001501900185 1069761801 /nfs/dbraw/zinc/76/18/01/1069761801.db2.gz XYHYDWSSKHQYJK-HXUWFJFHSA-N 2 2 499.664 1.489 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001501906341 1069780937 /nfs/dbraw/zinc/78/09/37/1069780937.db2.gz AQWIEZOVWDEONB-HSZRJFAPSA-N 2 2 497.688 1.888 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001501906341 1069780981 /nfs/dbraw/zinc/78/09/81/1069780981.db2.gz AQWIEZOVWDEONB-HSZRJFAPSA-N 2 2 497.688 1.888 20 0 JDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241382 1069806223 /nfs/dbraw/zinc/80/62/23/1069806223.db2.gz NSHBPAHKCMTZDE-JOCHJYFZSA-N 2 2 459.635 1.813 20 0 JDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241382 1069806224 /nfs/dbraw/zinc/80/62/24/1069806224.db2.gz NSHBPAHKCMTZDE-JOCHJYFZSA-N 2 2 459.635 1.813 20 0 JDADLP O=C(CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)NCC[NH+]1CCCCCC1 ZINC001477411803 1069821124 /nfs/dbraw/zinc/82/11/24/1069821124.db2.gz RLKBDSBARFDDDC-UHFFFAOYSA-N 2 2 458.607 1.381 20 0 JDADLP COc1ccccc1[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001477469047 1069825452 /nfs/dbraw/zinc/82/54/52/1069825452.db2.gz RXKKKIOSZMYYSC-HXUWFJFHSA-N 2 2 452.621 1.640 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928395 1069878364 /nfs/dbraw/zinc/87/83/64/1069878364.db2.gz VOPIYLKGVOEJIQ-RBBKRZOGSA-N 2 2 450.027 1.869 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928395 1069878366 /nfs/dbraw/zinc/87/83/66/1069878366.db2.gz VOPIYLKGVOEJIQ-RBBKRZOGSA-N 2 2 450.027 1.869 20 0 JDADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001477963466 1069881810 /nfs/dbraw/zinc/88/18/10/1069881810.db2.gz VYGLJJQYZNKUKS-JOCHJYFZSA-N 2 2 457.619 1.445 20 0 JDADLP C[N@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC001478104955 1069897622 /nfs/dbraw/zinc/89/76/22/1069897622.db2.gz CCGNXWWWJUTBQQ-UHFFFAOYSA-N 2 2 457.554 1.416 20 0 JDADLP C[N@@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)Cc1ccc(F)cc1 ZINC001478104955 1069897623 /nfs/dbraw/zinc/89/76/23/1069897623.db2.gz CCGNXWWWJUTBQQ-UHFFFAOYSA-N 2 2 457.554 1.416 20 0 JDADLP C[N@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)Cc1ccc(F)cc1 ZINC001478104955 1069897624 /nfs/dbraw/zinc/89/76/24/1069897624.db2.gz CCGNXWWWJUTBQQ-UHFFFAOYSA-N 2 2 457.554 1.416 20 0 JDADLP C[N@@H+](CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)Cc1ccc(F)cc1 ZINC001478104955 1069897628 /nfs/dbraw/zinc/89/76/28/1069897628.db2.gz CCGNXWWWJUTBQQ-UHFFFAOYSA-N 2 2 457.554 1.416 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCN(C)S(=O)(=O)c3cccs3)CC2)CC1 ZINC001478253522 1069940822 /nfs/dbraw/zinc/94/08/22/1069940822.db2.gz ZECQBWHKXRARDL-UHFFFAOYSA-N 2 2 457.666 1.570 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCN(C)S(=O)(=O)c3cccs3)CC2)CC1 ZINC001478253522 1069940857 /nfs/dbraw/zinc/94/08/57/1069940857.db2.gz ZECQBWHKXRARDL-UHFFFAOYSA-N 2 2 457.666 1.570 20 0 JDADLP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001478354696 1069975958 /nfs/dbraw/zinc/97/59/58/1069975958.db2.gz GAKKYRWCPFGZLA-HXUWFJFHSA-N 2 2 452.644 1.349 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001502311123 1070078037 /nfs/dbraw/zinc/07/80/37/1070078037.db2.gz MZHKRKQQARAIFS-GOSISDBHSA-N 2 2 461.577 1.704 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001502312500 1070083069 /nfs/dbraw/zinc/08/30/69/1070083069.db2.gz NINNZHRHNWSOMB-OAQYLSRUSA-N 2 2 471.654 1.308 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001502312500 1070083082 /nfs/dbraw/zinc/08/30/82/1070083082.db2.gz NINNZHRHNWSOMB-OAQYLSRUSA-N 2 2 471.654 1.308 20 0 JDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134360 1070091969 /nfs/dbraw/zinc/09/19/69/1070091969.db2.gz VQXOYSQMXCXNGM-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134360 1070091988 /nfs/dbraw/zinc/09/19/88/1070091988.db2.gz VQXOYSQMXCXNGM-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134360 1070092009 /nfs/dbraw/zinc/09/20/09/1070092009.db2.gz VQXOYSQMXCXNGM-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134360 1070092030 /nfs/dbraw/zinc/09/20/30/1070092030.db2.gz VQXOYSQMXCXNGM-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502317702 1070123765 /nfs/dbraw/zinc/12/37/65/1070123765.db2.gz LWYYXKMMKSSHCS-UFYCRDLUSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502317702 1070123777 /nfs/dbraw/zinc/12/37/77/1070123777.db2.gz LWYYXKMMKSSHCS-UFYCRDLUSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502317701 1070124460 /nfs/dbraw/zinc/12/44/60/1070124460.db2.gz LWYYXKMMKSSHCS-SLFFLAALSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502317701 1070124471 /nfs/dbraw/zinc/12/44/71/1070124471.db2.gz LWYYXKMMKSSHCS-SLFFLAALSA-N 2 2 461.655 1.932 20 0 JDADLP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502317701 1070124482 /nfs/dbraw/zinc/12/44/82/1070124482.db2.gz LWYYXKMMKSSHCS-SLFFLAALSA-N 2 2 461.655 1.932 20 0 JDADLP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502317701 1070124500 /nfs/dbraw/zinc/12/45/00/1070124500.db2.gz LWYYXKMMKSSHCS-SLFFLAALSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162320 /nfs/dbraw/zinc/16/23/20/1070162320.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 2 457.671 1.696 20 0 JDADLP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162342 /nfs/dbraw/zinc/16/23/42/1070162342.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 2 457.671 1.696 20 0 JDADLP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162367 /nfs/dbraw/zinc/16/23/67/1070162367.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 2 457.671 1.696 20 0 JDADLP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162385 /nfs/dbraw/zinc/16/23/85/1070162385.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 2 457.671 1.696 20 0 JDADLP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)C2)CC1 ZINC001502332067 1070167862 /nfs/dbraw/zinc/16/78/62/1070167862.db2.gz CJTGAIAIGGWMSW-PMACEKPBSA-N 2 2 472.638 1.528 20 0 JDADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccco3)[NH+](C)C)C2)CC1 ZINC001502332068 1070170159 /nfs/dbraw/zinc/17/01/59/1070170159.db2.gz CJTGAIAIGGWMSW-UXHICEINSA-N 2 2 472.638 1.528 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c(C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CC1 ZINC001502337461 1070205039 /nfs/dbraw/zinc/20/50/39/1070205039.db2.gz IGFSQALGFYGDGI-IBGZPJMESA-N 2 2 457.671 1.533 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001502342944 1070232846 /nfs/dbraw/zinc/23/28/46/1070232846.db2.gz HCCJDLPPGRNVDZ-NHCUHLMSSA-N 2 2 495.738 1.374 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001502342943 1070232595 /nfs/dbraw/zinc/23/25/95/1070232595.db2.gz HCCJDLPPGRNVDZ-LEWJYISDSA-N 2 2 495.738 1.374 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345840 1070252831 /nfs/dbraw/zinc/25/28/31/1070252831.db2.gz GGFCJLBRNKGVHW-BHIFYINESA-N 2 2 463.671 1.560 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345840 1070252865 /nfs/dbraw/zinc/25/28/65/1070252865.db2.gz GGFCJLBRNKGVHW-BHIFYINESA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345840 1070252884 /nfs/dbraw/zinc/25/28/84/1070252884.db2.gz GGFCJLBRNKGVHW-BHIFYINESA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345840 1070252899 /nfs/dbraw/zinc/25/28/99/1070252899.db2.gz GGFCJLBRNKGVHW-BHIFYINESA-N 2 2 463.671 1.560 20 0 JDADLP CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001493807666 1070353253 /nfs/dbraw/zinc/35/32/53/1070353253.db2.gz BUCKLDRGIPKQCY-ZJSXRUAMSA-N 2 2 464.655 1.819 20 0 JDADLP CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001493807666 1070353268 /nfs/dbraw/zinc/35/32/68/1070353268.db2.gz BUCKLDRGIPKQCY-ZJSXRUAMSA-N 2 2 464.655 1.819 20 0 JDADLP C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001494097845 1070393333 /nfs/dbraw/zinc/39/33/33/1070393333.db2.gz XSCRPGAYFIUXHE-QHAWAJNXSA-N 2 2 464.655 1.828 20 0 JDADLP C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001494097845 1070393352 /nfs/dbraw/zinc/39/33/52/1070393352.db2.gz XSCRPGAYFIUXHE-QHAWAJNXSA-N 2 2 464.655 1.828 20 0 JDADLP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001495275256 1070800779 /nfs/dbraw/zinc/80/07/79/1070800779.db2.gz LAKGRWUDAGGHFL-VWPQPMDRSA-N 2 2 461.655 1.503 20 0 JDADLP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001495699800 1070816527 /nfs/dbraw/zinc/81/65/27/1070816527.db2.gz WVXQFFFSXUPVSI-OAQYLSRUSA-N 2 2 474.698 1.562 20 0 JDADLP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001495699800 1070816528 /nfs/dbraw/zinc/81/65/28/1070816528.db2.gz WVXQFFFSXUPVSI-OAQYLSRUSA-N 2 2 474.698 1.562 20 0 JDADLP COc1ccc(-c2nnc(N(C)CC[N@@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504167817 1070862344 /nfs/dbraw/zinc/86/23/44/1070862344.db2.gz FZQXMMBGNNWTQU-UHFFFAOYSA-N 2 2 499.660 1.665 20 0 JDADLP COc1ccc(-c2nnc(N(C)CC[N@H+]3CCOC(C)(C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC001504167817 1070862345 /nfs/dbraw/zinc/86/23/45/1070862345.db2.gz FZQXMMBGNNWTQU-UHFFFAOYSA-N 2 2 499.660 1.665 20 0 JDADLP CCOC1CC(Cn2c(C(C)C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)([NH+]2CCOCC2)C1 ZINC001502937457 1070893564 /nfs/dbraw/zinc/89/35/64/1070893564.db2.gz DGCGETASIHZIEI-UZGSZPBKSA-N 2 2 464.655 1.828 20 0 JDADLP CCOC1CC(Cn2c(C(C)C)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)([NH+]2CCOCC2)C1 ZINC001502937457 1070893567 /nfs/dbraw/zinc/89/35/67/1070893567.db2.gz DGCGETASIHZIEI-UZGSZPBKSA-N 2 2 464.655 1.828 20 0 JDADLP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1cc[nH+]c1C ZINC001503034336 1070990435 /nfs/dbraw/zinc/99/04/35/1070990435.db2.gz PSSTWVINDYWCLB-WIYYLYMNSA-N 2 2 458.611 1.399 20 0 JDADLP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503035900 1070998304 /nfs/dbraw/zinc/99/83/04/1070998304.db2.gz BWNNTSJTKOBJRI-FKBYEOEOSA-N 2 2 464.655 1.718 20 0 JDADLP COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](C)[NH+](C)C)CC2)cc1F ZINC001504285452 1071011794 /nfs/dbraw/zinc/01/17/94/1071011794.db2.gz FDORAURBMXHGRP-VQIMIIECSA-N 2 2 459.570 1.649 20 0 JDADLP COc1cccc([C@H](C)[NH+]2CCN(c3nnc(C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)c1 ZINC001504321489 1071055479 /nfs/dbraw/zinc/05/54/79/1071055479.db2.gz ASADAKFSXMMFSB-IBGZPJMESA-N 2 2 455.607 1.642 20 0 JDADLP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503109620 1071063987 /nfs/dbraw/zinc/06/39/87/1071063987.db2.gz MSYBVEAGCYHMGX-LEWJYISDSA-N 2 2 463.671 1.530 20 0 JDADLP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001503109620 1071063998 /nfs/dbraw/zinc/06/39/98/1071063998.db2.gz MSYBVEAGCYHMGX-LEWJYISDSA-N 2 2 463.671 1.530 20 0 JDADLP CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001503113022 1071071998 /nfs/dbraw/zinc/07/19/98/1071071998.db2.gz JBLZNVFDZURZTE-SFHVURJKSA-N 2 2 463.652 1.870 20 0 JDADLP COc1cccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)c1 ZINC001504343565 1071073462 /nfs/dbraw/zinc/07/34/62/1071073462.db2.gz UMIANGIEUNOOBH-LJQANCHMSA-N 2 2 455.607 1.648 20 0 JDADLP CCOCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503114011 1071074134 /nfs/dbraw/zinc/07/41/34/1071074134.db2.gz QVAASFGLXMFFOO-BGYRXZFFSA-N 2 2 488.681 1.986 20 0 JDADLP CCOCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503114011 1071074163 /nfs/dbraw/zinc/07/41/63/1071074163.db2.gz QVAASFGLXMFFOO-BGYRXZFFSA-N 2 2 488.681 1.986 20 0 JDADLP CCOCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001503114016 1071074217 /nfs/dbraw/zinc/07/42/17/1071074217.db2.gz QVAASFGLXMFFOO-WOJBJXKFSA-N 2 2 488.681 1.986 20 0 JDADLP COc1cccc(-c2nnc(N3CC[NH+](C(C)C)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)c1 ZINC001504344374 1071074524 /nfs/dbraw/zinc/07/45/24/1071074524.db2.gz YYDVCLDTBLKGOR-UHFFFAOYSA-N 2 2 455.607 1.648 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1CC ZINC001503217399 1071166877 /nfs/dbraw/zinc/16/68/77/1071166877.db2.gz YFIGOAZSFVGZAO-OAQYLSRUSA-N 2 2 484.649 1.961 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1CC ZINC001503217399 1071166887 /nfs/dbraw/zinc/16/68/87/1071166887.db2.gz YFIGOAZSFVGZAO-OAQYLSRUSA-N 2 2 484.649 1.961 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503215759 1071164341 /nfs/dbraw/zinc/16/43/41/1071164341.db2.gz JEIUZQCGCYAGTI-NHCUHLMSSA-N 2 2 477.654 1.172 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503218774 1071170967 /nfs/dbraw/zinc/17/09/67/1071170967.db2.gz RVRSDJOABQQECL-UHFFFAOYSA-N 2 2 491.040 1.316 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503219801 1071173310 /nfs/dbraw/zinc/17/33/10/1071173310.db2.gz QFAAMRJPUOGPRZ-SFTDATJTSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503219801 1071173319 /nfs/dbraw/zinc/17/33/19/1071173319.db2.gz QFAAMRJPUOGPRZ-SFTDATJTSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503219801 1071173329 /nfs/dbraw/zinc/17/33/29/1071173329.db2.gz QFAAMRJPUOGPRZ-SFTDATJTSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503219801 1071173333 /nfs/dbraw/zinc/17/33/33/1071173333.db2.gz QFAAMRJPUOGPRZ-SFTDATJTSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503222160 1071181227 /nfs/dbraw/zinc/18/12/27/1071181227.db2.gz XJRXPMMMMWHZFR-UFYCRDLUSA-N 2 2 477.654 1.276 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001503222680 1071183923 /nfs/dbraw/zinc/18/39/23/1071183923.db2.gz IGFWKHDJWXUXAM-VXKWHMMOSA-N 2 2 463.671 1.357 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223095 1071186592 /nfs/dbraw/zinc/18/65/92/1071186592.db2.gz LOCMLTDQCMTUAH-RTWAWAEBSA-N 2 2 450.628 1.299 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223965 1071190743 /nfs/dbraw/zinc/19/07/43/1071190743.db2.gz RGWCMVSKCOEFCX-LEWJYISDSA-N 2 2 450.628 1.297 20 0 JDADLP COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001504455054 1071228590 /nfs/dbraw/zinc/22/85/90/1071228590.db2.gz WAHFWWCOMQWSAE-INIZCTEOSA-N 2 2 463.608 1.405 20 0 JDADLP COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001504491570 1071268440 /nfs/dbraw/zinc/26/84/40/1071268440.db2.gz HMYWDNBIJYLQPD-LJQANCHMSA-N 2 2 496.722 1.990 20 0 JDADLP COC1CC[NH+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001504491468 1071267449 /nfs/dbraw/zinc/26/74/49/1071267449.db2.gz FMCMNJAIDGYNMD-LJQANCHMSA-N 2 2 450.628 1.440 20 0 JDADLP CN(C)CC[NH+]1CCC(Cn2c(-c3cccnc3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001503399387 1071659936 /nfs/dbraw/zinc/65/99/36/1071659936.db2.gz PMWDLBMFMFAYPB-UHFFFAOYSA-N 2 2 456.639 1.382 20 0 JDADLP COCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504855070 1071765466 /nfs/dbraw/zinc/76/54/66/1071765466.db2.gz MGYMJXDNPXSCNI-OAQYLSRUSA-N 2 2 469.634 1.656 20 0 JDADLP COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001504855070 1071765476 /nfs/dbraw/zinc/76/54/76/1071765476.db2.gz MGYMJXDNPXSCNI-OAQYLSRUSA-N 2 2 469.634 1.656 20 0 JDADLP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001504857972 1071781069 /nfs/dbraw/zinc/78/10/69/1071781069.db2.gz SMNMECGFPBSNTJ-MOPGFXCFSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001504857972 1071781076 /nfs/dbraw/zinc/78/10/76/1071781076.db2.gz SMNMECGFPBSNTJ-MOPGFXCFSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001504857972 1071781083 /nfs/dbraw/zinc/78/10/83/1071781083.db2.gz SMNMECGFPBSNTJ-MOPGFXCFSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001504857972 1071781092 /nfs/dbraw/zinc/78/10/92/1071781092.db2.gz SMNMECGFPBSNTJ-MOPGFXCFSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001504904753 1071844816 /nfs/dbraw/zinc/84/48/16/1071844816.db2.gz QEYHFDTZEOSLBK-IEBWSBKVSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001504904753 1071844822 /nfs/dbraw/zinc/84/48/22/1071844822.db2.gz QEYHFDTZEOSLBK-IEBWSBKVSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)C[C@H]1C ZINC001504909299 1071860261 /nfs/dbraw/zinc/86/02/61/1071860261.db2.gz BZYQCLPFJXWMRL-QGZVFWFLSA-N 2 2 496.454 1.915 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001504913157 1071872457 /nfs/dbraw/zinc/87/24/57/1071872457.db2.gz YWNFUQUIJFCNHB-UHFFFAOYSA-N 2 2 464.014 1.874 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001504915520 1071877948 /nfs/dbraw/zinc/87/79/48/1071877948.db2.gz UVZHMBFORMWMET-IBGZPJMESA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001504915520 1071877953 /nfs/dbraw/zinc/87/79/53/1071877953.db2.gz UVZHMBFORMWMET-IBGZPJMESA-N 2 2 490.052 1.920 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919085 1071888486 /nfs/dbraw/zinc/88/84/86/1071888486.db2.gz YAHVCODKXRDSHC-WOJBJXKFSA-N 2 2 476.025 1.954 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504923667 1071904419 /nfs/dbraw/zinc/90/44/19/1071904419.db2.gz TVLCSGFSDQXONC-WOJBJXKFSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504923667 1071904434 /nfs/dbraw/zinc/90/44/34/1071904434.db2.gz TVLCSGFSDQXONC-WOJBJXKFSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504923438 1071901792 /nfs/dbraw/zinc/90/17/92/1071901792.db2.gz VXMAIRONJFBKKH-HXUWFJFHSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504923438 1071901801 /nfs/dbraw/zinc/90/18/01/1071901801.db2.gz VXMAIRONJFBKKH-HXUWFJFHSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504923438 1071901810 /nfs/dbraw/zinc/90/18/10/1071901810.db2.gz VXMAIRONJFBKKH-HXUWFJFHSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504923438 1071901817 /nfs/dbraw/zinc/90/18/17/1071901817.db2.gz VXMAIRONJFBKKH-HXUWFJFHSA-N 2 2 457.623 1.532 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001503618956 1071907432 /nfs/dbraw/zinc/90/74/32/1071907432.db2.gz OQZDMMZHJQELHI-UHFFFAOYSA-N 2 2 458.655 1.846 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001503618956 1071907440 /nfs/dbraw/zinc/90/74/40/1071907440.db2.gz OQZDMMZHJQELHI-UHFFFAOYSA-N 2 2 458.655 1.846 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503618956 1071907456 /nfs/dbraw/zinc/90/74/56/1071907456.db2.gz OQZDMMZHJQELHI-UHFFFAOYSA-N 2 2 458.655 1.846 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2ccc[nH]2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503618956 1071907470 /nfs/dbraw/zinc/90/74/70/1071907470.db2.gz OQZDMMZHJQELHI-UHFFFAOYSA-N 2 2 458.655 1.846 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504925600 1071914253 /nfs/dbraw/zinc/91/42/53/1071914253.db2.gz FKQJFXAZBYTDTL-NJDAHSKKSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504925600 1071914258 /nfs/dbraw/zinc/91/42/58/1071914258.db2.gz FKQJFXAZBYTDTL-NJDAHSKKSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504926435 1071918735 /nfs/dbraw/zinc/91/87/35/1071918735.db2.gz QYZBKOKHGSIBAB-RTWAWAEBSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504926435 1071918742 /nfs/dbraw/zinc/91/87/42/1071918742.db2.gz QYZBKOKHGSIBAB-RTWAWAEBSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504926435 1071918753 /nfs/dbraw/zinc/91/87/53/1071918753.db2.gz QYZBKOKHGSIBAB-RTWAWAEBSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504926435 1071918757 /nfs/dbraw/zinc/91/87/57/1071918757.db2.gz QYZBKOKHGSIBAB-RTWAWAEBSA-N 2 2 460.627 1.017 20 0 JDADLP COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCn1cc[nH+]c1C ZINC001504945378 1071988761 /nfs/dbraw/zinc/98/87/61/1071988761.db2.gz NKFPTPDIWVVNBH-KNKQGSTJSA-N 2 2 488.637 1.196 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504986822 1072038328 /nfs/dbraw/zinc/03/83/28/1072038328.db2.gz GDSTUWALUNCMBM-NFBKMPQASA-N 2 2 482.695 1.740 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504987495 1072039577 /nfs/dbraw/zinc/03/95/77/1072039577.db2.gz JVJZHTLKBOUEIM-HXUWFJFHSA-N 2 2 473.622 1.812 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504988252 1072041801 /nfs/dbraw/zinc/04/18/01/1072041801.db2.gz MQFAFXDCTXDUQP-FQEVSTJZSA-N 2 2 473.622 1.812 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504994374 1072061654 /nfs/dbraw/zinc/06/16/54/1072061654.db2.gz KFIDRUKZUZIPQU-NHCUHLMSSA-N 2 2 494.681 1.802 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504994374 1072061664 /nfs/dbraw/zinc/06/16/64/1072061664.db2.gz KFIDRUKZUZIPQU-NHCUHLMSSA-N 2 2 494.681 1.802 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504998659 1072074168 /nfs/dbraw/zinc/07/41/68/1072074168.db2.gz ORHFIDWOIHKMGJ-UXHICEINSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001504998659 1072074175 /nfs/dbraw/zinc/07/41/75/1072074175.db2.gz ORHFIDWOIHKMGJ-UXHICEINSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001504998659 1072074180 /nfs/dbraw/zinc/07/41/80/1072074180.db2.gz ORHFIDWOIHKMGJ-UXHICEINSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001504998659 1072074189 /nfs/dbraw/zinc/07/41/89/1072074189.db2.gz ORHFIDWOIHKMGJ-UXHICEINSA-N 2 2 450.628 1.787 20 0 JDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001464728825 1067639430 /nfs/dbraw/zinc/63/94/30/1067639430.db2.gz JBZHELFNCSKHNI-UHFFFAOYSA-N 3 2 455.647 1.643 20 0 JDADLP CN(C(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843016 1067671758 /nfs/dbraw/zinc/67/17/58/1067671758.db2.gz FBUGDDJYLORSPT-FQEVSTJZSA-N 2 2 456.509 1.436 20 0 JDADLP CCOc1ccccc1C(F)(F)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843308 1067672370 /nfs/dbraw/zinc/67/23/70/1067672370.db2.gz HDNKVSWUHNFQKL-UHFFFAOYSA-N 2 2 452.546 1.874 20 0 JDADLP CN(C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464846554 1067674619 /nfs/dbraw/zinc/67/46/19/1067674619.db2.gz RMESAXLFKNCQID-MXVIHJGJSA-N 2 2 457.623 1.144 20 0 JDADLP CN(C(=O)Cc1ccc(NC(=O)C2CC2)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464846699 1067674695 /nfs/dbraw/zinc/67/46/95/1067674695.db2.gz TZNKCPKCPKJZBD-UHFFFAOYSA-N 2 2 455.603 1.274 20 0 JDADLP C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001464847432 1067675367 /nfs/dbraw/zinc/67/53/67/1067675367.db2.gz WNZNMADSBWZIIX-XMSQKQJNSA-N 2 2 455.603 1.592 20 0 JDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001464867146 1067678397 /nfs/dbraw/zinc/67/83/97/1067678397.db2.gz AEHCONVTSQRCBE-UHFFFAOYSA-N 2 2 450.381 1.643 20 0 JDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC001464867146 1067678400 /nfs/dbraw/zinc/67/84/00/1067678400.db2.gz AEHCONVTSQRCBE-UHFFFAOYSA-N 2 2 450.381 1.643 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C2)CC1 ZINC001465000370 1067724407 /nfs/dbraw/zinc/72/44/07/1067724407.db2.gz FAYKNMQMUCPRJJ-QUCCMNQESA-N 2 2 450.605 1.042 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C2)CC1 ZINC001465000370 1067724418 /nfs/dbraw/zinc/72/44/18/1067724418.db2.gz FAYKNMQMUCPRJJ-QUCCMNQESA-N 2 2 450.605 1.042 20 0 JDADLP CC(C)[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001465350957 1067785765 /nfs/dbraw/zinc/78/57/65/1067785765.db2.gz WSTUUPOXUWZAMZ-KCZVDYSFSA-N 2 2 452.640 1.197 20 0 JDADLP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cc(OC)c1 ZINC001465741821 1067825232 /nfs/dbraw/zinc/82/52/32/1067825232.db2.gz RCSWVJHVYVVLKL-LJQANCHMSA-N 2 2 458.563 1.629 20 0 JDADLP COc1cc(C[N@H+]2CC[C@@H](NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cc(OC)c1 ZINC001465741821 1067825235 /nfs/dbraw/zinc/82/52/35/1067825235.db2.gz RCSWVJHVYVVLKL-LJQANCHMSA-N 2 2 458.563 1.629 20 0 JDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001466042960 1067853232 /nfs/dbraw/zinc/85/32/32/1067853232.db2.gz YVEWGAYGZYRVDQ-IBGZPJMESA-N 2 2 452.625 1.540 20 0 JDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266764 1067873679 /nfs/dbraw/zinc/87/36/79/1067873679.db2.gz GLLCYCXXTPIEIA-LEWJYISDSA-N 2 2 458.603 1.551 20 0 JDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266764 1067873681 /nfs/dbraw/zinc/87/36/81/1067873681.db2.gz GLLCYCXXTPIEIA-LEWJYISDSA-N 2 2 458.603 1.551 20 0 JDADLP COc1ccc(CNS(C)(=O)=O)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001466589732 1067894122 /nfs/dbraw/zinc/89/41/22/1067894122.db2.gz BQACTUBVPXZZNK-UHFFFAOYSA-N 2 2 453.609 1.425 20 0 JDADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001467952753 1068112700 /nfs/dbraw/zinc/11/27/00/1068112700.db2.gz MLNHBDXSSDOWAL-NRFANRHFSA-N 2 2 453.591 1.571 20 0 JDADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001467952753 1068112717 /nfs/dbraw/zinc/11/27/17/1068112717.db2.gz MLNHBDXSSDOWAL-NRFANRHFSA-N 2 2 453.591 1.571 20 0 JDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001468501259 1068299454 /nfs/dbraw/zinc/29/94/54/1068299454.db2.gz SJAWNQKPRBLPGJ-ICSRJNTNSA-N 2 2 451.587 1.363 20 0 JDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC001468635959 1068329960 /nfs/dbraw/zinc/32/99/60/1068329960.db2.gz ITVKDSQZKWGRFT-UHFFFAOYSA-N 2 2 454.559 1.600 20 0 JDADLP COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC001468871484 1068384134 /nfs/dbraw/zinc/38/41/34/1068384134.db2.gz BLVRPLCBJIIODS-IBGZPJMESA-N 2 2 459.591 1.340 20 0 JDADLP COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC001468871484 1068384152 /nfs/dbraw/zinc/38/41/52/1068384152.db2.gz BLVRPLCBJIIODS-IBGZPJMESA-N 2 2 459.591 1.340 20 0 JDADLP COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)c1 ZINC001468874093 1068385788 /nfs/dbraw/zinc/38/57/88/1068385788.db2.gz XZHUWTFPSZHBPQ-HTAPYJJXSA-N 2 2 459.591 1.619 20 0 JDADLP COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)c1 ZINC001468874093 1068385807 /nfs/dbraw/zinc/38/58/07/1068385807.db2.gz XZHUWTFPSZHBPQ-HTAPYJJXSA-N 2 2 459.591 1.619 20 0 JDADLP C[C@H](CNC(=O)NCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001468996422 1068419043 /nfs/dbraw/zinc/41/90/43/1068419043.db2.gz WFKCDSZSHHHANE-HXUWFJFHSA-N 2 2 455.644 1.977 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001469128662 1068447272 /nfs/dbraw/zinc/44/72/72/1068447272.db2.gz DKZKQHZXKHQWJB-UHFFFAOYSA-N 2 2 457.040 1.979 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001469128662 1068447292 /nfs/dbraw/zinc/44/72/92/1068447292.db2.gz DKZKQHZXKHQWJB-UHFFFAOYSA-N 2 2 457.040 1.979 20 0 JDADLP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783643 1068588319 /nfs/dbraw/zinc/58/83/19/1068588319.db2.gz SYROTUQNENIJET-PMACEKPBSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783643 1068588325 /nfs/dbraw/zinc/58/83/25/1068588325.db2.gz SYROTUQNENIJET-PMACEKPBSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001470093688 1068690981 /nfs/dbraw/zinc/69/09/81/1068690981.db2.gz ICLNOJBYUQTABH-XXBNENTESA-N 2 2 453.591 1.836 20 0 JDADLP C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001470093688 1068691003 /nfs/dbraw/zinc/69/10/03/1068691003.db2.gz ICLNOJBYUQTABH-XXBNENTESA-N 2 2 453.591 1.836 20 0 JDADLP C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001470093687 1068691315 /nfs/dbraw/zinc/69/13/15/1068691315.db2.gz ICLNOJBYUQTABH-WMZHIEFXSA-N 2 2 453.591 1.836 20 0 JDADLP C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001470093687 1068691336 /nfs/dbraw/zinc/69/13/36/1068691336.db2.gz ICLNOJBYUQTABH-WMZHIEFXSA-N 2 2 453.591 1.836 20 0 JDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001471393895 1068861427 /nfs/dbraw/zinc/86/14/27/1068861427.db2.gz GONKWEJYGDBYEC-QHCPKHFHSA-N 2 2 459.635 1.767 20 0 JDADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001471393895 1068861429 /nfs/dbraw/zinc/86/14/29/1068861429.db2.gz GONKWEJYGDBYEC-QHCPKHFHSA-N 2 2 459.635 1.767 20 0 JDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001471393893 1068861505 /nfs/dbraw/zinc/86/15/05/1068861505.db2.gz GONKWEJYGDBYEC-HSZRJFAPSA-N 2 2 459.635 1.767 20 0 JDADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001471393893 1068861507 /nfs/dbraw/zinc/86/15/07/1068861507.db2.gz GONKWEJYGDBYEC-HSZRJFAPSA-N 2 2 459.635 1.767 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001499727014 1069057148 /nfs/dbraw/zinc/05/71/48/1069057148.db2.gz AUSYLOXUWFBFHP-YPAWHYETSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001499727014 1069057150 /nfs/dbraw/zinc/05/71/50/1069057150.db2.gz AUSYLOXUWFBFHP-YPAWHYETSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001499727014 1069057152 /nfs/dbraw/zinc/05/71/52/1069057152.db2.gz AUSYLOXUWFBFHP-YPAWHYETSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001499727014 1069057156 /nfs/dbraw/zinc/05/71/56/1069057156.db2.gz AUSYLOXUWFBFHP-YPAWHYETSA-N 2 2 496.722 1.848 20 0 JDADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219969 1069097432 /nfs/dbraw/zinc/09/74/32/1069097432.db2.gz OUXZKJREMJILLF-APWZRJJASA-N 2 2 456.559 1.214 20 0 JDADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219969 1069097443 /nfs/dbraw/zinc/09/74/43/1069097443.db2.gz OUXZKJREMJILLF-APWZRJJASA-N 2 2 456.559 1.214 20 0 JDADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219969 1069097449 /nfs/dbraw/zinc/09/74/49/1069097449.db2.gz OUXZKJREMJILLF-APWZRJJASA-N 2 2 456.559 1.214 20 0 JDADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219969 1069097462 /nfs/dbraw/zinc/09/74/62/1069097462.db2.gz OUXZKJREMJILLF-APWZRJJASA-N 2 2 456.559 1.214 20 0 JDADLP CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC001473234474 1069102994 /nfs/dbraw/zinc/10/29/94/1069102994.db2.gz SBZUUCRPYZXSDV-UHFFFAOYSA-N 2 2 450.649 1.822 20 0 JDADLP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473248525 1069105978 /nfs/dbraw/zinc/10/59/78/1069105978.db2.gz UOKUMWFBXHMJDR-PZJWPPBQSA-N 2 2 458.603 1.549 20 0 JDADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001473427783 1069146676 /nfs/dbraw/zinc/14/66/76/1069146676.db2.gz JYQKTDLNQRAJKU-QGZVFWFLSA-N 2 2 459.616 1.794 20 0 JDADLP O=S(=O)(NCCN1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1)c1ccccc1 ZINC001473671784 1069205951 /nfs/dbraw/zinc/20/59/51/1069205951.db2.gz KDTYITNCKRZIME-UHFFFAOYSA-N 2 2 458.628 1.615 20 0 JDADLP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001500270117 1069231596 /nfs/dbraw/zinc/23/15/96/1069231596.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 2 477.698 1.745 20 0 JDADLP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C)C(C)(C)C2)CC[N@H+]1CCOC ZINC001500270117 1069231608 /nfs/dbraw/zinc/23/16/08/1069231608.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 2 477.698 1.745 20 0 JDADLP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270117 1069231625 /nfs/dbraw/zinc/23/16/25/1069231625.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 2 477.698 1.745 20 0 JDADLP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270117 1069231641 /nfs/dbraw/zinc/23/16/41/1069231641.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 2 477.698 1.745 20 0 JDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc(NC(=O)CC[NH+]4CCOCC4)c3)cn2)CC1 ZINC001473940446 1069238342 /nfs/dbraw/zinc/23/83/42/1069238342.db2.gz CUGBVBHGQPXJNN-UHFFFAOYSA-N 3 2 453.591 1.179 20 0 JDADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC001474046379 1069238865 /nfs/dbraw/zinc/23/88/65/1069238865.db2.gz MUJVWUVEHJOWSI-UHFFFAOYSA-N 2 2 452.607 1.051 20 0 JDADLP CCCC[N@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001500403333 1069243928 /nfs/dbraw/zinc/24/39/28/1069243928.db2.gz BEEMGASQOCXIQZ-JOCHJYFZSA-N 2 2 488.681 1.342 20 0 JDADLP CCCC[N@@H+](C)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001500403333 1069243943 /nfs/dbraw/zinc/24/39/43/1069243943.db2.gz BEEMGASQOCXIQZ-JOCHJYFZSA-N 2 2 488.681 1.342 20 0 JDADLP CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001500413630 1069246356 /nfs/dbraw/zinc/24/63/56/1069246356.db2.gz LMBYYSNPCYNMIL-NRFANRHFSA-N 2 2 485.681 1.934 20 0 JDADLP CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001500413630 1069246371 /nfs/dbraw/zinc/24/63/71/1069246371.db2.gz LMBYYSNPCYNMIL-NRFANRHFSA-N 2 2 485.681 1.934 20 0 JDADLP CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001500417182 1069249033 /nfs/dbraw/zinc/24/90/33/1069249033.db2.gz KNAKZRLXZVQDCK-LEWJYISDSA-N 2 2 461.655 1.647 20 0 JDADLP CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001500417182 1069249043 /nfs/dbraw/zinc/24/90/43/1069249043.db2.gz KNAKZRLXZVQDCK-LEWJYISDSA-N 2 2 461.655 1.647 20 0 JDADLP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCOCC2(C)C)C1 ZINC001500703139 1069297719 /nfs/dbraw/zinc/29/77/19/1069297719.db2.gz MNIHJUQQIARXDN-FQEVSTJZSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCOCC2(C)C)C1 ZINC001500703139 1069297739 /nfs/dbraw/zinc/29/77/39/1069297739.db2.gz MNIHJUQQIARXDN-FQEVSTJZSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001500703139 1069297759 /nfs/dbraw/zinc/29/77/59/1069297759.db2.gz MNIHJUQQIARXDN-FQEVSTJZSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[NH+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001500703139 1069297770 /nfs/dbraw/zinc/29/77/70/1069297770.db2.gz MNIHJUQQIARXDN-FQEVSTJZSA-N 2 2 461.655 1.793 20 0 JDADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001505289185 1072472435 /nfs/dbraw/zinc/47/24/35/1072472435.db2.gz DPVTXFKXWKTFDX-XJUOHMSHSA-N 2 2 477.698 1.601 20 0 JDADLP C[C@@H]1C[N@H+](CCN(C)c2nnc([C@H]3CCOC3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H](C)O1 ZINC001505289185 1072472439 /nfs/dbraw/zinc/47/24/39/1072472439.db2.gz DPVTXFKXWKTFDX-XJUOHMSHSA-N 2 2 477.698 1.601 20 0 JDADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289489 1072473819 /nfs/dbraw/zinc/47/38/19/1072473819.db2.gz JZNFDCCQCJBGTQ-SZPZYZBQSA-N 2 2 484.693 1.835 20 0 JDADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(Cc3cccnc3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289489 1072473825 /nfs/dbraw/zinc/47/38/25/1072473825.db2.gz JZNFDCCQCJBGTQ-SZPZYZBQSA-N 2 2 484.693 1.835 20 0 JDADLP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3cccnc3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289489 1072473829 /nfs/dbraw/zinc/47/38/29/1072473829.db2.gz JZNFDCCQCJBGTQ-SZPZYZBQSA-N 2 2 484.693 1.835 20 0 JDADLP C[C@@H]1C[NH+](CCN(C)c2nnc(Cc3cccnc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289489 1072473832 /nfs/dbraw/zinc/47/38/32/1072473832.db2.gz JZNFDCCQCJBGTQ-SZPZYZBQSA-N 2 2 484.693 1.835 20 0 JDADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3ccccn3)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001505290391 1072476737 /nfs/dbraw/zinc/47/67/37/1072476737.db2.gz SCMHISMSLZJYDK-OYRHEFFESA-N 2 2 457.623 1.998 20 0 JDADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3ccccn3)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001505290391 1072476747 /nfs/dbraw/zinc/47/67/47/1072476747.db2.gz SCMHISMSLZJYDK-OYRHEFFESA-N 2 2 457.623 1.998 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508276854 1073049310 /nfs/dbraw/zinc/04/93/10/1073049310.db2.gz WPCJGAAHAIGPMS-RBBKRZOGSA-N 2 2 475.682 1.576 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508276875 1073049355 /nfs/dbraw/zinc/04/93/55/1073049355.db2.gz XAMLZVBFVCFDCC-JAXLGGSGSA-N 2 2 461.655 1.359 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508276852 1073049535 /nfs/dbraw/zinc/04/95/35/1073049535.db2.gz WPCJGAAHAIGPMS-IFMALSPDSA-N 2 2 475.682 1.576 20 0 JDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOCC[NH+](C)C)CC1 ZINC001508429969 1073225482 /nfs/dbraw/zinc/22/54/82/1073225482.db2.gz BXGVAZPZCGTCOZ-LEWJYISDSA-N 2 2 477.654 1.231 20 0 JDADLP CC(C)[NH+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001508431728 1073227858 /nfs/dbraw/zinc/22/78/58/1073227858.db2.gz GDJIZKMRGSFMDN-RTWAWAEBSA-N 2 2 488.681 1.481 20 0 JDADLP CC(C)c1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001508909842 1073447164 /nfs/dbraw/zinc/44/71/64/1073447164.db2.gz AFYQICAOLASQEJ-LJQANCHMSA-N 2 2 463.652 1.878 20 0 JDADLP CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001509113769 1073505088 /nfs/dbraw/zinc/50/50/88/1073505088.db2.gz OBCWMLZPQQWNHH-GHTZIAJQSA-N 2 2 471.654 1.444 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001509402497 1073577354 /nfs/dbraw/zinc/57/73/54/1073577354.db2.gz JNODKMDGEZFWQY-UHFFFAOYSA-N 2 2 470.622 1.814 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001509402497 1073577372 /nfs/dbraw/zinc/57/73/72/1073577372.db2.gz JNODKMDGEZFWQY-UHFFFAOYSA-N 2 2 470.622 1.814 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001509428951 1073604318 /nfs/dbraw/zinc/60/43/18/1073604318.db2.gz NPMLLNMZFBOGMQ-NQIIRXRSSA-N 2 2 470.709 1.396 20 0 JDADLP CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001509440057 1073620574 /nfs/dbraw/zinc/62/05/74/1073620574.db2.gz DXLYNJWTHPWCNG-NHCUHLMSSA-N 2 2 450.628 1.645 20 0 JDADLP CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001509440057 1073620578 /nfs/dbraw/zinc/62/05/78/1073620578.db2.gz DXLYNJWTHPWCNG-NHCUHLMSSA-N 2 2 450.628 1.645 20 0 JDADLP CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509518383 1073662466 /nfs/dbraw/zinc/66/24/66/1073662466.db2.gz HIUXTJLATVFMBC-LEWJYISDSA-N 2 2 461.655 1.993 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001509518383 1073662471 /nfs/dbraw/zinc/66/24/71/1073662471.db2.gz HIUXTJLATVFMBC-LEWJYISDSA-N 2 2 461.655 1.993 20 0 JDADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001509566594 1073688484 /nfs/dbraw/zinc/68/84/84/1073688484.db2.gz HLBXGOBCEFEFAG-OAQYLSRUSA-N 2 2 490.674 1.699 20 0 JDADLP CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(C[NH+]2CCCC2)cc1 ZINC001509605045 1073729892 /nfs/dbraw/zinc/72/98/92/1073729892.db2.gz RKXHWKWUSSCSQL-UHFFFAOYSA-N 2 2 469.634 1.829 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405556 718863778 /nfs/dbraw/zinc/86/37/78/718863778.db2.gz FAQFRKXNZDHNEC-WIYYLYMNSA-N 2 2 487.674 1.090 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4C[C@@H](CF)[C@H](C5([NH3+])CC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624172 719121535 /nfs/dbraw/zinc/12/15/35/719121535.db2.gz UHKOBSASBDSAHY-IEBWSBKVSA-N 2 2 489.665 1.789 20 0 JDADLP Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)nn1 ZINC001164635736 719265743 /nfs/dbraw/zinc/26/57/43/719265743.db2.gz IEHYGSQEQCXFJB-GBXCKJPGSA-N 2 2 453.591 1.656 20 0 JDADLP Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)nn1 ZINC001164635741 719265756 /nfs/dbraw/zinc/26/57/56/719265756.db2.gz IEHYGSQEQCXFJB-RDPSFJRHSA-N 2 2 453.591 1.656 20 0 JDADLP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4ccnc(N5CC[NH+](C)CC5)n4)C3)C2)cc[nH+]1 ZINC001164664174 719357581 /nfs/dbraw/zinc/35/75/81/719357581.db2.gz LNXZXKPEPZLRGG-DEOSSOPVSA-N 2 2 467.622 1.208 20 0 JDADLP COc1cc2c[nH+]c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)cc2cc1OC ZINC001164708751 719926845 /nfs/dbraw/zinc/92/68/45/719926845.db2.gz OPGFFXHLAMHYJQ-UHFFFAOYSA-N 2 2 450.543 1.936 20 0 JDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164708798 719935127 /nfs/dbraw/zinc/93/51/27/719935127.db2.gz RCLXJKFVDHXCJG-UHFFFAOYSA-N 3 2 453.591 1.238 20 0 JDADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714623 720150398 /nfs/dbraw/zinc/15/03/98/720150398.db2.gz XSDLAPPPEFVAKC-NHCUHLMSSA-N 2 2 465.602 1.833 20 0 JDADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714623 720150406 /nfs/dbraw/zinc/15/04/06/720150406.db2.gz XSDLAPPPEFVAKC-NHCUHLMSSA-N 2 2 465.602 1.833 20 0 JDADLP CN(C)C(=O)N1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164711932 720160407 /nfs/dbraw/zinc/16/04/07/720160407.db2.gz DUENXIZEIJXRSX-VWLOTQADSA-N 2 2 469.634 1.266 20 0 JDADLP CN(C)C(=O)N1CC2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164711930 720160455 /nfs/dbraw/zinc/16/04/55/720160455.db2.gz DUENXIZEIJXRSX-RUZDIDTESA-N 2 2 469.634 1.266 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)n2)CC1 ZINC001164717608 720190828 /nfs/dbraw/zinc/19/08/28/720190828.db2.gz VCULPAIHGBYCSO-HXUWFJFHSA-N 2 2 484.605 1.211 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2=O)cs1 ZINC001164821147 720379789 /nfs/dbraw/zinc/37/97/89/720379789.db2.gz XWMUMSXATGUHFI-UHFFFAOYSA-N 2 2 471.631 1.686 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)CC3)C2=O)cs1 ZINC001164821147 720379800 /nfs/dbraw/zinc/37/98/00/720379800.db2.gz XWMUMSXATGUHFI-UHFFFAOYSA-N 2 2 471.631 1.686 20 0 JDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164822027 720442574 /nfs/dbraw/zinc/44/25/74/720442574.db2.gz BXKWGSSIEYRGML-GOSISDBHSA-N 2 2 476.025 1.783 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001164726821 720515276 /nfs/dbraw/zinc/51/52/76/720515276.db2.gz DZXAKSMJZWAYOE-MDKPJZGXSA-N 2 2 495.584 1.315 20 0 JDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@H]2C1 ZINC001164862932 720872008 /nfs/dbraw/zinc/87/20/08/720872008.db2.gz SBSODPQOTOIYSV-PZJWPPBQSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@H]2C1 ZINC001164862932 720872010 /nfs/dbraw/zinc/87/20/10/720872010.db2.gz SBSODPQOTOIYSV-PZJWPPBQSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164859845 720883340 /nfs/dbraw/zinc/88/33/40/720883340.db2.gz MWUSEMABLRCJQL-FYYLOGMGSA-N 2 2 452.603 1.977 20 0 JDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164859845 720883342 /nfs/dbraw/zinc/88/33/42/720883342.db2.gz MWUSEMABLRCJQL-FYYLOGMGSA-N 2 2 452.603 1.977 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)NCc5ccccn5)[C@@H]4C3)[nH+]2)CC1 ZINC001164762399 721021706 /nfs/dbraw/zinc/02/17/06/721021706.db2.gz VKRGUKOQHFDRTK-FKBYEOEOSA-N 2 2 450.587 1.776 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@H](C(=O)NCc5ccccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164762401 721021733 /nfs/dbraw/zinc/02/17/33/721021733.db2.gz VKRGUKOQHFDRTK-VSKRKVRLSA-N 2 2 450.587 1.776 20 0 JDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164782294 721370668 /nfs/dbraw/zinc/37/06/68/721370668.db2.gz MLGAZEIATXKEQU-XMMPIXPASA-N 2 2 455.607 1.952 20 0 JDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164782294 721370670 /nfs/dbraw/zinc/37/06/70/721370670.db2.gz MLGAZEIATXKEQU-XMMPIXPASA-N 2 2 455.607 1.952 20 0 JDADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)CC2 ZINC001164793956 721491094 /nfs/dbraw/zinc/49/10/94/721491094.db2.gz YVYZODUDQUZUQT-UHFFFAOYSA-N 2 2 494.644 1.821 20 0 JDADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)CC2 ZINC001164793956 721491098 /nfs/dbraw/zinc/49/10/98/721491098.db2.gz YVYZODUDQUZUQT-UHFFFAOYSA-N 2 2 494.644 1.821 20 0 JDADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001164793956 721491108 /nfs/dbraw/zinc/49/11/08/721491108.db2.gz YVYZODUDQUZUQT-UHFFFAOYSA-N 2 2 494.644 1.821 20 0 JDADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001164793956 721491112 /nfs/dbraw/zinc/49/11/12/721491112.db2.gz YVYZODUDQUZUQT-UHFFFAOYSA-N 2 2 494.644 1.821 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164897225 721510261 /nfs/dbraw/zinc/51/02/61/721510261.db2.gz FMHKHTANLVHHRZ-FUHWJXTLSA-N 2 2 461.563 1.049 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164897225 721510263 /nfs/dbraw/zinc/51/02/63/721510263.db2.gz FMHKHTANLVHHRZ-FUHWJXTLSA-N 2 2 461.563 1.049 20 0 JDADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@@H](COCC(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164902634 721581907 /nfs/dbraw/zinc/58/19/07/721581907.db2.gz HDIXMGRVMPQSQO-HXUWFJFHSA-N 2 2 453.591 1.305 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n1)CC[NH2+]CC2 ZINC001164901724 721583883 /nfs/dbraw/zinc/58/38/83/721583883.db2.gz ABUCHADIOCQYAE-QFIPXVFZSA-N 2 2 492.596 1.701 20 0 JDADLP 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JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026939 721803251 /nfs/dbraw/zinc/80/32/51/721803251.db2.gz SPHDFQTYPWGVGN-YMPZKCBVSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026939 721803252 /nfs/dbraw/zinc/80/32/52/721803252.db2.gz SPHDFQTYPWGVGN-YMPZKCBVSA-N 2 2 494.644 1.677 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164984609 722131368 /nfs/dbraw/zinc/13/13/68/722131368.db2.gz XQVHHKXMUMBDEB-VXKWHMMOSA-N 2 2 466.586 1.988 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164984609 722131371 /nfs/dbraw/zinc/13/13/71/722131371.db2.gz XQVHHKXMUMBDEB-VXKWHMMOSA-N 2 2 466.586 1.988 20 0 JDADLP CCC[N@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001500789684 1069312388 /nfs/dbraw/zinc/31/23/88/1069312388.db2.gz GHDIOBULYOVBNG-IBGZPJMESA-N 2 2 452.669 1.977 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450.605 1.975 20 0 JDADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001475156940 1069378057 /nfs/dbraw/zinc/37/80/57/1069378057.db2.gz OHTUURKGAVWRGG-UXHICEINSA-N 2 2 450.605 1.975 20 0 JDADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001475156940 1069378060 /nfs/dbraw/zinc/37/80/60/1069378060.db2.gz OHTUURKGAVWRGG-UXHICEINSA-N 2 2 450.605 1.975 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001501770070 1069627270 /nfs/dbraw/zinc/62/72/70/1069627270.db2.gz OXNHJDHWMVIWJP-QHCPKHFHSA-N 2 2 479.695 1.175 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001501770070 1069627278 /nfs/dbraw/zinc/62/72/78/1069627278.db2.gz OXNHJDHWMVIWJP-QHCPKHFHSA-N 2 2 479.695 1.175 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001501770461 1069629650 /nfs/dbraw/zinc/62/96/50/1069629650.db2.gz WILIRSPXMRKKQQ-UHFFFAOYSA-N 2 2 483.661 1.848 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C)n2Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001501770461 1069629662 /nfs/dbraw/zinc/62/96/62/1069629662.db2.gz WILIRSPXMRKKQQ-UHFFFAOYSA-N 2 2 483.661 1.848 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCOC[C@H]2C)CC1 ZINC001501774987 1069640687 /nfs/dbraw/zinc/64/06/87/1069640687.db2.gz NNVNFPZYUINOOS-FGZHOGPDSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCOC[C@H]2C)CC1 ZINC001501774987 1069640712 /nfs/dbraw/zinc/64/07/12/1069640712.db2.gz NNVNFPZYUINOOS-FGZHOGPDSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001501774987 1069640731 /nfs/dbraw/zinc/64/07/31/1069640731.db2.gz NNVNFPZYUINOOS-FGZHOGPDSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001501774987 1069640759 /nfs/dbraw/zinc/64/07/59/1069640759.db2.gz NNVNFPZYUINOOS-FGZHOGPDSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCOC[C@H]2C)CC1 ZINC001501774999 1069639990 /nfs/dbraw/zinc/63/99/90/1069639990.db2.gz NNVNFPZYUINOOS-YADHBBJMSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCOC[C@H]2C)CC1 ZINC001501774999 1069639998 /nfs/dbraw/zinc/63/99/98/1069639998.db2.gz NNVNFPZYUINOOS-YADHBBJMSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001501774999 1069640019 /nfs/dbraw/zinc/64/00/19/1069640019.db2.gz NNVNFPZYUINOOS-YADHBBJMSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001501774999 1069640039 /nfs/dbraw/zinc/64/00/39/1069640039.db2.gz NNVNFPZYUINOOS-YADHBBJMSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCOC[C@@H]2C)CC1 ZINC001501774982 1069641141 /nfs/dbraw/zinc/64/11/41/1069641141.db2.gz NNVNFPZYUINOOS-FCHUYYIVSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCOC[C@@H]2C)CC1 ZINC001501774982 1069641172 /nfs/dbraw/zinc/64/11/72/1069641172.db2.gz NNVNFPZYUINOOS-FCHUYYIVSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001501774982 1069641190 /nfs/dbraw/zinc/64/11/90/1069641190.db2.gz NNVNFPZYUINOOS-FCHUYYIVSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@@H]3CCCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001501774982 1069641226 /nfs/dbraw/zinc/64/12/26/1069641226.db2.gz NNVNFPZYUINOOS-FCHUYYIVSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001501778420 1069654495 /nfs/dbraw/zinc/65/44/95/1069654495.db2.gz JWZRMUIPTUCZOD-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001501778420 1069654523 /nfs/dbraw/zinc/65/45/23/1069654523.db2.gz JWZRMUIPTUCZOD-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001501778420 1069654542 /nfs/dbraw/zinc/65/45/42/1069654542.db2.gz JWZRMUIPTUCZOD-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(CC3CC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001501778420 1069654567 /nfs/dbraw/zinc/65/45/67/1069654567.db2.gz JWZRMUIPTUCZOD-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001501778912 1069657772 /nfs/dbraw/zinc/65/77/72/1069657772.db2.gz QHWVAUQPTLIZCP-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(CC3CC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001501778912 1069657791 /nfs/dbraw/zinc/65/77/91/1069657791.db2.gz QHWVAUQPTLIZCP-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCCC2)CC1 ZINC001501782875 1069669663 /nfs/dbraw/zinc/66/96/63/1069669663.db2.gz DDIPDPQEXXAKJL-UHFFFAOYSA-N 2 2 471.654 1.543 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001501783503 1069673182 /nfs/dbraw/zinc/67/31/82/1069673182.db2.gz LPSNPFQTDZWRMR-NRFANRHFSA-N 2 2 485.681 1.789 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001501783503 1069673248 /nfs/dbraw/zinc/67/32/48/1069673248.db2.gz LPSNPFQTDZWRMR-NRFANRHFSA-N 2 2 485.681 1.789 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001501783572 1069674254 /nfs/dbraw/zinc/67/42/54/1069674254.db2.gz NWUJPYPPCRTSDJ-HSZRJFAPSA-N 2 2 498.676 1.687 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001501783565 1069674807 /nfs/dbraw/zinc/67/48/07/1069674807.db2.gz NUFHCWXRDZOWEG-IBGZPJMESA-N 2 2 456.639 1.757 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001501783565 1069674826 /nfs/dbraw/zinc/67/48/26/1069674826.db2.gz NUFHCWXRDZOWEG-IBGZPJMESA-N 2 2 456.639 1.757 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501784251 1069681675 /nfs/dbraw/zinc/68/16/75/1069681675.db2.gz YUUKIQZIXOVCFQ-HSZRJFAPSA-N 2 2 474.679 1.701 20 0 JDADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001501799738 1069726041 /nfs/dbraw/zinc/72/60/41/1069726041.db2.gz XXLPLTBQJSYBDY-RBUKOAKNSA-N 2 2 456.639 1.803 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001501901360 1069767429 /nfs/dbraw/zinc/76/74/29/1069767429.db2.gz MXHCERQHMSUWKH-XMMPIXPASA-N 2 2 483.661 1.959 20 0 JDADLP CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001476919930 1069787417 /nfs/dbraw/zinc/78/74/17/1069787417.db2.gz MGSQHBMRNCDFHA-HKBQPEDESA-N 2 2 452.625 1.891 20 0 JDADLP CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001476919930 1069787436 /nfs/dbraw/zinc/78/74/36/1069787436.db2.gz MGSQHBMRNCDFHA-HKBQPEDESA-N 2 2 452.625 1.891 20 0 JDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC001477094670 1069800788 /nfs/dbraw/zinc/80/07/88/1069800788.db2.gz DFSJZWFDTKHXAK-UHFFFAOYSA-N 2 2 459.638 1.593 20 0 JDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 ZINC001477094670 1069800789 /nfs/dbraw/zinc/80/07/89/1069800789.db2.gz DFSJZWFDTKHXAK-UHFFFAOYSA-N 2 2 459.638 1.593 20 0 JDADLP CC[NH+](CC)C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001501938805 1069804543 /nfs/dbraw/zinc/80/45/43/1069804543.db2.gz YHXLTGRSZRWRIT-QHCPKHFHSA-N 2 2 468.650 1.596 20 0 JDADLP CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501954719 1069806592 /nfs/dbraw/zinc/80/65/92/1069806592.db2.gz IGDKALTXEQBVLN-LEWJYISDSA-N 2 2 461.655 1.647 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001501979246 1069810167 /nfs/dbraw/zinc/81/01/67/1069810167.db2.gz IQOVLPVSMNARBF-MSOLQXFVSA-N 2 2 455.611 1.255 20 0 JDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477298279 1069811306 /nfs/dbraw/zinc/81/13/06/1069811306.db2.gz NMIJUGNQPZQIIY-NJYVYQBISA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477298279 1069811309 /nfs/dbraw/zinc/81/13/09/1069811309.db2.gz NMIJUGNQPZQIIY-NJYVYQBISA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477298278 1069811447 /nfs/dbraw/zinc/81/14/47/1069811447.db2.gz NMIJUGNQPZQIIY-NJDAHSKKSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477298278 1069811449 /nfs/dbraw/zinc/81/14/49/1069811449.db2.gz NMIJUGNQPZQIIY-NJDAHSKKSA-N 2 2 459.639 1.949 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001477413429 1069821557 /nfs/dbraw/zinc/82/15/57/1069821557.db2.gz UOGOCAWNNWDMNV-QHCPKHFHSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001477413429 1069821558 /nfs/dbraw/zinc/82/15/58/1069821558.db2.gz UOGOCAWNNWDMNV-QHCPKHFHSA-N 2 2 452.603 1.842 20 0 JDADLP CN1CC[NH+](CC2CCN(C(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)CC2)CC1 ZINC001477620880 1069837713 /nfs/dbraw/zinc/83/77/13/1069837713.db2.gz FSCVRYZNMIDPQE-UHFFFAOYSA-N 2 2 459.635 1.567 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477628468 1069839586 /nfs/dbraw/zinc/83/95/86/1069839586.db2.gz FJCCFRBPXROWDZ-GOTSBHOMSA-N 2 2 457.619 1.905 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477628468 1069839587 /nfs/dbraw/zinc/83/95/87/1069839587.db2.gz FJCCFRBPXROWDZ-GOTSBHOMSA-N 2 2 457.619 1.905 20 0 JDADLP CC(C)[NH+]1CCN(C2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC001477661401 1069842396 /nfs/dbraw/zinc/84/23/96/1069842396.db2.gz WRVVIVXFCOGPCY-UHFFFAOYSA-N 3 2 457.667 1.794 20 0 JDADLP CC(C)N1CC[NH+](C2CCN(C(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)CC1 ZINC001477661401 1069842397 /nfs/dbraw/zinc/84/23/97/1069842397.db2.gz WRVVIVXFCOGPCY-UHFFFAOYSA-N 3 2 457.667 1.794 20 0 JDADLP COc1ccc(-c2n[nH]c(CNC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC001477661746 1069842237 /nfs/dbraw/zinc/84/22/37/1069842237.db2.gz YKQWGUUJJSSUAL-UHFFFAOYSA-N 2 2 450.547 1.887 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC001477725810 1069848310 /nfs/dbraw/zinc/84/83/10/1069848310.db2.gz NYBSCUHBUMOUBK-UHFFFAOYSA-N 2 2 456.635 1.537 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)CC2)CC1 ZINC001477725810 1069848312 /nfs/dbraw/zinc/84/83/12/1069848312.db2.gz NYBSCUHBUMOUBK-UHFFFAOYSA-N 2 2 456.635 1.537 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC001477756192 1069854075 /nfs/dbraw/zinc/85/40/75/1069854075.db2.gz NYTAXORMNHKKPN-UHFFFAOYSA-N 2 2 459.635 1.803 20 0 JDADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477813164 1069862359 /nfs/dbraw/zinc/86/23/59/1069862359.db2.gz RSMPWNPLIRQXOD-JOCHJYFZSA-N 2 2 458.651 1.293 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928399 1069878206 /nfs/dbraw/zinc/87/82/06/1069878206.db2.gz VOPIYLKGVOEJIQ-UNMCSNQZSA-N 2 2 450.027 1.869 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928399 1069878207 /nfs/dbraw/zinc/87/82/07/1069878207.db2.gz VOPIYLKGVOEJIQ-UNMCSNQZSA-N 2 2 450.027 1.869 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502256739 1069949469 /nfs/dbraw/zinc/94/94/69/1069949469.db2.gz BXVSUODZUSXYPY-SLFFLAALSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502256739 1069949498 /nfs/dbraw/zinc/94/94/98/1069949498.db2.gz BXVSUODZUSXYPY-SLFFLAALSA-N 2 2 452.669 1.831 20 0 JDADLP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccn1 ZINC001478345851 1069969876 /nfs/dbraw/zinc/96/98/76/1069969876.db2.gz DEMOYXDJLMQNGG-SFHVURJKSA-N 2 2 450.584 1.372 20 0 JDADLP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)ccn1 ZINC001478345851 1069969896 /nfs/dbraw/zinc/96/98/96/1069969896.db2.gz DEMOYXDJLMQNGG-SFHVURJKSA-N 2 2 450.584 1.372 20 0 JDADLP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281696 1070014965 /nfs/dbraw/zinc/01/49/65/1070014965.db2.gz LQXNQHSWECXGAP-AEFFLSMTSA-N 2 2 496.707 1.460 20 0 JDADLP CC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281696 1070014983 /nfs/dbraw/zinc/01/49/83/1070014983.db2.gz LQXNQHSWECXGAP-AEFFLSMTSA-N 2 2 496.707 1.460 20 0 JDADLP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001478640485 1070034612 /nfs/dbraw/zinc/03/46/12/1070034612.db2.gz BJXGJCNQVBTNDG-FYYLOGMGSA-N 2 2 458.651 1.291 20 0 JDADLP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1CN(C)CC[N@H+]1C ZINC001478640485 1070034626 /nfs/dbraw/zinc/03/46/26/1070034626.db2.gz BJXGJCNQVBTNDG-FYYLOGMGSA-N 2 2 458.651 1.291 20 0 JDADLP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001478640488 1070034671 /nfs/dbraw/zinc/03/46/71/1070034671.db2.gz BJXGJCNQVBTNDG-GMAHTHKFSA-N 2 2 458.651 1.291 20 0 JDADLP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001478640488 1070034685 /nfs/dbraw/zinc/03/46/85/1070034685.db2.gz BJXGJCNQVBTNDG-GMAHTHKFSA-N 2 2 458.651 1.291 20 0 JDADLP CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502301007 1070045484 /nfs/dbraw/zinc/04/54/84/1070045484.db2.gz UJFCZBFOEREZBY-QPPBQGQZSA-N 2 2 464.655 1.962 20 0 JDADLP CC[N@H+]1CCCC[C@@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502301007 1070045498 /nfs/dbraw/zinc/04/54/98/1070045498.db2.gz UJFCZBFOEREZBY-QPPBQGQZSA-N 2 2 464.655 1.962 20 0 JDADLP CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC001479005785 1070079119 /nfs/dbraw/zinc/07/91/19/1070079119.db2.gz WPFDNVHXEBTOCF-VQTJNVASSA-N 2 2 451.612 1.576 20 0 JDADLP CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC001479005783 1070079592 /nfs/dbraw/zinc/07/95/92/1070079592.db2.gz WPFDNVHXEBTOCF-PMACEKPBSA-N 2 2 451.612 1.576 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001502311124 1070077933 /nfs/dbraw/zinc/07/79/33/1070077933.db2.gz MZHKRKQQARAIFS-SFHVURJKSA-N 2 2 461.577 1.704 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502311980 1070081764 /nfs/dbraw/zinc/08/17/64/1070081764.db2.gz CDPFTZMJOXSODO-VSKRKVRLSA-N 2 2 470.666 1.912 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502311980 1070081781 /nfs/dbraw/zinc/08/17/81/1070081781.db2.gz CDPFTZMJOXSODO-VSKRKVRLSA-N 2 2 470.666 1.912 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312547 1070084684 /nfs/dbraw/zinc/08/46/84/1070084684.db2.gz OELSZOYHJRQXNY-RTWAWAEBSA-N 2 2 474.698 1.813 20 0 JDADLP CC[NH+]1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001502312499 1070083243 /nfs/dbraw/zinc/08/32/43/1070083243.db2.gz NINNZHRHNWSOMB-NRFANRHFSA-N 2 2 471.654 1.308 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC001502312499 1070083254 /nfs/dbraw/zinc/08/32/54/1070083254.db2.gz NINNZHRHNWSOMB-NRFANRHFSA-N 2 2 471.654 1.308 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502313653 1070089684 /nfs/dbraw/zinc/08/96/84/1070089684.db2.gz IOPFFAPCDLEPNQ-NRFANRHFSA-N 2 2 474.698 1.562 20 0 JDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001479203538 1070105383 /nfs/dbraw/zinc/10/53/83/1070105383.db2.gz DISUSIWFGGHNQQ-IBGZPJMESA-N 2 2 455.644 1.975 20 0 JDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001479203538 1070105401 /nfs/dbraw/zinc/10/54/01/1070105401.db2.gz DISUSIWFGGHNQQ-IBGZPJMESA-N 2 2 455.644 1.975 20 0 JDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248392 1070112047 /nfs/dbraw/zinc/11/20/47/1070112047.db2.gz WQHHGEBSBCIKGT-WOJBJXKFSA-N 2 2 455.644 1.806 20 0 JDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248392 1070112092 /nfs/dbraw/zinc/11/20/92/1070112092.db2.gz WQHHGEBSBCIKGT-WOJBJXKFSA-N 2 2 455.644 1.806 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001502318603 1070130549 /nfs/dbraw/zinc/13/05/49/1070130549.db2.gz CWNXRSVLEOKBCS-GBXCKJPGSA-N 2 2 464.655 1.960 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001502318603 1070130560 /nfs/dbraw/zinc/13/05/60/1070130560.db2.gz CWNXRSVLEOKBCS-GBXCKJPGSA-N 2 2 464.655 1.960 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)CC1 ZINC001502332239 1070170407 /nfs/dbraw/zinc/17/04/07/1070170407.db2.gz GQWOKQJUAWOCSY-NRFANRHFSA-N 2 2 460.671 1.364 20 0 JDADLP CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502355890 1070287792 /nfs/dbraw/zinc/28/77/92/1070287792.db2.gz BOYSVMHVAFPUJX-SZPZYZBQSA-N 2 2 472.682 1.857 20 0 JDADLP CCN1CC[NH+](CCCn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502355890 1070287816 /nfs/dbraw/zinc/28/78/16/1070287816.db2.gz BOYSVMHVAFPUJX-SZPZYZBQSA-N 2 2 472.682 1.857 20 0 JDADLP CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502355890 1070287833 /nfs/dbraw/zinc/28/78/33/1070287833.db2.gz BOYSVMHVAFPUJX-SZPZYZBQSA-N 2 2 472.682 1.857 20 0 JDADLP CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502355890 1070287864 /nfs/dbraw/zinc/28/78/64/1070287864.db2.gz BOYSVMHVAFPUJX-SZPZYZBQSA-N 2 2 472.682 1.857 20 0 JDADLP CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001493807661 1070352956 /nfs/dbraw/zinc/35/29/56/1070352956.db2.gz BUCKLDRGIPKQCY-QPPBQGQZSA-N 2 2 464.655 1.819 20 0 JDADLP CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC001493807661 1070352976 /nfs/dbraw/zinc/35/29/76/1070352976.db2.gz BUCKLDRGIPKQCY-QPPBQGQZSA-N 2 2 464.655 1.819 20 0 JDADLP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494083138 1070387410 /nfs/dbraw/zinc/38/74/10/1070387410.db2.gz WHKRUWBPUFKAHK-HXUWFJFHSA-N 2 2 452.669 1.833 20 0 JDADLP CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494083138 1070387427 /nfs/dbraw/zinc/38/74/27/1070387427.db2.gz WHKRUWBPUFKAHK-HXUWFJFHSA-N 2 2 452.669 1.833 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001494097843 1070393779 /nfs/dbraw/zinc/39/37/79/1070393779.db2.gz XSCRPGAYFIUXHE-NJDAHSKKSA-N 2 2 464.655 1.828 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663719 1070742032 /nfs/dbraw/zinc/74/20/32/1070742032.db2.gz CCOKOCDIRBECJJ-YOSAUDMPSA-N 2 2 477.654 1.013 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663719 1070742056 /nfs/dbraw/zinc/74/20/56/1070742056.db2.gz CCOKOCDIRBECJJ-YOSAUDMPSA-N 2 2 477.654 1.013 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663718 1070742379 /nfs/dbraw/zinc/74/23/79/1070742379.db2.gz CCOKOCDIRBECJJ-MZLICYQSSA-N 2 2 477.654 1.013 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663718 1070742391 /nfs/dbraw/zinc/74/23/91/1070742391.db2.gz CCOKOCDIRBECJJ-MZLICYQSSA-N 2 2 477.654 1.013 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502714031 1070821163 /nfs/dbraw/zinc/82/11/63/1070821163.db2.gz GHQNFUDDSQMTHC-XMMPIXPASA-N 2 2 477.654 1.015 20 0 JDADLP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCCn1cc[nH+]c1C ZINC001503036018 1070997280 /nfs/dbraw/zinc/99/72/80/1070997280.db2.gz XZGITBCCDUKOSJ-SIKLNZKXSA-N 2 2 472.638 1.789 20 0 JDADLP CCOCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503035894 1070998153 /nfs/dbraw/zinc/99/81/53/1070998153.db2.gz BWNNTSJTKOBJRI-FDFHNCONSA-N 2 2 464.655 1.718 20 0 JDADLP CCOCc1nnc(N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503035890 1070999695 /nfs/dbraw/zinc/99/96/95/1070999695.db2.gz BWNNTSJTKOBJRI-BHDDXSALSA-N 2 2 464.655 1.718 20 0 JDADLP COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](C)[NH+](C)C)CC2)cc1F ZINC001504285449 1071011680 /nfs/dbraw/zinc/01/16/80/1071011680.db2.gz FDORAURBMXHGRP-APWZRJJASA-N 2 2 459.570 1.649 20 0 JDADLP CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503099384 1071045911 /nfs/dbraw/zinc/04/59/11/1071045911.db2.gz PSNOQZBRKAMVQP-FGZHOGPDSA-N 2 2 463.671 1.389 20 0 JDADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001503108660 1071061983 /nfs/dbraw/zinc/06/19/83/1071061983.db2.gz XEHTUKMUPBXRFD-HXUWFJFHSA-N 2 2 477.654 1.058 20 0 JDADLP COc1cccc([C@@H](Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC001504325252 1071060128 /nfs/dbraw/zinc/06/01/28/1071060128.db2.gz PJNZTOSCOJCCFX-JOCHJYFZSA-N 2 2 466.590 1.815 20 0 JDADLP COc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001504412993 1071163366 /nfs/dbraw/zinc/16/33/66/1071163366.db2.gz OVBBTKBVMKKGRQ-SFTDATJTSA-N 2 2 483.661 1.961 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1CC ZINC001503217397 1071166928 /nfs/dbraw/zinc/16/69/28/1071166928.db2.gz YFIGOAZSFVGZAO-NRFANRHFSA-N 2 2 484.649 1.961 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1CC ZINC001503217397 1071166939 /nfs/dbraw/zinc/16/69/39/1071166939.db2.gz YFIGOAZSFVGZAO-NRFANRHFSA-N 2 2 484.649 1.961 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1CC ZINC001503223593 1071187890 /nfs/dbraw/zinc/18/78/90/1071187890.db2.gz NQLBPGNOXKQVNK-DHIUTWEWSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1CC ZINC001503223593 1071187917 /nfs/dbraw/zinc/18/79/17/1071187917.db2.gz NQLBPGNOXKQVNK-DHIUTWEWSA-N 2 2 491.681 1.273 20 0 JDADLP C[NH+](C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001503402495 1071667320 /nfs/dbraw/zinc/66/73/20/1071667320.db2.gz MHIPBVHSNSHFCN-UHFFFAOYSA-N 2 2 465.562 1.225 20 0 JDADLP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001504857313 1071775002 /nfs/dbraw/zinc/77/50/02/1071775002.db2.gz JSZAXJFVLLJWIZ-NRFANRHFSA-N 2 2 482.695 1.461 20 0 JDADLP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001504857313 1071775007 /nfs/dbraw/zinc/77/50/07/1071775007.db2.gz JSZAXJFVLLJWIZ-NRFANRHFSA-N 2 2 482.695 1.461 20 0 JDADLP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001504857976 1071780623 /nfs/dbraw/zinc/78/06/23/1071780623.db2.gz SMNMECGFPBSNTJ-RBUKOAKNSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001504857976 1071780639 /nfs/dbraw/zinc/78/06/39/1071780639.db2.gz SMNMECGFPBSNTJ-RBUKOAKNSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001504857976 1071780656 /nfs/dbraw/zinc/78/06/56/1071780656.db2.gz SMNMECGFPBSNTJ-RBUKOAKNSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001504857976 1071780679 /nfs/dbraw/zinc/78/06/79/1071780679.db2.gz SMNMECGFPBSNTJ-RBUKOAKNSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504911536 1071868220 /nfs/dbraw/zinc/86/82/20/1071868220.db2.gz VOUBDQMVXHKBQX-UHFFFAOYSA-N 2 2 476.025 1.531 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001504911868 1071868905 /nfs/dbraw/zinc/86/89/05/1071868905.db2.gz DRRNIIUMDYOQQE-IBGZPJMESA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001504911868 1071868908 /nfs/dbraw/zinc/86/89/08/1071868908.db2.gz DRRNIIUMDYOQQE-IBGZPJMESA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504920236 1071892171 /nfs/dbraw/zinc/89/21/71/1071892171.db2.gz PKBCRCHEMXHBMX-BDTNDASRSA-N 2 2 464.655 1.686 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504920236 1071892179 /nfs/dbraw/zinc/89/21/79/1071892179.db2.gz PKBCRCHEMXHBMX-BDTNDASRSA-N 2 2 464.655 1.686 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504920240 1071892300 /nfs/dbraw/zinc/89/23/00/1071892300.db2.gz PKBCRCHEMXHBMX-BHDDXSALSA-N 2 2 464.655 1.686 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504920240 1071892303 /nfs/dbraw/zinc/89/23/03/1071892303.db2.gz PKBCRCHEMXHBMX-BHDDXSALSA-N 2 2 464.655 1.686 20 0 JDADLP C[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC001503610510 1071894509 /nfs/dbraw/zinc/89/45/09/1071894509.db2.gz GLICOOBQCUGSIR-GOSISDBHSA-N 2 2 452.669 1.975 20 0 JDADLP C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC001503610510 1071894510 /nfs/dbraw/zinc/89/45/10/1071894510.db2.gz GLICOOBQCUGSIR-GOSISDBHSA-N 2 2 452.669 1.975 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001504923224 1071899523 /nfs/dbraw/zinc/89/95/23/1071899523.db2.gz SRQPQBRBNPQCBH-GOSISDBHSA-N 2 2 477.679 1.902 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001504923224 1071899526 /nfs/dbraw/zinc/89/95/26/1071899526.db2.gz SRQPQBRBNPQCBH-GOSISDBHSA-N 2 2 477.679 1.902 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001503619206 1071908151 /nfs/dbraw/zinc/90/81/51/1071908151.db2.gz NIUIDVDZHVIQLW-FQEVSTJZSA-N 2 2 493.653 1.451 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[NH+]1CCOCC1(C)C ZINC001503623027 1071925222 /nfs/dbraw/zinc/92/52/22/1071925222.db2.gz QVWFNVQTBNGFCX-UHFFFAOYSA-N 2 2 458.611 1.393 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[NH+]1CCOCC1(C)C ZINC001503623027 1071925228 /nfs/dbraw/zinc/92/52/28/1071925228.db2.gz QVWFNVQTBNGFCX-UHFFFAOYSA-N 2 2 458.611 1.393 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503623027 1071925231 /nfs/dbraw/zinc/92/52/31/1071925231.db2.gz QVWFNVQTBNGFCX-UHFFFAOYSA-N 2 2 458.611 1.393 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOCC1(C)C ZINC001503623027 1071925243 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/nfs/dbraw/zinc/72/33/50/1067723350.db2.gz BCFXJRLLMADLRP-AWEZNQCLSA-N 2 2 453.328 1.837 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc4ncc(I)n4c3)C2)CC1 ZINC001464998799 1067723366 /nfs/dbraw/zinc/72/33/66/1067723366.db2.gz BCFXJRLLMADLRP-AWEZNQCLSA-N 2 2 453.328 1.837 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)CC1 ZINC001465000364 1067723528 /nfs/dbraw/zinc/72/35/28/1067723528.db2.gz FAYKNMQMUCPRJJ-AZUAARDMSA-N 2 2 450.605 1.042 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)CC1 ZINC001465000364 1067723549 /nfs/dbraw/zinc/72/35/49/1067723549.db2.gz FAYKNMQMUCPRJJ-AZUAARDMSA-N 2 2 450.605 1.042 20 0 JDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC001465006009 1067726880 /nfs/dbraw/zinc/72/68/80/1067726880.db2.gz PRYXGWSRPJNCGN-NRFANRHFSA-N 2 2 451.571 1.963 20 0 JDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC001465006009 1067726896 /nfs/dbraw/zinc/72/68/96/1067726896.db2.gz PRYXGWSRPJNCGN-NRFANRHFSA-N 2 2 451.571 1.963 20 0 JDADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)CC2)CC1 ZINC001465085995 1067742024 /nfs/dbraw/zinc/74/20/24/1067742024.db2.gz RBECGILNQVETPL-UHFFFAOYSA-N 2 2 455.647 1.840 20 0 JDADLP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001465436647 1067800834 /nfs/dbraw/zinc/80/08/34/1067800834.db2.gz ZUVKMBPJINOMOA-IBGZPJMESA-N 2 2 459.591 1.659 20 0 JDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001467604745 1068036546 /nfs/dbraw/zinc/03/65/46/1068036546.db2.gz ZIJFPESVEUUAKZ-RDGATRHJSA-N 2 2 456.679 1.992 20 0 JDADLP CCC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC001467876750 1068082145 /nfs/dbraw/zinc/08/21/45/1068082145.db2.gz GVYNIJVKWUHFHQ-UHFFFAOYSA-N 2 2 457.619 1.861 20 0 JDADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001467882891 1068084190 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475.682 1.821 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001508277130 1073049990 /nfs/dbraw/zinc/04/99/90/1073049990.db2.gz DYTRSQXKXAERLV-OAQYLSRUSA-N 2 2 461.655 1.189 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC001508278535 1073054942 /nfs/dbraw/zinc/05/49/42/1073054942.db2.gz NEHAHTKNNQAKOV-UHFFFAOYSA-N 2 2 485.681 1.438 20 0 JDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC[NH+](C)C)CC1 ZINC001508429974 1073225391 /nfs/dbraw/zinc/22/53/91/1073225391.db2.gz BXGVAZPZCGTCOZ-RTWAWAEBSA-N 2 2 477.654 1.231 20 0 JDADLP CC(C)c1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001508909841 1073447152 /nfs/dbraw/zinc/44/71/52/1073447152.db2.gz AFYQICAOLASQEJ-IBGZPJMESA-N 2 2 463.652 1.878 20 0 JDADLP CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001509010720 1073474492 /nfs/dbraw/zinc/47/44/92/1073474492.db2.gz ARDYCRGPRIMAFM-QHCPKHFHSA-N 2 2 499.704 1.989 20 0 JDADLP CC(C)c1nnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001509010720 1073474502 /nfs/dbraw/zinc/47/45/02/1073474502.db2.gz ARDYCRGPRIMAFM-QHCPKHFHSA-N 2 2 499.704 1.989 20 0 JDADLP CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001509113777 1073505148 /nfs/dbraw/zinc/50/51/48/1073505148.db2.gz OBCWMLZPQQWNHH-RXVVDRJESA-N 2 2 471.654 1.444 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001509432610 1073611813 /nfs/dbraw/zinc/61/18/13/1073611813.db2.gz MNMUNUUWNVIWBA-UHFFFAOYSA-N 2 2 460.671 1.205 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001509432610 1073611826 /nfs/dbraw/zinc/61/18/26/1073611826.db2.gz MNMUNUUWNVIWBA-UHFFFAOYSA-N 2 2 460.671 1.205 20 0 JDADLP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001509440065 1073620506 /nfs/dbraw/zinc/62/05/06/1073620506.db2.gz DXLYNJWTHPWCNG-SFTDATJTSA-N 2 2 450.628 1.645 20 0 JDADLP CC(C)C[N@H+]1CCO[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001509440065 1073620511 /nfs/dbraw/zinc/62/05/11/1073620511.db2.gz DXLYNJWTHPWCNG-SFTDATJTSA-N 2 2 450.628 1.645 20 0 JDADLP CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001509517958 1073661284 /nfs/dbraw/zinc/66/12/84/1073661284.db2.gz XMLPZEKVYNBMPW-LJQANCHMSA-N 2 2 454.623 1.860 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001509517958 1073661293 /nfs/dbraw/zinc/66/12/93/1073661293.db2.gz XMLPZEKVYNBMPW-LJQANCHMSA-N 2 2 454.623 1.860 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405555 718863833 /nfs/dbraw/zinc/86/38/33/718863833.db2.gz FAQFRKXNZDHNEC-RXVVDRJESA-N 2 2 487.674 1.090 20 0 JDADLP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC001164629127 719060368 /nfs/dbraw/zinc/06/03/68/719060368.db2.gz VUBDBTZHHYIPJZ-VXKWHMMOSA-N 2 2 465.602 1.646 20 0 JDADLP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1 ZINC001164629127 719060376 /nfs/dbraw/zinc/06/03/76/719060376.db2.gz VUBDBTZHHYIPJZ-VXKWHMMOSA-N 2 2 465.602 1.646 20 0 JDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633165 719228472 /nfs/dbraw/zinc/22/84/72/719228472.db2.gz DGXKKIGNZMZRKB-ZWKOTPCHSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633165 719228479 /nfs/dbraw/zinc/22/84/79/719228479.db2.gz DGXKKIGNZMZRKB-ZWKOTPCHSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633165 719228486 /nfs/dbraw/zinc/22/84/86/719228486.db2.gz DGXKKIGNZMZRKB-ZWKOTPCHSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633165 719228493 /nfs/dbraw/zinc/22/84/93/719228493.db2.gz DGXKKIGNZMZRKB-ZWKOTPCHSA-N 2 2 459.664 1.804 20 0 JDADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714619 720149936 /nfs/dbraw/zinc/14/99/36/720149936.db2.gz XSDLAPPPEFVAKC-LEWJYISDSA-N 2 2 465.602 1.833 20 0 JDADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714619 720149940 /nfs/dbraw/zinc/14/99/40/720149940.db2.gz XSDLAPPPEFVAKC-LEWJYISDSA-N 2 2 465.602 1.833 20 0 JDADLP Cn1nnc2c1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718764 720180208 /nfs/dbraw/zinc/18/02/08/720180208.db2.gz QQVHMFSXCSXCHN-JOCHJYFZSA-N 2 2 476.585 1.707 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC001164829536 720336694 /nfs/dbraw/zinc/33/66/94/720336694.db2.gz SLKAUNWIPCLTNG-LEWJYISDSA-N 2 2 468.650 1.984 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC001164829536 720336700 /nfs/dbraw/zinc/33/67/00/720336700.db2.gz SLKAUNWIPCLTNG-LEWJYISDSA-N 2 2 468.650 1.984 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2=O)cs1 ZINC001164820735 720375641 /nfs/dbraw/zinc/37/56/41/720375641.db2.gz SAEOGQFREAKMHC-UHFFFAOYSA-N 2 2 455.632 1.569 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(N5CC[NH2+]CC5)cn4)CC3)C2=O)cs1 ZINC001164820735 720375644 /nfs/dbraw/zinc/37/56/44/720375644.db2.gz SAEOGQFREAKMHC-UHFFFAOYSA-N 2 2 455.632 1.569 20 0 JDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164834531 720477756 /nfs/dbraw/zinc/47/77/56/720477756.db2.gz TZGHPNNWXYIBCC-FQEVSTJZSA-N 2 2 471.606 1.041 20 0 JDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001164834532 720478217 /nfs/dbraw/zinc/47/82/17/720478217.db2.gz TZGHPNNWXYIBCC-HXUWFJFHSA-N 2 2 471.606 1.041 20 0 JDADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@H]2C1 ZINC001164850992 720846244 /nfs/dbraw/zinc/84/62/44/720846244.db2.gz GEMMRCSOIHCOTK-RXVVDRJESA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@H]2C1 ZINC001164850992 720846247 /nfs/dbraw/zinc/84/62/47/720846247.db2.gz GEMMRCSOIHCOTK-RXVVDRJESA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164850993 720846605 /nfs/dbraw/zinc/84/66/05/720846605.db2.gz GEMMRCSOIHCOTK-WIYYLYMNSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164850993 720846608 /nfs/dbraw/zinc/84/66/08/720846608.db2.gz GEMMRCSOIHCOTK-WIYYLYMNSA-N 2 2 471.583 1.842 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)CC2 ZINC001164750779 720961520 /nfs/dbraw/zinc/96/15/20/720961520.db2.gz LYNLYKYKSSYPGZ-UHFFFAOYSA-N 2 2 495.565 1.510 20 0 JDADLP c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872077 721138742 /nfs/dbraw/zinc/13/87/42/721138742.db2.gz GKFAPKIOXXIAMH-LEWJYISDSA-N 2 2 450.591 1.947 20 0 JDADLP c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872077 721138750 /nfs/dbraw/zinc/13/87/50/721138750.db2.gz GKFAPKIOXXIAMH-LEWJYISDSA-N 2 2 450.591 1.947 20 0 JDADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791296 721470106 /nfs/dbraw/zinc/47/01/06/721470106.db2.gz WRMRAWOVQKWNBX-LEWJYISDSA-N 2 2 472.634 1.665 20 0 JDADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791296 721470107 /nfs/dbraw/zinc/47/01/07/721470107.db2.gz WRMRAWOVQKWNBX-LEWJYISDSA-N 2 2 472.634 1.665 20 0 JDADLP O=S1(=O)Cc2cn(-c3ncccc3C[NH+]3CCCC3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001164793638 721476002 /nfs/dbraw/zinc/47/60/02/721476002.db2.gz WZIRVWXHYMIXHW-VQTJNVASSA-N 2 2 454.600 1.158 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)NCCc5ccncc5)[C@H]4C3)[nH+]2)CC1 ZINC001165013843 721753334 /nfs/dbraw/zinc/75/33/34/721753334.db2.gz SZVMPQHVERBGOO-ZRBLBEILSA-N 2 2 464.614 1.819 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@H](C(=O)NCCc5ccncc5)[C@@H]4C3)[nH+]2)CC1 ZINC001165013840 721753420 /nfs/dbraw/zinc/75/34/20/721753420.db2.gz SZVMPQHVERBGOO-VJBWXMMDSA-N 2 2 464.614 1.819 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@H](C(=O)NCCc5ccncc5)[C@H]4C3)[nH+]2)CC1 ZINC001165013841 721753574 /nfs/dbraw/zinc/75/35/74/721753574.db2.gz SZVMPQHVERBGOO-ZLNRFVROSA-N 2 2 464.614 1.819 20 0 JDADLP CCC[N@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001500789685 1069313103 /nfs/dbraw/zinc/31/31/03/1069313103.db2.gz GHDIOBULYOVBNG-LJQANCHMSA-N 2 2 452.669 1.977 20 0 JDADLP CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001500789685 1069313111 /nfs/dbraw/zinc/31/31/11/1069313111.db2.gz GHDIOBULYOVBNG-LJQANCHMSA-N 2 2 452.669 1.977 20 0 JDADLP CCC[NH+]1CCC(N(C)c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001500985860 1069346185 /nfs/dbraw/zinc/34/61/85/1069346185.db2.gz ZBNYZCLGJMZWHY-GMAHTHKFSA-N 2 2 491.681 1.477 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157533 1069377418 /nfs/dbraw/zinc/37/74/18/1069377418.db2.gz ZGFAKXIOHSZIIQ-VQTJNVASSA-N 2 2 456.609 1.950 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157533 1069377430 /nfs/dbraw/zinc/37/74/30/1069377430.db2.gz ZGFAKXIOHSZIIQ-VQTJNVASSA-N 2 2 456.609 1.950 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157528 1069378101 /nfs/dbraw/zinc/37/81/01/1069378101.db2.gz ZGFAKXIOHSZIIQ-PMACEKPBSA-N 2 2 456.609 1.950 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157528 1069378112 /nfs/dbraw/zinc/37/81/12/1069378112.db2.gz ZGFAKXIOHSZIIQ-PMACEKPBSA-N 2 2 456.609 1.950 20 0 JDADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001476109164 1069602452 /nfs/dbraw/zinc/60/24/52/1069602452.db2.gz ABKIDRNPOXZNRA-FQEVSTJZSA-N 2 2 459.639 1.044 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001501783302 1069671434 /nfs/dbraw/zinc/67/14/34/1069671434.db2.gz IHLZFOSIWSMAOM-FQEVSTJZSA-N 2 2 454.623 1.815 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001501783302 1069671465 /nfs/dbraw/zinc/67/14/65/1069671465.db2.gz IHLZFOSIWSMAOM-FQEVSTJZSA-N 2 2 454.623 1.815 20 0 JDADLP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501792733 1069715825 /nfs/dbraw/zinc/71/58/25/1069715825.db2.gz CWJNAMIULMYRDT-LEWJYISDSA-N 2 2 488.681 1.377 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001501799739 1069725593 /nfs/dbraw/zinc/72/55/93/1069725593.db2.gz XXLPLTBQJSYBDY-RTBURBONSA-N 2 2 456.639 1.803 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)[nH+]c32)CC1 ZINC001501900184 1069762471 /nfs/dbraw/zinc/76/24/71/1069762471.db2.gz XYHYDWSSKHQYJK-FQEVSTJZSA-N 2 2 499.664 1.489 20 0 JDADLP CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001476919931 1069787777 /nfs/dbraw/zinc/78/77/77/1069787777.db2.gz MGSQHBMRNCDFHA-WJOKGBTCSA-N 2 2 452.625 1.891 20 0 JDADLP CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC001476919931 1069787799 /nfs/dbraw/zinc/78/77/99/1069787799.db2.gz MGSQHBMRNCDFHA-WJOKGBTCSA-N 2 2 452.625 1.891 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001501909451 1069797654 /nfs/dbraw/zinc/79/76/54/1069797654.db2.gz AQOAHKJCKFMGFV-OAQYLSRUSA-N 2 2 475.682 1.722 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001501909451 1069797677 /nfs/dbraw/zinc/79/76/77/1069797677.db2.gz AQOAHKJCKFMGFV-OAQYLSRUSA-N 2 2 475.682 1.722 20 0 JDADLP COc1cccc(Cn2cccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2=O)n1 ZINC001477213966 1069804752 /nfs/dbraw/zinc/80/47/52/1069804752.db2.gz SIKVSUIRFUMLCG-UHFFFAOYSA-N 2 2 454.575 1.980 20 0 JDADLP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001501952743 1069806294 /nfs/dbraw/zinc/80/62/94/1069806294.db2.gz WAFPNJVJNXFTJJ-NRFANRHFSA-N 2 2 483.665 1.990 20 0 JDADLP CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501954722 1069806718 /nfs/dbraw/zinc/80/67/18/1069806718.db2.gz IGDKALTXEQBVLN-SFTDATJTSA-N 2 2 461.655 1.647 20 0 JDADLP CC[NH+](CC)CCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501954720 1069806791 /nfs/dbraw/zinc/80/67/91/1069806791.db2.gz IGDKALTXEQBVLN-NHCUHLMSSA-N 2 2 461.655 1.647 20 0 JDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001477252588 1069808054 /nfs/dbraw/zinc/80/80/54/1069808054.db2.gz YLCPCZUEIBJVJS-RUZDIDTESA-N 2 2 459.635 1.239 20 0 JDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001477252588 1069808056 /nfs/dbraw/zinc/80/80/56/1069808056.db2.gz YLCPCZUEIBJVJS-RUZDIDTESA-N 2 2 459.635 1.239 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001501979317 1069810463 /nfs/dbraw/zinc/81/04/63/1069810463.db2.gz MINQQOSBDDLLJL-LJQANCHMSA-N 2 2 455.611 1.210 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001501982089 1069810932 /nfs/dbraw/zinc/81/09/32/1069810932.db2.gz ALTPQOBOHFXGFN-MOPGFXCFSA-N 2 2 452.669 1.975 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477298277 1069811365 /nfs/dbraw/zinc/81/13/65/1069811365.db2.gz NMIJUGNQPZQIIY-HBMCJLEFSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477298277 1069811369 /nfs/dbraw/zinc/81/13/69/1069811369.db2.gz NMIJUGNQPZQIIY-HBMCJLEFSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477298277 1069811371 /nfs/dbraw/zinc/81/13/71/1069811371.db2.gz NMIJUGNQPZQIIY-HBMCJLEFSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477298277 1069811372 /nfs/dbraw/zinc/81/13/72/1069811372.db2.gz NMIJUGNQPZQIIY-HBMCJLEFSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001477413744 1069821514 /nfs/dbraw/zinc/82/15/14/1069821514.db2.gz ZLZNVDRSHBDEMH-HXUWFJFHSA-N 2 2 452.607 1.238 20 0 JDADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001477659810 1069842009 /nfs/dbraw/zinc/84/20/09/1069842009.db2.gz CIOFYIJOCVEXRX-UHFFFAOYSA-N 2 2 458.607 1.311 20 0 JDADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC001477688772 1069844651 /nfs/dbraw/zinc/84/46/51/1069844651.db2.gz RESZWABPZIAVIL-UHFFFAOYSA-N 2 2 453.591 1.797 20 0 JDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1 ZINC001477688772 1069844653 /nfs/dbraw/zinc/84/46/53/1069844653.db2.gz RESZWABPZIAVIL-UHFFFAOYSA-N 2 2 453.591 1.797 20 0 JDADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC001477688772 1069844654 /nfs/dbraw/zinc/84/46/54/1069844654.db2.gz RESZWABPZIAVIL-UHFFFAOYSA-N 2 2 453.591 1.797 20 0 JDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1 ZINC001477688772 1069844656 /nfs/dbraw/zinc/84/46/56/1069844656.db2.gz RESZWABPZIAVIL-UHFFFAOYSA-N 2 2 453.591 1.797 20 0 JDADLP CN(C)S(=O)(=O)Cc1ccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC001477687501 1069844788 /nfs/dbraw/zinc/84/47/88/1069844788.db2.gz XRYFPHMCARDLPH-UHFFFAOYSA-N 2 2 451.637 1.436 20 0 JDADLP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502185805 1069846913 /nfs/dbraw/zinc/84/69/13/1069846913.db2.gz PZYRVYWODIIAAY-KRWDZBQOSA-N 2 2 496.538 1.721 20 0 JDADLP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502185805 1069846917 /nfs/dbraw/zinc/84/69/17/1069846917.db2.gz PZYRVYWODIIAAY-KRWDZBQOSA-N 2 2 496.538 1.721 20 0 JDADLP CC[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502185805 1069846927 /nfs/dbraw/zinc/84/69/27/1069846927.db2.gz PZYRVYWODIIAAY-KRWDZBQOSA-N 2 2 496.538 1.721 20 0 JDADLP CC[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)CCC(F)(F)F ZINC001502185805 1069846931 /nfs/dbraw/zinc/84/69/31/1069846931.db2.gz PZYRVYWODIIAAY-KRWDZBQOSA-N 2 2 496.538 1.721 20 0 JDADLP CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001502194925 1069850506 /nfs/dbraw/zinc/85/05/06/1069850506.db2.gz YERZJUPWQKNDQK-HXUWFJFHSA-N 2 2 471.654 1.542 20 0 JDADLP CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001502194925 1069850510 /nfs/dbraw/zinc/85/05/10/1069850510.db2.gz YERZJUPWQKNDQK-HXUWFJFHSA-N 2 2 471.654 1.542 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4C)cc2)CC1 ZINC001477756088 1069854005 /nfs/dbraw/zinc/85/40/05/1069854005.db2.gz NGFBWNMNQLFQII-BJKOFHAPSA-N 2 2 457.619 1.650 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2)CC1 ZINC001477756088 1069854006 /nfs/dbraw/zinc/85/40/06/1069854006.db2.gz NGFBWNMNQLFQII-BJKOFHAPSA-N 2 2 457.619 1.650 20 0 JDADLP CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001502199580 1069855039 /nfs/dbraw/zinc/85/50/39/1069855039.db2.gz OGZLTBZRBVDJCT-VQTJNVASSA-N 2 2 468.668 1.069 20 0 JDADLP CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001502199580 1069855057 /nfs/dbraw/zinc/85/50/57/1069855057.db2.gz OGZLTBZRBVDJCT-VQTJNVASSA-N 2 2 468.668 1.069 20 0 JDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814433 1069863996 /nfs/dbraw/zinc/86/39/96/1069863996.db2.gz RQJXRDZKXDZISY-LJQANCHMSA-N 2 2 457.579 1.648 20 0 JDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814433 1069863999 /nfs/dbraw/zinc/86/39/99/1069863999.db2.gz RQJXRDZKXDZISY-LJQANCHMSA-N 2 2 457.579 1.648 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928388 1069878394 /nfs/dbraw/zinc/87/83/94/1069878394.db2.gz VOPIYLKGVOEJIQ-IFMALSPDSA-N 2 2 450.027 1.869 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928388 1069878395 /nfs/dbraw/zinc/87/83/95/1069878395.db2.gz VOPIYLKGVOEJIQ-IFMALSPDSA-N 2 2 450.027 1.869 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050122 1069892347 /nfs/dbraw/zinc/89/23/47/1069892347.db2.gz DJHNOFOYNOUWJY-ACRUOGEOSA-N 2 2 459.639 1.812 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050122 1069892348 /nfs/dbraw/zinc/89/23/48/1069892348.db2.gz DJHNOFOYNOUWJY-ACRUOGEOSA-N 2 2 459.639 1.812 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502256737 1069949138 /nfs/dbraw/zinc/94/91/38/1069949138.db2.gz BXVSUODZUSXYPY-AABGKKOBSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502256737 1069949179 /nfs/dbraw/zinc/94/91/79/1069949179.db2.gz BXVSUODZUSXYPY-AABGKKOBSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502256740 1069949304 /nfs/dbraw/zinc/94/93/04/1069949304.db2.gz BXVSUODZUSXYPY-UFYCRDLUSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502256740 1069949350 /nfs/dbraw/zinc/94/93/50/1069949350.db2.gz BXVSUODZUSXYPY-UFYCRDLUSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502257245 1069951568 /nfs/dbraw/zinc/95/15/68/1069951568.db2.gz IHMPCLBKEKPWBZ-BMQTXXJKSA-N 2 2 470.709 1.536 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502257245 1069951593 /nfs/dbraw/zinc/95/15/93/1069951593.db2.gz IHMPCLBKEKPWBZ-BMQTXXJKSA-N 2 2 470.709 1.536 20 0 JDADLP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccn1 ZINC001478345847 1069969255 /nfs/dbraw/zinc/96/92/55/1069969255.db2.gz DEMOYXDJLMQNGG-GOSISDBHSA-N 2 2 450.584 1.372 20 0 JDADLP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)ccn1 ZINC001478345847 1069969284 /nfs/dbraw/zinc/96/92/84/1069969284.db2.gz DEMOYXDJLMQNGG-GOSISDBHSA-N 2 2 450.584 1.372 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312546 1070084316 /nfs/dbraw/zinc/08/43/16/1070084316.db2.gz OELSZOYHJRQXNY-NHCUHLMSSA-N 2 2 474.698 1.813 20 0 JDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134359 1070090924 /nfs/dbraw/zinc/09/09/24/1070090924.db2.gz VQXOYSQMXCXNGM-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134359 1070090941 /nfs/dbraw/zinc/09/09/41/1070090941.db2.gz VQXOYSQMXCXNGM-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134359 1070090955 /nfs/dbraw/zinc/09/09/55/1070090955.db2.gz VQXOYSQMXCXNGM-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@H](CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134359 1070090968 /nfs/dbraw/zinc/09/09/68/1070090968.db2.gz VQXOYSQMXCXNGM-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134361 1070091406 /nfs/dbraw/zinc/09/14/06/1070091406.db2.gz VQXOYSQMXCXNGM-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134361 1070091425 /nfs/dbraw/zinc/09/14/25/1070091425.db2.gz VQXOYSQMXCXNGM-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134361 1070091442 /nfs/dbraw/zinc/09/14/42/1070091442.db2.gz VQXOYSQMXCXNGM-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134361 1070091460 /nfs/dbraw/zinc/09/14/60/1070091460.db2.gz VQXOYSQMXCXNGM-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315173 1070097889 /nfs/dbraw/zinc/09/78/89/1070097889.db2.gz IILRLHVDOLNGTB-FCHUYYIVSA-N 2 2 470.666 1.447 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315173 1070097907 /nfs/dbraw/zinc/09/79/07/1070097907.db2.gz IILRLHVDOLNGTB-FCHUYYIVSA-N 2 2 470.666 1.447 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315175 1070098233 /nfs/dbraw/zinc/09/82/33/1070098233.db2.gz IILRLHVDOLNGTB-VXKWHMMOSA-N 2 2 470.666 1.447 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315175 1070098247 /nfs/dbraw/zinc/09/82/47/1070098247.db2.gz IILRLHVDOLNGTB-VXKWHMMOSA-N 2 2 470.666 1.447 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001502315705 1070104610 /nfs/dbraw/zinc/10/46/10/1070104610.db2.gz TTYOEIPNXNZKAR-PMACEKPBSA-N 2 2 488.706 1.826 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001502315705 1070104615 /nfs/dbraw/zinc/10/46/15/1070104615.db2.gz TTYOEIPNXNZKAR-PMACEKPBSA-N 2 2 488.706 1.826 20 0 JDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248389 1070111830 /nfs/dbraw/zinc/11/18/30/1070111830.db2.gz WQHHGEBSBCIKGT-PMACEKPBSA-N 2 2 455.644 1.806 20 0 JDADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248389 1070111842 /nfs/dbraw/zinc/11/18/42/1070111842.db2.gz WQHHGEBSBCIKGT-PMACEKPBSA-N 2 2 455.644 1.806 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)CC2)CC1 ZINC001479432365 1070145467 /nfs/dbraw/zinc/14/54/67/1070145467.db2.gz HNMITRQIZDMWPW-WOJBJXKFSA-N 2 2 453.628 1.822 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3OC)CC2)CC1 ZINC001479432365 1070145484 /nfs/dbraw/zinc/14/54/84/1070145484.db2.gz HNMITRQIZDMWPW-WOJBJXKFSA-N 2 2 453.628 1.822 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001502326970 1070147338 /nfs/dbraw/zinc/14/73/38/1070147338.db2.gz GJFMBWAIRBXUBM-RTBURBONSA-N 2 2 492.650 1.039 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001502326970 1070147356 /nfs/dbraw/zinc/14/73/56/1070147356.db2.gz GJFMBWAIRBXUBM-RTBURBONSA-N 2 2 492.650 1.039 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001502326968 1070148501 /nfs/dbraw/zinc/14/85/01/1070148501.db2.gz GJFMBWAIRBXUBM-OALUTQOASA-N 2 2 492.650 1.039 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001502326968 1070148511 /nfs/dbraw/zinc/14/85/11/1070148511.db2.gz GJFMBWAIRBXUBM-OALUTQOASA-N 2 2 492.650 1.039 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001479552555 1070166348 /nfs/dbraw/zinc/16/63/48/1070166348.db2.gz DYXKBQTVLWCHSS-UHFFFAOYSA-N 2 2 451.637 1.468 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001479552555 1070166356 /nfs/dbraw/zinc/16/63/56/1070166356.db2.gz DYXKBQTVLWCHSS-UHFFFAOYSA-N 2 2 451.637 1.468 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)CC1 ZINC001502332240 1070169974 /nfs/dbraw/zinc/16/99/74/1070169974.db2.gz GQWOKQJUAWOCSY-OAQYLSRUSA-N 2 2 460.671 1.364 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332266 1070170071 /nfs/dbraw/zinc/17/00/71/1070170071.db2.gz HATGOYLCOKWXRT-RTWAWAEBSA-N 2 2 460.671 1.364 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332265 1070170374 /nfs/dbraw/zinc/17/03/74/1070170374.db2.gz HATGOYLCOKWXRT-NHCUHLMSSA-N 2 2 460.671 1.364 20 0 JDADLP Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[NH+]3CCC(C)CC3)CC2)on1 ZINC001493152751 1070215992 /nfs/dbraw/zinc/21/59/92/1070215992.db2.gz DSYCQILIQCTKMH-IBGZPJMESA-N 2 2 494.666 1.239 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345842 1070252501 /nfs/dbraw/zinc/25/25/01/1070252501.db2.gz GGFCJLBRNKGVHW-FDFHNCONSA-N 2 2 463.671 1.560 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345842 1070252525 /nfs/dbraw/zinc/25/25/25/1070252525.db2.gz GGFCJLBRNKGVHW-FDFHNCONSA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345842 1070252547 /nfs/dbraw/zinc/25/25/47/1070252547.db2.gz GGFCJLBRNKGVHW-FDFHNCONSA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502345842 1070252584 /nfs/dbraw/zinc/25/25/84/1070252584.db2.gz GGFCJLBRNKGVHW-FDFHNCONSA-N 2 2 463.671 1.560 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493795724 1070347894 /nfs/dbraw/zinc/34/78/94/1070347894.db2.gz GEUNWUSTAIAAJQ-SFTDATJTSA-N 2 2 488.681 1.281 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493795724 1070347914 /nfs/dbraw/zinc/34/79/14/1070347914.db2.gz GEUNWUSTAIAAJQ-SFTDATJTSA-N 2 2 488.681 1.281 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493795723 1070348064 /nfs/dbraw/zinc/34/80/64/1070348064.db2.gz GEUNWUSTAIAAJQ-RTWAWAEBSA-N 2 2 488.681 1.281 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795723 1070348076 /nfs/dbraw/zinc/34/80/76/1070348076.db2.gz GEUNWUSTAIAAJQ-RTWAWAEBSA-N 2 2 488.681 1.281 20 0 JDADLP C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093967 1070390456 /nfs/dbraw/zinc/39/04/56/1070390456.db2.gz DKLBKICXHJMBBN-ZCNNSNEGSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093967 1070390477 /nfs/dbraw/zinc/39/04/77/1070390477.db2.gz DKLBKICXHJMBBN-ZCNNSNEGSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093967 1070390499 /nfs/dbraw/zinc/39/04/99/1070390499.db2.gz DKLBKICXHJMBBN-ZCNNSNEGSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093967 1070390521 /nfs/dbraw/zinc/39/05/21/1070390521.db2.gz DKLBKICXHJMBBN-ZCNNSNEGSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001494093966 1070389729 /nfs/dbraw/zinc/38/97/29/1070389729.db2.gz DKLBKICXHJMBBN-VAMGGRTRSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001494093966 1070389743 /nfs/dbraw/zinc/38/97/43/1070389743.db2.gz DKLBKICXHJMBBN-VAMGGRTRSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001494097844 1070393631 /nfs/dbraw/zinc/39/36/31/1070393631.db2.gz XSCRPGAYFIUXHE-NJYVYQBISA-N 2 2 464.655 1.828 20 0 JDADLP CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001495708993 1070816736 /nfs/dbraw/zinc/81/67/36/1070816736.db2.gz BDXYZISYKWMFCB-SFTDATJTSA-N 2 2 475.682 1.771 20 0 JDADLP CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001495708990 1070816803 /nfs/dbraw/zinc/81/68/03/1070816803.db2.gz BDXYZISYKWMFCB-LEWJYISDSA-N 2 2 475.682 1.771 20 0 JDADLP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791988 1070821010 /nfs/dbraw/zinc/82/10/10/1070821010.db2.gz OUVXKEXCKUDIFC-VQTJNVASSA-N 2 2 461.655 1.645 20 0 JDADLP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791988 1070821012 /nfs/dbraw/zinc/82/10/12/1070821012.db2.gz OUVXKEXCKUDIFC-VQTJNVASSA-N 2 2 461.655 1.645 20 0 JDADLP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791985 1070821050 /nfs/dbraw/zinc/82/10/50/1070821050.db2.gz OUVXKEXCKUDIFC-UXHICEINSA-N 2 2 461.655 1.645 20 0 JDADLP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791985 1070821052 /nfs/dbraw/zinc/82/10/52/1070821052.db2.gz OUVXKEXCKUDIFC-UXHICEINSA-N 2 2 461.655 1.645 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726414 1070837272 /nfs/dbraw/zinc/83/72/72/1070837272.db2.gz VGLSIFMPFNBESP-YKSBVNFPSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726414 1070837273 /nfs/dbraw/zinc/83/72/73/1070837273.db2.gz VGLSIFMPFNBESP-YKSBVNFPSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726414 1070837274 /nfs/dbraw/zinc/83/72/74/1070837274.db2.gz VGLSIFMPFNBESP-YKSBVNFPSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726414 1070837275 /nfs/dbraw/zinc/83/72/75/1070837275.db2.gz VGLSIFMPFNBESP-YKSBVNFPSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726412 1070837339 /nfs/dbraw/zinc/83/73/39/1070837339.db2.gz VGLSIFMPFNBESP-HYBUGGRVSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726412 1070837342 /nfs/dbraw/zinc/83/73/42/1070837342.db2.gz VGLSIFMPFNBESP-HYBUGGRVSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726412 1070837347 /nfs/dbraw/zinc/83/73/47/1070837347.db2.gz VGLSIFMPFNBESP-HYBUGGRVSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726412 1070837350 /nfs/dbraw/zinc/83/73/50/1070837350.db2.gz VGLSIFMPFNBESP-HYBUGGRVSA-N 2 2 480.654 1.198 20 0 JDADLP CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503058712 1071014376 /nfs/dbraw/zinc/01/43/76/1071014376.db2.gz SWWNJKQBPXEHPT-NJYVYQBISA-N 2 2 464.655 1.861 20 0 JDADLP CCOCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001503058712 1071014396 /nfs/dbraw/zinc/01/43/96/1071014396.db2.gz SWWNJKQBPXEHPT-NJYVYQBISA-N 2 2 464.655 1.861 20 0 JDADLP COc1ccc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](C)[NH+](C)C)CC2)cc1F ZINC001504285451 1071011867 /nfs/dbraw/zinc/01/18/67/1071011867.db2.gz FDORAURBMXHGRP-QFBILLFUSA-N 2 2 459.570 1.649 20 0 JDADLP CCOCc1nnc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503058714 1071014735 /nfs/dbraw/zinc/01/47/35/1071014735.db2.gz SWWNJKQBPXEHPT-PCCBWWKXSA-N 2 2 464.655 1.861 20 0 JDADLP CCOCc1nnc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001503058714 1071014759 /nfs/dbraw/zinc/01/47/59/1071014759.db2.gz SWWNJKQBPXEHPT-PCCBWWKXSA-N 2 2 464.655 1.861 20 0 JDADLP CCOCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060908 1071017085 /nfs/dbraw/zinc/01/70/85/1071017085.db2.gz LAXKFJPLAWJZQQ-FGZHOGPDSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060908 1071017107 /nfs/dbraw/zinc/01/71/07/1071017107.db2.gz LAXKFJPLAWJZQQ-FGZHOGPDSA-N 2 2 463.671 1.388 20 0 JDADLP COc1cccc([C@@H](C)[NH+]2CCN(c3nnc(C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)c1 ZINC001504321494 1071055564 /nfs/dbraw/zinc/05/55/64/1071055564.db2.gz ASADAKFSXMMFSB-LJQANCHMSA-N 2 2 455.607 1.642 20 0 JDADLP COc1cccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)c1 ZINC001504343563 1071073809 /nfs/dbraw/zinc/07/38/09/1071073809.db2.gz UMIANGIEUNOOBH-IBGZPJMESA-N 2 2 455.607 1.648 20 0 JDADLP CCOCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503117473 1071082355 /nfs/dbraw/zinc/08/23/55/1071082355.db2.gz OINBRHOEGLOFNH-HSZRJFAPSA-N 2 2 479.025 1.736 20 0 JDADLP CCOCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503117473 1071082369 /nfs/dbraw/zinc/08/23/69/1071082369.db2.gz OINBRHOEGLOFNH-HSZRJFAPSA-N 2 2 479.025 1.736 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503218026 1071169271 /nfs/dbraw/zinc/16/92/71/1071169271.db2.gz GILLBBGEZBENKD-UHFFFAOYSA-N 2 2 485.633 1.276 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001503219455 1071172293 /nfs/dbraw/zinc/17/22/93/1071172293.db2.gz DAHBLEGHZRZWCT-UHFFFAOYSA-N 2 2 457.623 1.918 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001503219455 1071172304 /nfs/dbraw/zinc/17/23/04/1071172304.db2.gz DAHBLEGHZRZWCT-UHFFFAOYSA-N 2 2 457.623 1.918 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223094 1071185953 /nfs/dbraw/zinc/18/59/53/1071185953.db2.gz LOCMLTDQCMTUAH-NHCUHLMSSA-N 2 2 450.628 1.299 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001503222681 1071184118 /nfs/dbraw/zinc/18/41/18/1071184118.db2.gz IGFWKHDJWXUXAM-YADHBBJMSA-N 2 2 463.671 1.357 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001503225377 1071194852 /nfs/dbraw/zinc/19/48/52/1071194852.db2.gz XUAHKGMBGDHVJT-HXUWFJFHSA-N 2 2 460.598 1.887 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504454666 1071226672 /nfs/dbraw/zinc/22/66/72/1071226672.db2.gz SKVBFAJQAMZACY-WIYYLYMNSA-N 2 2 498.632 1.247 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504454666 1071226697 /nfs/dbraw/zinc/22/66/97/1071226697.db2.gz SKVBFAJQAMZACY-WIYYLYMNSA-N 2 2 498.632 1.247 20 0 JDADLP COC1CC[NH+](C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001504490903 1071267290 /nfs/dbraw/zinc/26/72/90/1071267290.db2.gz VNWULIQQUWGVPE-UHFFFAOYSA-N 2 2 465.643 1.074 20 0 JDADLP COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001504491569 1071268330 /nfs/dbraw/zinc/26/83/30/1071268330.db2.gz HMYWDNBIJYLQPD-IBGZPJMESA-N 2 2 496.722 1.990 20 0 JDADLP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001504857974 1071780339 /nfs/dbraw/zinc/78/03/39/1071780339.db2.gz SMNMECGFPBSNTJ-OALUTQOASA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC001504857974 1071780354 /nfs/dbraw/zinc/78/03/54/1071780354.db2.gz SMNMECGFPBSNTJ-OALUTQOASA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001504857974 1071780369 /nfs/dbraw/zinc/78/03/69/1071780369.db2.gz SMNMECGFPBSNTJ-OALUTQOASA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001504857974 1071780382 /nfs/dbraw/zinc/78/03/82/1071780382.db2.gz SMNMECGFPBSNTJ-OALUTQOASA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001504911529 1071867718 /nfs/dbraw/zinc/86/77/18/1071867718.db2.gz VNBIBLCMXLKFEM-XXBNENTESA-N 2 2 461.611 1.681 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001504911529 1071867723 /nfs/dbraw/zinc/86/77/23/1071867723.db2.gz VNBIBLCMXLKFEM-XXBNENTESA-N 2 2 461.611 1.681 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001504911523 1071867748 /nfs/dbraw/zinc/86/77/48/1071867748.db2.gz VNBIBLCMXLKFEM-CVDCTZTESA-N 2 2 461.611 1.681 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001504911523 1071867754 /nfs/dbraw/zinc/86/77/54/1071867754.db2.gz VNBIBLCMXLKFEM-CVDCTZTESA-N 2 2 461.611 1.681 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504918886 1071887512 /nfs/dbraw/zinc/88/75/12/1071887512.db2.gz DLCUWYDSMPRNHZ-GOSISDBHSA-N 2 2 464.561 1.636 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504920243 1071892339 /nfs/dbraw/zinc/89/23/39/1071892339.db2.gz PKBCRCHEMXHBMX-VSKRKVRLSA-N 2 2 464.655 1.686 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504920243 1071892341 /nfs/dbraw/zinc/89/23/41/1071892341.db2.gz PKBCRCHEMXHBMX-VSKRKVRLSA-N 2 2 464.655 1.686 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[NH+]1CCCCCC1 ZINC001503618118 1071903867 /nfs/dbraw/zinc/90/38/67/1071903867.db2.gz FPGABKXCOAMCPS-UHFFFAOYSA-N 2 2 490.674 1.993 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503618328 1071904959 /nfs/dbraw/zinc/90/49/59/1071904959.db2.gz GJJLMBSZHGYOOV-UHFFFAOYSA-N 2 2 457.623 1.998 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503618328 1071904964 /nfs/dbraw/zinc/90/49/64/1071904964.db2.gz GJJLMBSZHGYOOV-UHFFFAOYSA-N 2 2 457.623 1.998 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503618328 1071904974 /nfs/dbraw/zinc/90/49/74/1071904974.db2.gz GJJLMBSZHGYOOV-UHFFFAOYSA-N 2 2 457.623 1.998 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(-c2cccnc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503618328 1071904981 /nfs/dbraw/zinc/90/49/81/1071904981.db2.gz GJJLMBSZHGYOOV-UHFFFAOYSA-N 2 2 457.623 1.998 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504923225 1071899598 /nfs/dbraw/zinc/89/95/98/1071899598.db2.gz SRQPQBRBNPQCBH-SFHVURJKSA-N 2 2 477.679 1.902 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504923225 1071899600 /nfs/dbraw/zinc/89/96/00/1071899600.db2.gz SRQPQBRBNPQCBH-SFHVURJKSA-N 2 2 477.679 1.902 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504925604 1071914307 /nfs/dbraw/zinc/91/43/07/1071914307.db2.gz FKQJFXAZBYTDTL-PWRODBHTSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504925604 1071914313 /nfs/dbraw/zinc/91/43/13/1071914313.db2.gz FKQJFXAZBYTDTL-PWRODBHTSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001504925683 1071914731 /nfs/dbraw/zinc/91/47/31/1071914731.db2.gz KLAKGPIGZBRTGQ-LJQANCHMSA-N 2 2 475.663 1.251 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001504925683 1071914745 /nfs/dbraw/zinc/91/47/45/1071914745.db2.gz KLAKGPIGZBRTGQ-LJQANCHMSA-N 2 2 475.663 1.251 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001504926008 1071916484 /nfs/dbraw/zinc/91/64/84/1071916484.db2.gz HHYMCWXONCXLMO-ACRUOGEOSA-N 2 2 480.654 1.270 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCOCC2(C)C)C[C@@H]1C ZINC001504926008 1071916493 /nfs/dbraw/zinc/91/64/93/1071916493.db2.gz HHYMCWXONCXLMO-ACRUOGEOSA-N 2 2 480.654 1.270 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001504926008 1071916499 /nfs/dbraw/zinc/91/64/99/1071916499.db2.gz HHYMCWXONCXLMO-ACRUOGEOSA-N 2 2 480.654 1.270 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1C ZINC001504926008 1071916502 /nfs/dbraw/zinc/91/65/02/1071916502.db2.gz HHYMCWXONCXLMO-ACRUOGEOSA-N 2 2 480.654 1.270 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001504926386 1071918254 /nfs/dbraw/zinc/91/82/54/1071918254.db2.gz QQQMSKLNFOINFW-UHFFFAOYSA-N 2 2 491.662 1.149 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCCC[NH+]1CCOCC1 ZINC001503622592 1071920825 /nfs/dbraw/zinc/92/08/25/1071920825.db2.gz LKPGBVVLMWYWNR-FQEVSTJZSA-N 2 2 450.628 1.441 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1CCCC[NH+]1CCOCC1 ZINC001503622592 1071920811 /nfs/dbraw/zinc/92/08/11/1071920811.db2.gz LKPGBVVLMWYWNR-FQEVSTJZSA-N 2 2 450.628 1.441 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503686828 1072019104 /nfs/dbraw/zinc/01/91/04/1072019104.db2.gz XQFZSAASACQJIU-CYFREDJKSA-N 2 2 493.653 1.185 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503686828 1072019108 /nfs/dbraw/zinc/01/91/08/1072019108.db2.gz XQFZSAASACQJIU-CYFREDJKSA-N 2 2 493.653 1.185 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504986830 1072038245 /nfs/dbraw/zinc/03/82/45/1072038245.db2.gz GDSTUWALUNCMBM-OFNKIYASSA-N 2 2 482.695 1.740 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001504988254 1072042014 /nfs/dbraw/zinc/04/20/14/1072042014.db2.gz MQFAFXDCTXDUQP-HXUWFJFHSA-N 2 2 473.622 1.812 20 0 JDADLP C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001464847428 1067675481 /nfs/dbraw/zinc/67/54/81/1067675481.db2.gz WNZNMADSBWZIIX-PGRDOPGGSA-N 2 2 455.603 1.592 20 0 JDADLP CN(C(=O)c1ccc(F)cc1Br)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464848000 1067675489 /nfs/dbraw/zinc/67/54/89/1067675489.db2.gz YOHOYSGVJLEXBW-UHFFFAOYSA-N 2 2 455.372 1.899 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001464871272 1067680008 /nfs/dbraw/zinc/68/00/08/1067680008.db2.gz NPPGPEMBWYBAGL-UHFFFAOYSA-N 2 2 452.621 1.114 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001464871272 1067680013 /nfs/dbraw/zinc/68/00/13/1067680013.db2.gz NPPGPEMBWYBAGL-UHFFFAOYSA-N 2 2 452.621 1.114 20 0 JDADLP CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001464882400 1067683080 /nfs/dbraw/zinc/68/30/80/1067683080.db2.gz QMHUHGKZFSNCGA-HXUWFJFHSA-N 2 2 455.644 1.526 20 0 JDADLP CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001464882400 1067683095 /nfs/dbraw/zinc/68/30/95/1067683095.db2.gz QMHUHGKZFSNCGA-HXUWFJFHSA-N 2 2 455.644 1.526 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C2)CC1 ZINC001465000367 1067723212 /nfs/dbraw/zinc/72/32/12/1067723212.db2.gz FAYKNMQMUCPRJJ-ICSRJNTNSA-N 2 2 450.605 1.042 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)C2)CC1 ZINC001465000367 1067723220 /nfs/dbraw/zinc/72/32/20/1067723220.db2.gz FAYKNMQMUCPRJJ-ICSRJNTNSA-N 2 2 450.605 1.042 20 0 JDADLP Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465001914 1067725301 /nfs/dbraw/zinc/72/53/01/1067725301.db2.gz LZOBOXSHDRMZQD-HNNXBMFYSA-N 2 2 453.513 1.977 20 0 JDADLP Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465001914 1067725310 /nfs/dbraw/zinc/72/53/10/1067725310.db2.gz LZOBOXSHDRMZQD-HNNXBMFYSA-N 2 2 453.513 1.977 20 0 JDADLP CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc(C(C)C)nc21 ZINC001465005004 1067726451 /nfs/dbraw/zinc/72/64/51/1067726451.db2.gz SNTJEJOTLLUFHN-INIZCTEOSA-N 2 2 456.591 1.929 20 0 JDADLP CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc(C(C)C)nc21 ZINC001465005004 1067726458 /nfs/dbraw/zinc/72/64/58/1067726458.db2.gz SNTJEJOTLLUFHN-INIZCTEOSA-N 2 2 456.591 1.929 20 0 JDADLP CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465024086 1067729700 /nfs/dbraw/zinc/72/97/00/1067729700.db2.gz XGTTXJWGUXSDSP-MOPGFXCFSA-N 2 2 451.637 1.607 20 0 JDADLP CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465024086 1067729707 /nfs/dbraw/zinc/72/97/07/1067729707.db2.gz XGTTXJWGUXSDSP-MOPGFXCFSA-N 2 2 451.637 1.607 20 0 JDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001466042961 1067853577 /nfs/dbraw/zinc/85/35/77/1067853577.db2.gz YVEWGAYGZYRVDQ-LJQANCHMSA-N 2 2 452.625 1.540 20 0 JDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001467604746 1068036377 /nfs/dbraw/zinc/03/63/77/1068036377.db2.gz ZIJFPESVEUUAKZ-WIOPSUGQSA-N 2 2 456.679 1.992 20 0 JDADLP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CC[N@H+](C)C1 ZINC001468285011 1068223948 /nfs/dbraw/zinc/22/39/48/1068223948.db2.gz IGTHERDDINPXGK-GOSISDBHSA-N 2 2 451.999 1.598 20 0 JDADLP COC(=O)[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CC[N@@H+](C)C1 ZINC001468285011 1068223971 /nfs/dbraw/zinc/22/39/71/1068223971.db2.gz IGTHERDDINPXGK-GOSISDBHSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001468410895 1068271895 /nfs/dbraw/zinc/27/18/95/1068271895.db2.gz KPIZCWUYXPWKKM-QHCPKHFHSA-N 2 2 453.628 1.870 20 0 JDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001468501258 1068300020 /nfs/dbraw/zinc/30/00/20/1068300020.db2.gz SJAWNQKPRBLPGJ-AZUAARDMSA-N 2 2 451.587 1.363 20 0 JDADLP COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cc1 ZINC001468874202 1068385129 /nfs/dbraw/zinc/38/51/29/1068385129.db2.gz ZGAZNYWOHQIARZ-OAQYLSRUSA-N 2 2 457.619 1.650 20 0 JDADLP COc1ccc(CCC(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cc1 ZINC001468874202 1068385143 /nfs/dbraw/zinc/38/51/43/1068385143.db2.gz ZGAZNYWOHQIARZ-OAQYLSRUSA-N 2 2 457.619 1.650 20 0 JDADLP CN(C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001469025270 1068429085 /nfs/dbraw/zinc/42/90/85/1068429085.db2.gz HWCRNYGMIWRBEN-PWRODBHTSA-N 2 2 459.639 1.894 20 0 JDADLP CN(C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001469025270 1068429093 /nfs/dbraw/zinc/42/90/93/1068429093.db2.gz HWCRNYGMIWRBEN-PWRODBHTSA-N 2 2 459.639 1.894 20 0 JDADLP CN(C)c1[nH+]cc(CNC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)n1C ZINC001469180741 1068460353 /nfs/dbraw/zinc/46/03/53/1068460353.db2.gz OJXQXCIKTMPKJH-UHFFFAOYSA-N 2 2 455.607 1.657 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)CC2)CC1 ZINC001469768504 1068585001 /nfs/dbraw/zinc/58/50/01/1068585001.db2.gz ZCXYWDCIGZPCPT-UHFFFAOYSA-N 2 2 457.685 1.781 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CCN(S(=O)(=O)C(C)(C)C)CC3)CC2)CC1 ZINC001469768504 1068585029 /nfs/dbraw/zinc/58/50/29/1068585029.db2.gz ZCXYWDCIGZPCPT-UHFFFAOYSA-N 2 2 457.685 1.781 20 0 JDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824838 /nfs/dbraw/zinc/82/48/38/1068824838.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824839 /nfs/dbraw/zinc/82/48/39/1068824839.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824840 /nfs/dbraw/zinc/82/48/40/1068824840.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936753 1068824841 /nfs/dbraw/zinc/82/48/41/1068824841.db2.gz ULSGMUGYQFZFCQ-AOYPEHQESA-N 2 2 451.615 1.739 20 0 JDADLP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001471322854 1068854174 /nfs/dbraw/zinc/85/41/74/1068854174.db2.gz QYEZWLCZTZEIPG-IBGZPJMESA-N 2 2 453.628 1.729 20 0 JDADLP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499642661 1069024644 /nfs/dbraw/zinc/02/46/44/1069024644.db2.gz PYIQTACIZSDOAT-HSALFYBXSA-N 2 2 473.622 1.859 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001499727013 1069057167 /nfs/dbraw/zinc/05/71/67/1069057167.db2.gz AUSYLOXUWFBFHP-FDFHNCONSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001499727013 1069057170 /nfs/dbraw/zinc/05/71/70/1069057170.db2.gz AUSYLOXUWFBFHP-FDFHNCONSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001499727013 1069057172 /nfs/dbraw/zinc/05/71/72/1069057172.db2.gz AUSYLOXUWFBFHP-FDFHNCONSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001499727013 1069057173 /nfs/dbraw/zinc/05/71/73/1069057173.db2.gz AUSYLOXUWFBFHP-FDFHNCONSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001499727796 1069059654 /nfs/dbraw/zinc/05/96/54/1069059654.db2.gz IBDFKYZBBOINPW-RBUKOAKNSA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001499727796 1069059658 /nfs/dbraw/zinc/05/96/58/1069059658.db2.gz IBDFKYZBBOINPW-RBUKOAKNSA-N 2 2 468.668 1.212 20 0 JDADLP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473248520 1069106185 /nfs/dbraw/zinc/10/61/85/1069106185.db2.gz UOKUMWFBXHMJDR-CTNGQTDRSA-N 2 2 458.603 1.549 20 0 JDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@H](C)C1 ZINC001473406235 1069140208 /nfs/dbraw/zinc/14/02/08/1069140208.db2.gz GDRAQQCPAASVRS-HLIPFELVSA-N 2 2 452.621 1.338 20 0 JDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@H](C)C1 ZINC001473406235 1069140216 /nfs/dbraw/zinc/14/02/16/1069140216.db2.gz GDRAQQCPAASVRS-HLIPFELVSA-N 2 2 452.621 1.338 20 0 JDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[C@@H](C)C1 ZINC001473406238 1069140864 /nfs/dbraw/zinc/14/08/64/1069140864.db2.gz GDRAQQCPAASVRS-ZWOKBUDYSA-N 2 2 452.621 1.338 20 0 JDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[C@@H](C)C1 ZINC001473406238 1069140870 /nfs/dbraw/zinc/14/08/70/1069140870.db2.gz GDRAQQCPAASVRS-ZWOKBUDYSA-N 2 2 452.621 1.338 20 0 JDADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473461774 1069156972 /nfs/dbraw/zinc/15/69/72/1069156972.db2.gz CBYPRJVHKRCCLK-LJQANCHMSA-N 2 2 459.616 1.411 20 0 JDADLP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473461774 1069156983 /nfs/dbraw/zinc/15/69/83/1069156983.db2.gz CBYPRJVHKRCCLK-LJQANCHMSA-N 2 2 459.616 1.411 20 0 JDADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CC2)CC1 ZINC001473561188 1069181954 /nfs/dbraw/zinc/18/19/54/1069181954.db2.gz ITZDRGNTRPBFPA-UHFFFAOYSA-N 2 2 459.591 1.988 20 0 JDADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CC2)CC1 ZINC001473561188 1069181972 /nfs/dbraw/zinc/18/19/72/1069181972.db2.gz ITZDRGNTRPBFPA-UHFFFAOYSA-N 2 2 459.591 1.988 20 0 JDADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001473615319 1069192075 /nfs/dbraw/zinc/19/20/75/1069192075.db2.gz YQYDTZDSPIGDEC-VAMGGRTRSA-N 2 2 461.607 1.980 20 0 JDADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001473615319 1069192083 /nfs/dbraw/zinc/19/20/83/1069192083.db2.gz YQYDTZDSPIGDEC-VAMGGRTRSA-N 2 2 461.607 1.980 20 0 JDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[NH+](CCc4ccncc4)CC3)CC2)cc1 ZINC001473720887 1069216274 /nfs/dbraw/zinc/21/62/74/1069216274.db2.gz DIOZBXPOSXUDSH-UHFFFAOYSA-N 2 2 451.615 1.985 20 0 JDADLP COc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH+](CCc4ccncc4)CC3)CC2)cc1 ZINC001473720887 1069216290 /nfs/dbraw/zinc/21/62/90/1069216290.db2.gz DIOZBXPOSXUDSH-UHFFFAOYSA-N 2 2 451.615 1.985 20 0 JDADLP NS(=O)(=O)c1ccc(C2CC[NH+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC001473836952 1069230779 /nfs/dbraw/zinc/23/07/79/1069230779.db2.gz JNUYONQKHQHHGD-UHFFFAOYSA-N 2 2 457.600 1.647 20 0 JDADLP O=S1(=O)C[C@H](N2CCOCC2)[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)C1 ZINC001473999998 1069239051 /nfs/dbraw/zinc/23/90/51/1069239051.db2.gz XRMFABMXKRVCJQ-MOPGFXCFSA-N 2 2 454.980 1.203 20 0 JDADLP O=C1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CN1CC[NH+]1CCOCC1 ZINC001474017753 1069239323 /nfs/dbraw/zinc/23/93/23/1069239323.db2.gz KNFPBTAGEBHHDP-AWEZNQCLSA-N 2 2 454.394 1.923 20 0 JDADLP CCCC[N@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001500417183 1069248829 /nfs/dbraw/zinc/24/88/29/1069248829.db2.gz KNAKZRLXZVQDCK-NHCUHLMSSA-N 2 2 461.655 1.647 20 0 JDADLP CCCC[N@@H+](C)CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001500417183 1069248844 /nfs/dbraw/zinc/24/88/44/1069248844.db2.gz KNAKZRLXZVQDCK-NHCUHLMSSA-N 2 2 461.655 1.647 20 0 JDADLP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCOCC2(C)C)C1 ZINC001500703140 1069297413 /nfs/dbraw/zinc/29/74/13/1069297413.db2.gz MNIHJUQQIARXDN-HXUWFJFHSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCOCC2(C)C)C1 ZINC001500703140 1069297436 /nfs/dbraw/zinc/29/74/36/1069297436.db2.gz MNIHJUQQIARXDN-HXUWFJFHSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[NH+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001500703140 1069297458 /nfs/dbraw/zinc/29/74/58/1069297458.db2.gz MNIHJUQQIARXDN-HXUWFJFHSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[NH+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001500703140 1069297485 /nfs/dbraw/zinc/29/74/85/1069297485.db2.gz MNIHJUQQIARXDN-HXUWFJFHSA-N 2 2 461.655 1.793 20 0 JDADLP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001500725596 1069305709 /nfs/dbraw/zinc/30/57/09/1069305709.db2.gz PQCNJTNJPHSGKU-QFIPXVFZSA-N 2 2 468.650 1.596 20 0 JDADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001500725596 1069305725 /nfs/dbraw/zinc/30/57/25/1069305725.db2.gz PQCNJTNJPHSGKU-QFIPXVFZSA-N 2 2 468.650 1.596 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508268496 1073036243 /nfs/dbraw/zinc/03/62/43/1073036243.db2.gz HZYPVMAYRZSTNZ-YFNKSVMNSA-N 2 2 489.709 1.822 20 0 JDADLP CC(C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001508998823 1073470047 /nfs/dbraw/zinc/47/00/47/1073470047.db2.gz BBHJFMPNWVDPSO-FQEVSTJZSA-N 2 2 461.655 1.645 20 0 JDADLP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001509010718 1073474562 /nfs/dbraw/zinc/47/45/62/1073474562.db2.gz ARDYCRGPRIMAFM-HSZRJFAPSA-N 2 2 499.704 1.989 20 0 JDADLP CC(C)c1nnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001509010718 1073474582 /nfs/dbraw/zinc/47/45/82/1073474582.db2.gz ARDYCRGPRIMAFM-HSZRJFAPSA-N 2 2 499.704 1.989 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001509015819 1073479149 /nfs/dbraw/zinc/47/91/49/1073479149.db2.gz VVRNATKILZSOPG-HSZRJFAPSA-N 2 2 477.698 1.745 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001509015819 1073479162 /nfs/dbraw/zinc/47/91/62/1073479162.db2.gz VVRNATKILZSOPG-HSZRJFAPSA-N 2 2 477.698 1.745 20 0 JDADLP CC(C)C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001509113783 1073505358 /nfs/dbraw/zinc/50/53/58/1073505358.db2.gz OBCWMLZPQQWNHH-WIYYLYMNSA-N 2 2 471.654 1.444 20 0 JDADLP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001509207559 1073531133 /nfs/dbraw/zinc/53/11/33/1073531133.db2.gz KENMIOJRAOYLSS-FQEVSTJZSA-N 2 2 454.623 1.729 20 0 JDADLP CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001509207559 1073531151 /nfs/dbraw/zinc/53/11/51/1073531151.db2.gz KENMIOJRAOYLSS-FQEVSTJZSA-N 2 2 454.623 1.729 20 0 JDADLP CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001509208834 1073531931 /nfs/dbraw/zinc/53/19/31/1073531931.db2.gz MQCVPUQQSIIJHP-QFIPXVFZSA-N 2 2 489.709 1.845 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001509406368 1073585673 /nfs/dbraw/zinc/58/56/73/1073585673.db2.gz UVYQEOYUFGNPSW-URXFXBBRSA-N 2 2 464.655 1.817 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001509406368 1073585679 /nfs/dbraw/zinc/58/56/79/1073585679.db2.gz UVYQEOYUFGNPSW-URXFXBBRSA-N 2 2 464.655 1.817 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001509432659 1073612067 /nfs/dbraw/zinc/61/20/67/1073612067.db2.gz MWQHOUJMYHRDGB-LJQANCHMSA-N 2 2 475.663 1.768 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001509432659 1073612076 /nfs/dbraw/zinc/61/20/76/1073612076.db2.gz MWQHOUJMYHRDGB-LJQANCHMSA-N 2 2 475.663 1.768 20 0 JDADLP CC(C)[N@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001509515692 1073659371 /nfs/dbraw/zinc/65/93/71/1073659371.db2.gz DIZDJNDBPQQPED-NRFANRHFSA-N 2 2 485.681 1.932 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001509515692 1073659377 /nfs/dbraw/zinc/65/93/77/1073659377.db2.gz DIZDJNDBPQQPED-NRFANRHFSA-N 2 2 485.681 1.932 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001509625566 1073748944 /nfs/dbraw/zinc/74/89/44/1073748944.db2.gz HHOIGVACBRCUGD-VWLOTQADSA-N 2 2 487.624 1.988 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001509625566 1073748956 /nfs/dbraw/zinc/74/89/56/1073748956.db2.gz HHOIGVACBRCUGD-VWLOTQADSA-N 2 2 487.624 1.988 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001509639271 1073752678 /nfs/dbraw/zinc/75/26/78/1073752678.db2.gz RXTKRNVSEMKINY-NHCUHLMSSA-N 2 2 461.655 1.838 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CC[C@@H]3[NH2+]CC[C@H]31)nc2N1CCOCC1 ZINC001164411160 718875832 /nfs/dbraw/zinc/87/58/32/718875832.db2.gz NLGYEUFFCWZYCU-KAGYGMCKSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CC[C@@H]3[NH2+]CC[C@H]31)nc2N1CCOCC1 ZINC001164411160 718875833 /nfs/dbraw/zinc/87/58/33/718875833.db2.gz NLGYEUFFCWZYCU-KAGYGMCKSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@H]3[NH2+]C[C@@H]31)nc2N1CCOCC1 ZINC001164447125 718999291 /nfs/dbraw/zinc/99/92/91/718999291.db2.gz AWOZQHSXEOCSDE-UZKOGDIHSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@H]3[NH2+]C[C@@H]31)nc2N1CCOCC1 ZINC001164447125 718999294 /nfs/dbraw/zinc/99/92/94/718999294.db2.gz AWOZQHSXEOCSDE-UZKOGDIHSA-N 2 2 499.685 1.375 20 0 JDADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164615181 719016110 /nfs/dbraw/zinc/01/61/10/719016110.db2.gz HGMYXDKZDVCEDC-AKIFATBCSA-N 2 2 463.582 1.769 20 0 JDADLP CN(C)C(=O)CN1CC[C@]2(CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2c2ccccc2)C1=O ZINC001164629742 719143144 /nfs/dbraw/zinc/14/31/44/719143144.db2.gz DGDKQCRUQWFPMG-AJTFRIOCSA-N 2 2 476.625 1.744 20 0 JDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633160 719229284 /nfs/dbraw/zinc/22/92/84/719229284.db2.gz DGXKKIGNZMZRKB-QZTJIDSGSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633160 719229293 /nfs/dbraw/zinc/22/92/93/719229293.db2.gz DGXKKIGNZMZRKB-QZTJIDSGSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633160 719229300 /nfs/dbraw/zinc/22/93/00/719229300.db2.gz DGXKKIGNZMZRKB-QZTJIDSGSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633160 719229304 /nfs/dbraw/zinc/22/93/04/719229304.db2.gz DGXKKIGNZMZRKB-QZTJIDSGSA-N 2 2 459.664 1.804 20 0 JDADLP Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)cc1 ZINC001164673957 719518918 /nfs/dbraw/zinc/51/89/18/719518918.db2.gz VNXIOGDWRAMQCL-UHFFFAOYSA-N 2 2 468.577 1.927 20 0 JDADLP Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)CC3)cc1 ZINC001164673957 719518930 /nfs/dbraw/zinc/51/89/30/719518930.db2.gz VNXIOGDWRAMQCL-UHFFFAOYSA-N 2 2 468.577 1.927 20 0 JDADLP Cn1nnc2c1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718765 720179964 /nfs/dbraw/zinc/17/99/64/720179964.db2.gz QQVHMFSXCSXCHN-QFIPXVFZSA-N 2 2 476.585 1.707 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC001164829556 720336941 /nfs/dbraw/zinc/33/69/41/720336941.db2.gz SLKAUNWIPCLTNG-SFTDATJTSA-N 2 2 468.650 1.984 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC001164829556 720336951 /nfs/dbraw/zinc/33/69/51/720336951.db2.gz SLKAUNWIPCLTNG-SFTDATJTSA-N 2 2 468.650 1.984 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(N5CCOCC5)[nH+]4)CC3)C2=O)cs1 ZINC001164820373 720376557 /nfs/dbraw/zinc/37/65/57/720376557.db2.gz PBHZVTNPGNQEFE-UHFFFAOYSA-N 2 2 456.616 1.996 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(N5CCOCC5)[nH+]4)CC3)C2=O)cs1 ZINC001164820373 720376564 /nfs/dbraw/zinc/37/65/64/720376564.db2.gz PBHZVTNPGNQEFE-UHFFFAOYSA-N 2 2 456.616 1.996 20 0 JDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164830229 720467218 /nfs/dbraw/zinc/46/72/18/720467218.db2.gz JNAKMFNPNSIWPY-OAQYLSRUSA-N 2 2 470.618 1.742 20 0 JDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@H]2C1 ZINC001164862930 720871831 /nfs/dbraw/zinc/87/18/31/720871831.db2.gz SBSODPQOTOIYSV-FPOVZHCZSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@H]2C1 ZINC001164862930 720871832 /nfs/dbraw/zinc/87/18/32/720871832.db2.gz SBSODPQOTOIYSV-FPOVZHCZSA-N 2 2 471.583 1.842 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773558 721288368 /nfs/dbraw/zinc/28/83/68/721288368.db2.gz RPFWTRYBMYZBNK-RXVVDRJESA-N 2 2 467.570 1.843 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773558 721288375 /nfs/dbraw/zinc/28/83/75/721288375.db2.gz RPFWTRYBMYZBNK-RXVVDRJESA-N 2 2 467.570 1.843 20 0 JDADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791298 721470347 /nfs/dbraw/zinc/47/03/47/721470347.db2.gz WRMRAWOVQKWNBX-RTWAWAEBSA-N 2 2 472.634 1.665 20 0 JDADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791298 721470351 /nfs/dbraw/zinc/47/03/51/721470351.db2.gz WRMRAWOVQKWNBX-RTWAWAEBSA-N 2 2 472.634 1.665 20 0 JDADLP O=S1(=O)Cc2cn(-c3ncccc3C[NH+]3CCCC3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@@H]21 ZINC001164793636 721475954 /nfs/dbraw/zinc/47/59/54/721475954.db2.gz WZIRVWXHYMIXHW-PMACEKPBSA-N 2 2 454.600 1.158 20 0 JDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)CC1 ZINC001164794912 721510225 /nfs/dbraw/zinc/51/02/25/721510225.db2.gz YIPDLMRTHAGCGS-UHFFFAOYSA-N 2 2 458.614 1.999 20 0 JDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)CC1 ZINC001164794912 721510228 /nfs/dbraw/zinc/51/02/28/721510228.db2.gz YIPDLMRTHAGCGS-UHFFFAOYSA-N 2 2 458.614 1.999 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164897228 721510250 /nfs/dbraw/zinc/51/02/50/721510250.db2.gz FMHKHTANLVHHRZ-SJLPKXTDSA-N 2 2 461.563 1.049 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164897228 721510251 /nfs/dbraw/zinc/51/02/51/721510251.db2.gz FMHKHTANLVHHRZ-SJLPKXTDSA-N 2 2 461.563 1.049 20 0 JDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164802336 721573718 /nfs/dbraw/zinc/57/37/18/721573718.db2.gz ICHQCMUPNSGFOL-BHDDXSALSA-N 2 2 451.575 1.180 20 0 JDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]2CCCO[C@@H]12 ZINC001164802336 721573722 /nfs/dbraw/zinc/57/37/22/721573722.db2.gz ICHQCMUPNSGFOL-BHDDXSALSA-N 2 2 451.575 1.180 20 0 JDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164802350 721573784 /nfs/dbraw/zinc/57/37/84/721573784.db2.gz ICHQCMUPNSGFOL-YPAWHYETSA-N 2 2 451.575 1.180 20 0 JDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]2CCCO[C@@H]12 ZINC001164802350 721573786 /nfs/dbraw/zinc/57/37/86/721573786.db2.gz ICHQCMUPNSGFOL-YPAWHYETSA-N 2 2 451.575 1.180 20 0 JDADLP CCc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(N2CCOCC2)[nH+]1 ZINC001164917095 721789580 /nfs/dbraw/zinc/78/95/80/721789580.db2.gz WRJHBHWXAJIDNX-XMMPIXPASA-N 2 2 454.575 1.378 20 0 JDADLP CCc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(N2CCOCC2)[nH+]1 ZINC001164917095 721789583 /nfs/dbraw/zinc/78/95/83/721789583.db2.gz WRJHBHWXAJIDNX-XMMPIXPASA-N 2 2 454.575 1.378 20 0 JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@H]21 ZINC001165026938 721803163 /nfs/dbraw/zinc/80/31/63/721803163.db2.gz SPHDFQTYPWGVGN-MDNUFGMLSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@H]21 ZINC001165026938 721803165 /nfs/dbraw/zinc/80/31/65/721803165.db2.gz SPHDFQTYPWGVGN-MDNUFGMLSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026938 721803168 /nfs/dbraw/zinc/80/31/68/721803168.db2.gz SPHDFQTYPWGVGN-MDNUFGMLSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]21 ZINC001165026938 721803169 /nfs/dbraw/zinc/80/31/69/721803169.db2.gz SPHDFQTYPWGVGN-MDNUFGMLSA-N 2 2 494.644 1.677 20 0 JDADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(S(C)(=O)=O)nc5c4CC[NH2+]CC5)CC3)C2)cc1 ZINC001164939117 721920501 /nfs/dbraw/zinc/92/05/01/721920501.db2.gz 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/nfs/dbraw/zinc/77/53/49/1069775349.db2.gz JPXMNQPUFZCCQO-UHFFFAOYSA-N 2 2 480.621 1.178 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501906426 1069783616 /nfs/dbraw/zinc/78/36/16/1069783616.db2.gz CZOKRHAFVZFYAG-SFHVURJKSA-N 2 2 457.579 1.224 20 0 JDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393849 1069818372 /nfs/dbraw/zinc/81/83/72/1069818372.db2.gz LKKKMCFPANQJLH-DEOSSOPVSA-N 2 2 458.651 1.030 20 0 JDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393849 1069818376 /nfs/dbraw/zinc/81/83/76/1069818376.db2.gz LKKKMCFPANQJLH-DEOSSOPVSA-N 2 2 458.651 1.030 20 0 JDADLP CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393849 1069818379 /nfs/dbraw/zinc/81/83/79/1069818379.db2.gz LKKKMCFPANQJLH-DEOSSOPVSA-N 2 2 458.651 1.030 20 0 JDADLP CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393849 1069818381 /nfs/dbraw/zinc/81/83/81/1069818381.db2.gz LKKKMCFPANQJLH-DEOSSOPVSA-N 2 2 458.651 1.030 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001477413428 1069821203 /nfs/dbraw/zinc/82/12/03/1069821203.db2.gz UOGOCAWNNWDMNV-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001477413428 1069821207 /nfs/dbraw/zinc/82/12/07/1069821207.db2.gz UOGOCAWNNWDMNV-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477628470 1069839704 /nfs/dbraw/zinc/83/97/04/1069839704.db2.gz FJCCFRBPXROWDZ-XZOQPEGZSA-N 2 2 457.619 1.905 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477628470 1069839707 /nfs/dbraw/zinc/83/97/07/1069839707.db2.gz FJCCFRBPXROWDZ-XZOQPEGZSA-N 2 2 457.619 1.905 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001477773972 1069856075 /nfs/dbraw/zinc/85/60/75/1069856075.db2.gz NEWZMVFGDNMNFB-UHFFFAOYSA-N 3 2 458.651 1.680 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001477773972 1069856080 /nfs/dbraw/zinc/85/60/80/1069856080.db2.gz NEWZMVFGDNMNFB-UHFFFAOYSA-N 3 2 458.651 1.680 20 0 JDADLP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844527 1069867731 /nfs/dbraw/zinc/86/77/31/1069867731.db2.gz VOBRYLXRTHHOKF-DEOSSOPVSA-N 2 2 452.640 1.715 20 0 JDADLP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844527 1069867733 /nfs/dbraw/zinc/86/77/33/1069867733.db2.gz VOBRYLXRTHHOKF-DEOSSOPVSA-N 2 2 452.640 1.715 20 0 JDADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844527 1069867735 /nfs/dbraw/zinc/86/77/35/1069867735.db2.gz VOBRYLXRTHHOKF-DEOSSOPVSA-N 2 2 452.640 1.715 20 0 JDADLP C[NH+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844527 1069867737 /nfs/dbraw/zinc/86/77/37/1069867737.db2.gz VOBRYLXRTHHOKF-DEOSSOPVSA-N 2 2 452.640 1.715 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928391 1069878435 /nfs/dbraw/zinc/87/84/35/1069878435.db2.gz VOPIYLKGVOEJIQ-IRLDBZIGSA-N 2 2 450.027 1.869 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)C2)CC1 ZINC001477928391 1069878437 /nfs/dbraw/zinc/87/84/37/1069878437.db2.gz VOPIYLKGVOEJIQ-IRLDBZIGSA-N 2 2 450.027 1.869 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC001502244854 1069918094 /nfs/dbraw/zinc/91/80/94/1069918094.db2.gz LXZRSHAKRJPHAQ-IXDOHACOSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC001502244854 1069918127 /nfs/dbraw/zinc/91/81/27/1069918127.db2.gz LXZRSHAKRJPHAQ-IXDOHACOSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502257247 1069950843 /nfs/dbraw/zinc/95/08/43/1069950843.db2.gz IHMPCLBKEKPWBZ-LXGFNABISA-N 2 2 470.709 1.536 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502257247 1069950868 /nfs/dbraw/zinc/95/08/68/1069950868.db2.gz IHMPCLBKEKPWBZ-LXGFNABISA-N 2 2 470.709 1.536 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502257246 1069951150 /nfs/dbraw/zinc/95/11/50/1069951150.db2.gz IHMPCLBKEKPWBZ-IIMDRIAPSA-N 2 2 470.709 1.536 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502257246 1069951160 /nfs/dbraw/zinc/95/11/60/1069951160.db2.gz IHMPCLBKEKPWBZ-IIMDRIAPSA-N 2 2 470.709 1.536 20 0 JDADLP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC001478354694 1069974642 /nfs/dbraw/zinc/97/46/42/1069974642.db2.gz GAKKYRWCPFGZLA-FQEVSTJZSA-N 2 2 452.644 1.349 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001502275102 1070000575 /nfs/dbraw/zinc/00/05/75/1070000575.db2.gz WLFJFGYMVBTYAM-FQEVSTJZSA-N 2 2 454.623 1.672 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001502275102 1070000592 /nfs/dbraw/zinc/00/05/92/1070000592.db2.gz WLFJFGYMVBTYAM-FQEVSTJZSA-N 2 2 454.623 1.672 20 0 JDADLP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001478640486 1070034800 /nfs/dbraw/zinc/03/48/00/1070034800.db2.gz BJXGJCNQVBTNDG-GGAORHGYSA-N 2 2 458.651 1.291 20 0 JDADLP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001478640486 1070034815 /nfs/dbraw/zinc/03/48/15/1070034815.db2.gz BJXGJCNQVBTNDG-GGAORHGYSA-N 2 2 458.651 1.291 20 0 JDADLP CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502301009 1070045280 /nfs/dbraw/zinc/04/52/80/1070045280.db2.gz UJFCZBFOEREZBY-XUZZJYLKSA-N 2 2 464.655 1.962 20 0 JDADLP CC[N@H+]1CCCC[C@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502301009 1070045300 /nfs/dbraw/zinc/04/53/00/1070045300.db2.gz UJFCZBFOEREZBY-XUZZJYLKSA-N 2 2 464.655 1.962 20 0 JDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC3CC[NH+](CCN(C)C)CC3)CC2)CC1 ZINC001502308605 1070063231 /nfs/dbraw/zinc/06/32/31/1070063231.db2.gz BBFFTWSCZIOXDT-UHFFFAOYSA-N 2 2 488.725 1.631 20 0 JDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)CC1 ZINC001502308605 1070063247 /nfs/dbraw/zinc/06/32/47/1070063247.db2.gz BBFFTWSCZIOXDT-UHFFFAOYSA-N 2 2 488.725 1.631 20 0 JDADLP CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC001479005784 1070079407 /nfs/dbraw/zinc/07/94/07/1070079407.db2.gz WPFDNVHXEBTOCF-UXHICEINSA-N 2 2 451.612 1.576 20 0 JDADLP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502311979 1070081995 /nfs/dbraw/zinc/08/19/95/1070081995.db2.gz CDPFTZMJOXSODO-FDFHNCONSA-N 2 2 470.666 1.912 20 0 JDADLP CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502311979 1070082014 /nfs/dbraw/zinc/08/20/14/1070082014.db2.gz CDPFTZMJOXSODO-FDFHNCONSA-N 2 2 470.666 1.912 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001502314193 1070092755 /nfs/dbraw/zinc/09/27/55/1070092755.db2.gz QWVVMMKNDTVVKQ-WMTXJRDZSA-N 2 2 488.725 1.491 20 0 JDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177977 1070099973 /nfs/dbraw/zinc/09/99/73/1070099973.db2.gz NSXRWIFIQDPVAH-GGAORHGYSA-N 2 2 459.635 1.880 20 0 JDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177977 1070099991 /nfs/dbraw/zinc/09/99/91/1070099991.db2.gz NSXRWIFIQDPVAH-GGAORHGYSA-N 2 2 459.635 1.880 20 0 JDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177975 1070100303 /nfs/dbraw/zinc/10/03/03/1070100303.db2.gz NSXRWIFIQDPVAH-FYYLOGMGSA-N 2 2 459.635 1.880 20 0 JDADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177975 1070100321 /nfs/dbraw/zinc/10/03/21/1070100321.db2.gz NSXRWIFIQDPVAH-FYYLOGMGSA-N 2 2 459.635 1.880 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001502318604 1070130826 /nfs/dbraw/zinc/13/08/26/1070130826.db2.gz CWNXRSVLEOKBCS-HYBUGGRVSA-N 2 2 464.655 1.960 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001502318604 1070130846 /nfs/dbraw/zinc/13/08/46/1070130846.db2.gz CWNXRSVLEOKBCS-HYBUGGRVSA-N 2 2 464.655 1.960 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502328672 1070161395 /nfs/dbraw/zinc/16/13/95/1070161395.db2.gz LBPWCUPIWHQYRK-LJQANCHMSA-N 2 2 457.598 1.703 20 0 JDADLP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502328672 1070161406 /nfs/dbraw/zinc/16/14/06/1070161406.db2.gz LBPWCUPIWHQYRK-LJQANCHMSA-N 2 2 457.598 1.703 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161735 /nfs/dbraw/zinc/16/17/35/1070161735.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 2 457.671 1.696 20 0 JDADLP CC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161760 /nfs/dbraw/zinc/16/17/60/1070161760.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 2 457.671 1.696 20 0 JDADLP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161777 /nfs/dbraw/zinc/16/17/77/1070161777.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 2 457.671 1.696 20 0 JDADLP CC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCN(C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161798 /nfs/dbraw/zinc/16/17/98/1070161798.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 2 457.671 1.696 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC001502331983 1070167373 /nfs/dbraw/zinc/16/73/73/1070167373.db2.gz AVNKPZCBLDZHBC-OAQYLSRUSA-N 2 2 474.698 1.755 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001502332507 1070171767 /nfs/dbraw/zinc/17/17/67/1070171767.db2.gz MBRWHHQFUYTPKF-OAQYLSRUSA-N 2 2 460.671 1.509 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332264 1070169847 /nfs/dbraw/zinc/16/98/47/1070169847.db2.gz HATGOYLCOKWXRT-LEWJYISDSA-N 2 2 460.671 1.364 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c(C)nnc2N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)CC1 ZINC001502337462 1070205356 /nfs/dbraw/zinc/20/53/56/1070205356.db2.gz IGFSQALGFYGDGI-LJQANCHMSA-N 2 2 457.671 1.533 20 0 JDADLP Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[NH+]3CCC(C)CC3)CC2)on1 ZINC001493152752 1070218070 /nfs/dbraw/zinc/21/80/70/1070218070.db2.gz DSYCQILIQCTKMH-LJQANCHMSA-N 2 2 494.666 1.239 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343768 1070244546 /nfs/dbraw/zinc/24/45/46/1070244546.db2.gz UGLNGOVHXDGJMX-BHDDXSALSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343768 1070244582 /nfs/dbraw/zinc/24/45/82/1070244582.db2.gz UGLNGOVHXDGJMX-BHDDXSALSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502347170 1070262372 /nfs/dbraw/zinc/26/23/72/1070262372.db2.gz VSVXIMVACIFDIH-UHFFFAOYSA-N 2 2 460.671 1.462 20 0 JDADLP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001502349242 1070265204 /nfs/dbraw/zinc/26/52/04/1070265204.db2.gz QXXFHZSUVPVRRF-ISKFKSNPSA-N 2 2 488.725 1.808 20 0 JDADLP CCN1CC[NH+](CCCn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001502356330 1070289970 /nfs/dbraw/zinc/28/99/70/1070289970.db2.gz MONAOKWHLSOKCB-UHFFFAOYSA-N 2 2 456.639 1.445 20 0 JDADLP CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CC[NH+](CCOC)CC2)CC1 ZINC001502356330 1070290000 /nfs/dbraw/zinc/29/00/00/1070290000.db2.gz MONAOKWHLSOKCB-UHFFFAOYSA-N 2 2 456.639 1.445 20 0 JDADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493691852 1070335985 /nfs/dbraw/zinc/33/59/85/1070335985.db2.gz MXZJVSPDDWSTIU-AQNXPRMDSA-N 2 2 490.678 1.730 20 0 JDADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493691852 1070336002 /nfs/dbraw/zinc/33/60/02/1070336002.db2.gz MXZJVSPDDWSTIU-AQNXPRMDSA-N 2 2 490.678 1.730 20 0 JDADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493691850 1070336582 /nfs/dbraw/zinc/33/65/82/1070336582.db2.gz MXZJVSPDDWSTIU-AABGKKOBSA-N 2 2 490.678 1.730 20 0 JDADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493691850 1070336601 /nfs/dbraw/zinc/33/66/01/1070336601.db2.gz MXZJVSPDDWSTIU-AABGKKOBSA-N 2 2 490.678 1.730 20 0 JDADLP CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001493807663 1070353652 /nfs/dbraw/zinc/35/36/52/1070353652.db2.gz BUCKLDRGIPKQCY-URXFXBBRSA-N 2 2 464.655 1.819 20 0 JDADLP CC(C)O[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001493807663 1070353665 /nfs/dbraw/zinc/35/36/65/1070353665.db2.gz BUCKLDRGIPKQCY-URXFXBBRSA-N 2 2 464.655 1.819 20 0 JDADLP C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093965 1070390231 /nfs/dbraw/zinc/39/02/31/1070390231.db2.gz DKLBKICXHJMBBN-HSALFYBXSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093965 1070390248 /nfs/dbraw/zinc/39/02/48/1070390248.db2.gz DKLBKICXHJMBBN-HSALFYBXSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093965 1070390258 /nfs/dbraw/zinc/39/02/58/1070390258.db2.gz DKLBKICXHJMBBN-HSALFYBXSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001494093965 1070390271 /nfs/dbraw/zinc/39/02/71/1070390271.db2.gz DKLBKICXHJMBBN-HSALFYBXSA-N 2 2 491.681 1.664 20 0 JDADLP COc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1 ZINC001504201733 1070882251 /nfs/dbraw/zinc/88/22/51/1070882251.db2.gz VMHBRMJIZTYBAF-LJQANCHMSA-N 2 2 455.607 1.648 20 0 JDADLP CCOCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060907 1071016489 /nfs/dbraw/zinc/01/64/89/1071016489.db2.gz LAXKFJPLAWJZQQ-FCHUYYIVSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060907 1071016509 /nfs/dbraw/zinc/01/65/09/1071016509.db2.gz LAXKFJPLAWJZQQ-FCHUYYIVSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060910 1071016895 /nfs/dbraw/zinc/01/68/95/1071016895.db2.gz LAXKFJPLAWJZQQ-YADHBBJMSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060910 1071016916 /nfs/dbraw/zinc/01/69/16/1071016916.db2.gz LAXKFJPLAWJZQQ-YADHBBJMSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503084530 1071032442 /nfs/dbraw/zinc/03/24/42/1071032442.db2.gz SNUSNXXOEPJSCG-QHCPKHFHSA-N 2 2 475.682 1.927 20 0 JDADLP CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503093397 1071036695 /nfs/dbraw/zinc/03/66/95/1071036695.db2.gz GTGYRYCOBHWTIS-JOCHJYFZSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503093397 1071036706 /nfs/dbraw/zinc/03/67/06/1071036706.db2.gz GTGYRYCOBHWTIS-JOCHJYFZSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001503094581 1071037630 /nfs/dbraw/zinc/03/76/30/1071037630.db2.gz YIHVKPLUSKPXMF-UHFFFAOYSA-N 2 2 457.579 1.401 20 0 JDADLP CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001503094581 1071037644 /nfs/dbraw/zinc/03/76/44/1071037644.db2.gz YIHVKPLUSKPXMF-UHFFFAOYSA-N 2 2 457.579 1.401 20 0 JDADLP CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503108788 1071062244 /nfs/dbraw/zinc/06/22/44/1071062244.db2.gz CYVKDXNVINPEMT-UHFFFAOYSA-N 2 2 477.698 1.920 20 0 JDADLP CCOCc1nnc(N2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001503108788 1071062259 /nfs/dbraw/zinc/06/22/59/1071062259.db2.gz CYVKDXNVINPEMT-UHFFFAOYSA-N 2 2 477.698 1.920 20 0 JDADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001503108659 1071062310 /nfs/dbraw/zinc/06/23/10/1071062310.db2.gz XEHTUKMUPBXRFD-FQEVSTJZSA-N 2 2 477.654 1.058 20 0 JDADLP CCOCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503117474 1071082417 /nfs/dbraw/zinc/08/24/17/1071082417.db2.gz OINBRHOEGLOFNH-QHCPKHFHSA-N 2 2 479.025 1.736 20 0 JDADLP CCOCc1nnc(N2CC[NH+](CCOc3ccccc3Cl)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503117474 1071082432 /nfs/dbraw/zinc/08/24/32/1071082432.db2.gz OINBRHOEGLOFNH-QHCPKHFHSA-N 2 2 479.025 1.736 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503215760 1071164730 /nfs/dbraw/zinc/16/47/30/1071164730.db2.gz JEIUZQCGCYAGTI-OYRHEFFESA-N 2 2 477.654 1.172 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503215760 1071164744 /nfs/dbraw/zinc/16/47/44/1071164744.db2.gz JEIUZQCGCYAGTI-OYRHEFFESA-N 2 2 477.654 1.172 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001503218059 1071168955 /nfs/dbraw/zinc/16/89/55/1071168955.db2.gz XFLREHOJVVJPJX-QGZVFWFLSA-N 2 2 496.454 1.915 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001503218059 1071168964 /nfs/dbraw/zinc/16/89/64/1071168964.db2.gz XFLREHOJVVJPJX-QGZVFWFLSA-N 2 2 496.454 1.915 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001503218058 1071169583 /nfs/dbraw/zinc/16/95/83/1071169583.db2.gz XFLREHOJVVJPJX-KRWDZBQOSA-N 2 2 496.454 1.915 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001503218058 1071169611 /nfs/dbraw/zinc/16/96/11/1071169611.db2.gz XFLREHOJVVJPJX-KRWDZBQOSA-N 2 2 496.454 1.915 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503219797 1071173187 /nfs/dbraw/zinc/17/31/87/1071173187.db2.gz QFAAMRJPUOGPRZ-LEWJYISDSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503219797 1071173196 /nfs/dbraw/zinc/17/31/96/1071173196.db2.gz QFAAMRJPUOGPRZ-LEWJYISDSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503219797 1071173207 /nfs/dbraw/zinc/17/32/07/1071173207.db2.gz QFAAMRJPUOGPRZ-LEWJYISDSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503219797 1071173220 /nfs/dbraw/zinc/17/32/20/1071173220.db2.gz QFAAMRJPUOGPRZ-LEWJYISDSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001503222678 1071184090 /nfs/dbraw/zinc/18/40/90/1071184090.db2.gz IGFWKHDJWXUXAM-FCHUYYIVSA-N 2 2 463.671 1.357 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503224467 1071191818 /nfs/dbraw/zinc/19/18/18/1071191818.db2.gz BVRCJFFUUVXUTB-PWRODBHTSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503224467 1071191830 /nfs/dbraw/zinc/19/18/30/1071191830.db2.gz BVRCJFFUUVXUTB-PWRODBHTSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503224467 1071191851 /nfs/dbraw/zinc/19/18/51/1071191851.db2.gz BVRCJFFUUVXUTB-PWRODBHTSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1CC ZINC001503224467 1071191863 /nfs/dbraw/zinc/19/18/63/1071191863.db2.gz BVRCJFFUUVXUTB-PWRODBHTSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503224465 1071192228 /nfs/dbraw/zinc/19/22/28/1071192228.db2.gz BVRCJFFUUVXUTB-NJDAHSKKSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503224465 1071192252 /nfs/dbraw/zinc/19/22/52/1071192252.db2.gz BVRCJFFUUVXUTB-NJDAHSKKSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503224465 1071192209 /nfs/dbraw/zinc/19/22/09/1071192209.db2.gz BVRCJFFUUVXUTB-NJDAHSKKSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503224465 1071192221 /nfs/dbraw/zinc/19/22/21/1071192221.db2.gz BVRCJFFUUVXUTB-NJDAHSKKSA-N 2 2 450.628 1.787 20 0 JDADLP COC1CC[NH+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001504491843 1071268263 /nfs/dbraw/zinc/26/82/63/1071268263.db2.gz LYECFWLORYVRAO-UHFFFAOYSA-N 2 2 471.650 1.922 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C[NH+](C)C)c1 ZINC001503398382 1071657511 /nfs/dbraw/zinc/65/75/11/1071657511.db2.gz GNDNMLXMFPOYGZ-UHFFFAOYSA-N 2 2 478.601 1.804 20 0 JDADLP COCC[N@H+](C)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504855069 1071765387 /nfs/dbraw/zinc/76/53/87/1071765387.db2.gz MGYMJXDNPXSCNI-NRFANRHFSA-N 2 2 469.634 1.656 20 0 JDADLP COCC[N@@H+](C)CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001504855069 1071765397 /nfs/dbraw/zinc/76/53/97/1071765397.db2.gz MGYMJXDNPXSCNI-NRFANRHFSA-N 2 2 469.634 1.656 20 0 JDADLP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001504857977 1071779939 /nfs/dbraw/zinc/77/99/39/1071779939.db2.gz SMNMECGFPBSNTJ-RTBURBONSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC001504857977 1071779949 /nfs/dbraw/zinc/77/99/49/1071779949.db2.gz SMNMECGFPBSNTJ-RTBURBONSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001504857977 1071779973 /nfs/dbraw/zinc/77/99/73/1071779973.db2.gz SMNMECGFPBSNTJ-RTBURBONSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[NH+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001504857977 1071779998 /nfs/dbraw/zinc/77/99/98/1071779998.db2.gz SMNMECGFPBSNTJ-RTBURBONSA-N 2 2 468.668 1.069 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001504904754 1071844872 /nfs/dbraw/zinc/84/48/72/1071844872.db2.gz QEYHFDTZEOSLBK-MJGOQNOKSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001504904754 1071844874 /nfs/dbraw/zinc/84/48/74/1071844874.db2.gz QEYHFDTZEOSLBK-MJGOQNOKSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001504904751 1071844936 /nfs/dbraw/zinc/84/49/36/1071844936.db2.gz QEYHFDTZEOSLBK-HKUYNNGSSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001504904751 1071844941 /nfs/dbraw/zinc/84/49/41/1071844941.db2.gz QEYHFDTZEOSLBK-HKUYNNGSSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001504911521 1071867785 /nfs/dbraw/zinc/86/77/85/1071867785.db2.gz VNBIBLCMXLKFEM-AUSIDOKSSA-N 2 2 461.611 1.681 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@H]1C ZINC001504911521 1071867788 /nfs/dbraw/zinc/86/77/88/1071867788.db2.gz VNBIBLCMXLKFEM-AUSIDOKSSA-N 2 2 461.611 1.681 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504916236 1071879983 /nfs/dbraw/zinc/87/99/83/1071879983.db2.gz DNYJAGRFZSKUGZ-HXUWFJFHSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504916236 1071879989 /nfs/dbraw/zinc/87/99/89/1071879989.db2.gz DNYJAGRFZSKUGZ-HXUWFJFHSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504916236 1071879993 /nfs/dbraw/zinc/87/99/93/1071879993.db2.gz DNYJAGRFZSKUGZ-HXUWFJFHSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1C ZINC001504916236 1071879998 /nfs/dbraw/zinc/87/99/98/1071879998.db2.gz DNYJAGRFZSKUGZ-HXUWFJFHSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919084 1071888675 /nfs/dbraw/zinc/88/86/75/1071888675.db2.gz YAHVCODKXRDSHC-VQTJNVASSA-N 2 2 476.025 1.954 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC[NH+]1CCCC1 ZINC001503619207 1071908375 /nfs/dbraw/zinc/90/83/75/1071908375.db2.gz NIUIDVDZHVIQLW-HXUWFJFHSA-N 2 2 493.653 1.451 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504925602 1071913980 /nfs/dbraw/zinc/91/39/80/1071913980.db2.gz FKQJFXAZBYTDTL-PCCBWWKXSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504925602 1071913994 /nfs/dbraw/zinc/91/39/94/1071913994.db2.gz FKQJFXAZBYTDTL-PCCBWWKXSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504925606 1071913829 /nfs/dbraw/zinc/91/38/29/1071913829.db2.gz FKQJFXAZBYTDTL-QHAWAJNXSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504925606 1071913842 /nfs/dbraw/zinc/91/38/42/1071913842.db2.gz FKQJFXAZBYTDTL-QHAWAJNXSA-N 2 2 450.628 1.643 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001504926432 1071918336 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/nfs/dbraw/zinc/92/26/57/1071922657.db2.gz XLTBOEBJZDYSMJ-OALUTQOASA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504927492 1071922668 /nfs/dbraw/zinc/92/26/68/1071922668.db2.gz XLTBOEBJZDYSMJ-OALUTQOASA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504927492 1071922682 /nfs/dbraw/zinc/92/26/82/1071922682.db2.gz XLTBOEBJZDYSMJ-OALUTQOASA-N 2 2 491.662 1.147 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504927495 1071923481 /nfs/dbraw/zinc/92/34/81/1071923481.db2.gz XLTBOEBJZDYSMJ-RBUKOAKNSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504927495 1071923490 /nfs/dbraw/zinc/92/34/90/1071923490.db2.gz XLTBOEBJZDYSMJ-RBUKOAKNSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504927495 1071923502 /nfs/dbraw/zinc/92/35/02/1071923502.db2.gz XLTBOEBJZDYSMJ-RBUKOAKNSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504927495 1071923517 /nfs/dbraw/zinc/92/35/17/1071923517.db2.gz XLTBOEBJZDYSMJ-RBUKOAKNSA-N 2 2 491.662 1.147 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001503623352 1071926906 /nfs/dbraw/zinc/92/69/06/1071926906.db2.gz TVAQJVDNAVJYSJ-HXUWFJFHSA-N 2 2 450.628 1.441 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001503623352 1071926912 /nfs/dbraw/zinc/92/69/12/1071926912.db2.gz TVAQJVDNAVJYSJ-HXUWFJFHSA-N 2 2 450.628 1.441 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504960914 1072005672 /nfs/dbraw/zinc/00/56/72/1072005672.db2.gz BMMXZNSAFRPUIV-NJDAHSKKSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504960914 1072005685 /nfs/dbraw/zinc/00/56/85/1072005685.db2.gz BMMXZNSAFRPUIV-NJDAHSKKSA-N 2 2 450.628 1.787 20 0 JDADLP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505082132 1072212571 /nfs/dbraw/zinc/21/25/71/1072212571.db2.gz GARQRXCAXOLJGD-SFTDATJTSA-N 2 2 477.654 1.087 20 0 JDADLP CN(C(=O)COc1cccc2c1OC(C)(C)C2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843060 1067672619 /nfs/dbraw/zinc/67/26/19/1067672619.db2.gz FPDARWIZBKRHRG-UHFFFAOYSA-N 2 2 458.603 1.476 20 0 JDADLP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464845259 1067674196 /nfs/dbraw/zinc/67/41/96/1067674196.db2.gz PNIJATIRDNZTPI-WOJBJXKFSA-N 2 2 479.666 1.576 20 0 JDADLP C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001464847415 1067675331 /nfs/dbraw/zinc/67/53/31/1067675331.db2.gz WNZNMADSBWZIIX-AVRDEDQJSA-N 2 2 455.603 1.592 20 0 JDADLP CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001464868214 1067678502 /nfs/dbraw/zinc/67/85/02/1067678502.db2.gz FOHKVKNYSPKZOK-UHFFFAOYSA-N 2 2 454.637 1.824 20 0 JDADLP CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001464868214 1067678507 /nfs/dbraw/zinc/67/85/07/1067678507.db2.gz FOHKVKNYSPKZOK-UHFFFAOYSA-N 2 2 454.637 1.824 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)N(C)OC)cc3)CC2)CC1 ZINC001464964698 1067715950 /nfs/dbraw/zinc/71/59/50/1067715950.db2.gz GRULFZLCYPKKHL-UHFFFAOYSA-N 2 2 453.609 1.892 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(S(=O)(=O)N(C)OC)cc3)CC2)CC1 ZINC001464964698 1067715958 /nfs/dbraw/zinc/71/59/58/1067715958.db2.gz GRULFZLCYPKKHL-UHFFFAOYSA-N 2 2 453.609 1.892 20 0 JDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001465006011 1067727162 /nfs/dbraw/zinc/72/71/62/1067727162.db2.gz PRYXGWSRPJNCGN-OAQYLSRUSA-N 2 2 451.571 1.963 20 0 JDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC001465006011 1067727169 /nfs/dbraw/zinc/72/71/69/1067727169.db2.gz PRYXGWSRPJNCGN-OAQYLSRUSA-N 2 2 451.571 1.963 20 0 JDADLP CN(CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001465021600 1067729368 /nfs/dbraw/zinc/72/93/68/1067729368.db2.gz OTYKTENMSBINOM-FQEVSTJZSA-N 2 2 454.612 1.853 20 0 JDADLP CN(CCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001465021600 1067729391 /nfs/dbraw/zinc/72/93/91/1067729391.db2.gz OTYKTENMSBINOM-FQEVSTJZSA-N 2 2 454.612 1.853 20 0 JDADLP CC(C)[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001465350960 1067785914 /nfs/dbraw/zinc/78/59/14/1067785914.db2.gz WSTUUPOXUWZAMZ-VWPQPMDRSA-N 2 2 452.640 1.197 20 0 JDADLP CC(C)[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001465350960 1067785928 /nfs/dbraw/zinc/78/59/28/1067785928.db2.gz WSTUUPOXUWZAMZ-VWPQPMDRSA-N 2 2 452.640 1.197 20 0 JDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC001465445872 1067801396 /nfs/dbraw/zinc/80/13/96/1067801396.db2.gz STZXRZLFDJGGPG-UHFFFAOYSA-N 2 2 454.662 1.908 20 0 JDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC001465804524 1067832099 /nfs/dbraw/zinc/83/20/99/1067832099.db2.gz PHXBOXWCQMGHJL-OAQYLSRUSA-N 2 2 458.651 1.788 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC001465804524 1067832101 /nfs/dbraw/zinc/83/21/01/1067832101.db2.gz PHXBOXWCQMGHJL-OAQYLSRUSA-N 2 2 458.651 1.788 20 0 JDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266767 1067873641 /nfs/dbraw/zinc/87/36/41/1067873641.db2.gz GLLCYCXXTPIEIA-SFTDATJTSA-N 2 2 458.603 1.551 20 0 JDADLP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266767 1067873642 /nfs/dbraw/zinc/87/36/42/1067873642.db2.gz GLLCYCXXTPIEIA-SFTDATJTSA-N 2 2 458.603 1.551 20 0 JDADLP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266766 1067873691 /nfs/dbraw/zinc/87/36/91/1067873691.db2.gz GLLCYCXXTPIEIA-RTWAWAEBSA-N 2 2 458.603 1.551 20 0 JDADLP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266766 1067873693 /nfs/dbraw/zinc/87/36/93/1067873693.db2.gz GLLCYCXXTPIEIA-RTWAWAEBSA-N 2 2 458.603 1.551 20 0 JDADLP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266765 1067873727 /nfs/dbraw/zinc/87/37/27/1067873727.db2.gz GLLCYCXXTPIEIA-NHCUHLMSSA-N 2 2 458.603 1.551 20 0 JDADLP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CCOc3cccc(OC)c3)CC2)CC1=O ZINC001466266765 1067873730 /nfs/dbraw/zinc/87/37/30/1067873730.db2.gz GLLCYCXXTPIEIA-NHCUHLMSSA-N 2 2 458.603 1.551 20 0 JDADLP C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001467580536 1068031390 /nfs/dbraw/zinc/03/13/90/1068031390.db2.gz VHVCHYPSCTZHIY-IBGZPJMESA-N 2 2 453.628 1.872 20 0 JDADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001467580536 1068031405 /nfs/dbraw/zinc/03/14/05/1068031405.db2.gz VHVCHYPSCTZHIY-IBGZPJMESA-N 2 2 453.628 1.872 20 0 JDADLP CC(C)[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC001467664028 1068048024 /nfs/dbraw/zinc/04/80/24/1068048024.db2.gz AXYPGKPEPRUBSI-OAQYLSRUSA-N 2 2 459.639 1.901 20 0 JDADLP CC(C)[C@@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+]1CCC(C)CC1 ZINC001467664028 1068048038 /nfs/dbraw/zinc/04/80/38/1068048038.db2.gz AXYPGKPEPRUBSI-OAQYLSRUSA-N 2 2 459.639 1.901 20 0 JDADLP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CC[N@H+](C)C1 ZINC001468285015 1068223324 /nfs/dbraw/zinc/22/33/24/1068223324.db2.gz IGTHERDDINPXGK-SFHVURJKSA-N 2 2 451.999 1.598 20 0 JDADLP COC(=O)[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)CC[N@@H+](C)C1 ZINC001468285015 1068223335 /nfs/dbraw/zinc/22/33/35/1068223335.db2.gz IGTHERDDINPXGK-SFHVURJKSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)CN(C(=O)OC(C)(C)C)CCO3)CC2)CC1 ZINC001468410894 1068272536 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CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270120 1069231134 /nfs/dbraw/zinc/23/11/34/1069231134.db2.gz XDDSKYFBELLGDZ-YADHBBJMSA-N 2 2 477.698 1.745 20 0 JDADLP CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC[NH+]1CCOC ZINC001500270120 1069231145 /nfs/dbraw/zinc/23/11/45/1069231145.db2.gz XDDSKYFBELLGDZ-YADHBBJMSA-N 2 2 477.698 1.745 20 0 JDADLP Cc1nc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)n1C ZINC001474892492 1069297389 /nfs/dbraw/zinc/29/73/89/1069297389.db2.gz CLWLXGZBJBTCSP-UHFFFAOYSA-N 2 2 457.398 1.377 20 0 JDADLP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001500728822 1069306191 /nfs/dbraw/zinc/30/61/91/1069306191.db2.gz ZHUULTMGPRSAJJ-QHCPKHFHSA-N 2 2 485.681 1.472 20 0 JDADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001500728822 1069306211 /nfs/dbraw/zinc/30/62/11/1069306211.db2.gz ZHUULTMGPRSAJJ-QHCPKHFHSA-N 2 2 485.681 1.472 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508273154 1073041616 /nfs/dbraw/zinc/04/16/16/1073041616.db2.gz OPORDPSFRJORJK-FUPPJEDESA-N 2 2 475.682 1.434 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001508273656 1073041688 /nfs/dbraw/zinc/04/16/88/1073041688.db2.gz MOHVMGUUZXLZFM-UHFFFAOYSA-N 2 2 488.725 1.735 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001508276289 1073048225 /nfs/dbraw/zinc/04/82/25/1073048225.db2.gz ZQAFCVCVFPYWDI-UHFFFAOYSA-N 2 2 471.654 1.082 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCC[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508277496 1073051365 /nfs/dbraw/zinc/05/13/65/1073051365.db2.gz XLUDTKURTFAHSL-IFMALSPDSA-N 2 2 461.655 1.188 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001508278258 1073053380 /nfs/dbraw/zinc/05/33/80/1073053380.db2.gz GOELAHQMSATZMN-OYRHEFFESA-N 2 2 469.634 1.655 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(-c3ccccc3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001508278258 1073053386 /nfs/dbraw/zinc/05/33/86/1073053386.db2.gz GOELAHQMSATZMN-OYRHEFFESA-N 2 2 469.634 1.655 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001508280105 1073059459 /nfs/dbraw/zinc/05/94/59/1073059459.db2.gz WBFWCLLHKQWAMA-UHFFFAOYSA-N 2 2 482.677 1.985 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001508280105 1073059468 /nfs/dbraw/zinc/05/94/68/1073059468.db2.gz WBFWCLLHKQWAMA-UHFFFAOYSA-N 2 2 482.677 1.985 20 0 JDADLP CC(C)(C)c1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001508531670 1073274275 /nfs/dbraw/zinc/27/42/75/1073274275.db2.gz JWOPQTWOUWFFFZ-UHFFFAOYSA-N 2 2 461.636 1.418 20 0 JDADLP CC(C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001508998826 1073469725 /nfs/dbraw/zinc/46/97/25/1073469725.db2.gz BBHJFMPNWVDPSO-HXUWFJFHSA-N 2 2 461.655 1.645 20 0 JDADLP CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001509108479 1073503808 /nfs/dbraw/zinc/50/38/08/1073503808.db2.gz BBIJCQKGTIWBTR-LEWJYISDSA-N 2 2 483.665 1.844 20 0 JDADLP CC(C)C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)[NH+](C)C ZINC001509113773 1073505308 /nfs/dbraw/zinc/50/53/08/1073505308.db2.gz OBCWMLZPQQWNHH-NQIIRXRSSA-N 2 2 471.654 1.444 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509430380 1073606573 /nfs/dbraw/zinc/60/65/73/1073606573.db2.gz GINXJIBPOBLUBT-LJQANCHMSA-N 2 2 475.663 1.768 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509430375 1073606762 /nfs/dbraw/zinc/60/67/62/1073606762.db2.gz GINXJIBPOBLUBT-IBGZPJMESA-N 2 2 475.663 1.768 20 0 JDADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001509566593 1073687409 /nfs/dbraw/zinc/68/74/09/1073687409.db2.gz HLBXGOBCEFEFAG-NRFANRHFSA-N 2 2 490.674 1.699 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001509639270 1073752470 /nfs/dbraw/zinc/75/24/70/1073752470.db2.gz RXTKRNVSEMKINY-LEWJYISDSA-N 2 2 461.655 1.838 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001509639272 1073752787 /nfs/dbraw/zinc/75/27/87/1073752787.db2.gz RXTKRNVSEMKINY-RTWAWAEBSA-N 2 2 461.655 1.838 20 0 JDADLP CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCNC(=O)C34C[NH2+]C4)c2c1C ZINC001164410424 718878900 /nfs/dbraw/zinc/87/89/00/718878900.db2.gz BEHHXEDCPCFAQH-UHFFFAOYSA-N 2 2 458.588 1.441 20 0 JDADLP O=C(c1cccnc1N1CCCO[C@]2(C[NH2+]CCOC2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424100 718915362 /nfs/dbraw/zinc/91/53/62/718915362.db2.gz LCYPSZCHEMMKDM-AREMUKBSSA-N 2 2 465.598 1.625 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@@H]3[NH2+]C[C@@H]31)nc2N1CCOCC1 ZINC001164447105 718999750 /nfs/dbraw/zinc/99/97/50/718999750.db2.gz AWOZQHSXEOCSDE-CBQOVEMMSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@@H]3[NH2+]C[C@@H]31)nc2N1CCOCC1 ZINC001164447105 718999753 /nfs/dbraw/zinc/99/97/53/718999753.db2.gz AWOZQHSXEOCSDE-CBQOVEMMSA-N 2 2 499.685 1.375 20 0 JDADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164615179 719016292 /nfs/dbraw/zinc/01/62/92/719016292.db2.gz HGMYXDKZDVCEDC-ACIOBRDBSA-N 2 2 463.582 1.769 20 0 JDADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164629126 719059746 /nfs/dbraw/zinc/05/97/46/719059746.db2.gz VUBDBTZHHYIPJZ-FGZHOGPDSA-N 2 2 465.602 1.646 20 0 JDADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164629126 719059749 /nfs/dbraw/zinc/05/97/49/719059749.db2.gz VUBDBTZHHYIPJZ-FGZHOGPDSA-N 2 2 465.602 1.646 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H](CF)[C@H](C5([NH3+])CC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624178 719121552 /nfs/dbraw/zinc/12/15/52/719121552.db2.gz UHKOBSASBDSAHY-PKOBYXMFSA-N 2 2 489.665 1.789 20 0 JDADLP C[C@@H]1CN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)[C@@H](C)C[N@@H+]1C ZINC001164633157 719228551 /nfs/dbraw/zinc/22/85/51/719228551.db2.gz DGXKKIGNZMZRKB-MSOLQXFVSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1CN(c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)[C@@H](C)C[N@H+]1C ZINC001164633157 719228554 /nfs/dbraw/zinc/22/85/54/719228554.db2.gz DGXKKIGNZMZRKB-MSOLQXFVSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1CN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@@H](C)C[N@@H+]1C ZINC001164633157 719228557 /nfs/dbraw/zinc/22/85/57/719228557.db2.gz DGXKKIGNZMZRKB-MSOLQXFVSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@@H]1CN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@@H](C)C[N@H+]1C ZINC001164633157 719228560 /nfs/dbraw/zinc/22/85/60/719228560.db2.gz DGXKKIGNZMZRKB-MSOLQXFVSA-N 2 2 459.664 1.804 20 0 JDADLP CCOC(=O)c1c[nH]c2cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)[nH+]cc21 ZINC001164708034 719922039 /nfs/dbraw/zinc/92/20/39/719922039.db2.gz AQTGHGPHXAZZGX-UHFFFAOYSA-N 2 2 451.531 1.423 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2=O)cs1 ZINC001164827156 720382719 /nfs/dbraw/zinc/38/27/19/720382719.db2.gz ZMTBADRHUNJHFI-UHFFFAOYSA-N 2 2 485.658 1.933 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC3)C2=O)cs1 ZINC001164827156 720382724 /nfs/dbraw/zinc/38/27/24/720382724.db2.gz ZMTBADRHUNJHFI-UHFFFAOYSA-N 2 2 485.658 1.933 20 0 JDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@H]2C1 ZINC001164850990 720846434 /nfs/dbraw/zinc/84/64/34/720846434.db2.gz GEMMRCSOIHCOTK-GHTZIAJQSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@H]2C1 ZINC001164850990 720846435 /nfs/dbraw/zinc/84/64/35/720846435.db2.gz GEMMRCSOIHCOTK-GHTZIAJQSA-N 2 2 471.583 1.842 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2 ZINC001164749769 720948431 /nfs/dbraw/zinc/94/84/31/720948431.db2.gz JJZRXQPRFIRXSI-UHFFFAOYSA-N 2 2 461.570 1.877 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2 ZINC001164749769 720948435 /nfs/dbraw/zinc/94/84/35/720948435.db2.gz JJZRXQPRFIRXSI-UHFFFAOYSA-N 2 2 461.570 1.877 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCN(c4ccccc4)CC3)[nH+]cn1)CC2 ZINC001164754439 720966669 /nfs/dbraw/zinc/96/66/69/720966669.db2.gz RFQBCGLDLUBNGR-UHFFFAOYSA-N 2 2 476.585 1.645 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCN(c4ccccc4)CC3)nc[nH+]1)CC2 ZINC001164754439 720966677 /nfs/dbraw/zinc/96/66/77/720966677.db2.gz RFQBCGLDLUBNGR-UHFFFAOYSA-N 2 2 476.585 1.645 20 0 JDADLP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164757698 721015303 /nfs/dbraw/zinc/01/53/03/721015303.db2.gz GFYRFKAGDOABOG-CEMLEFRQSA-N 2 2 450.587 1.871 20 0 JDADLP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164757699 721015574 /nfs/dbraw/zinc/01/55/74/721015574.db2.gz GFYRFKAGDOABOG-FCEUIQTBSA-N 2 2 450.587 1.871 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@H](C(=O)NCc5ccccn5)[C@@H]4C3)[nH+]2)CC1 ZINC001164762400 721021976 /nfs/dbraw/zinc/02/19/76/721021976.db2.gz VKRGUKOQHFDRTK-FSSWDIPSSA-N 2 2 450.587 1.776 20 0 JDADLP c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872079 721138807 /nfs/dbraw/zinc/13/88/07/721138807.db2.gz GKFAPKIOXXIAMH-NHCUHLMSSA-N 2 2 450.591 1.947 20 0 JDADLP c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872079 721138809 /nfs/dbraw/zinc/13/88/09/721138809.db2.gz GKFAPKIOXXIAMH-NHCUHLMSSA-N 2 2 450.591 1.947 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773553 721288048 /nfs/dbraw/zinc/28/80/48/721288048.db2.gz RPFWTRYBMYZBNK-NQIIRXRSSA-N 2 2 467.570 1.843 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773553 721288053 /nfs/dbraw/zinc/28/80/53/721288053.db2.gz RPFWTRYBMYZBNK-NQIIRXRSSA-N 2 2 467.570 1.843 20 0 JDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773562 721288274 /nfs/dbraw/zinc/28/82/74/721288274.db2.gz RPFWTRYBMYZBNK-WIYYLYMNSA-N 2 2 467.570 1.843 20 0 JDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773562 721288280 /nfs/dbraw/zinc/28/82/80/721288280.db2.gz RPFWTRYBMYZBNK-WIYYLYMNSA-N 2 2 467.570 1.843 20 0 JDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164782293 721370874 /nfs/dbraw/zinc/37/08/74/721370874.db2.gz MLGAZEIATXKEQU-DEOSSOPVSA-N 2 2 455.607 1.952 20 0 JDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164782293 721370876 /nfs/dbraw/zinc/37/08/76/721370876.db2.gz MLGAZEIATXKEQU-DEOSSOPVSA-N 2 2 455.607 1.952 20 0 JDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2[nH+]cnc4c2ccn4S(=O)(=O)c2ccccc2)CC3)CC1 ZINC001164794575 721511170 /nfs/dbraw/zinc/51/11/70/721511170.db2.gz SDFUVAOSICGQKJ-UHFFFAOYSA-N 2 2 492.609 1.632 20 0 JDADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@H](COCC(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164902632 721582029 /nfs/dbraw/zinc/58/20/29/721582029.db2.gz HDIXMGRVMPQSQO-FQEVSTJZSA-N 2 2 453.591 1.305 20 0 JDADLP Cc1cccc(CN2CCO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]3C2=O)n1 ZINC001164797992 721602795 /nfs/dbraw/zinc/60/27/95/721602795.db2.gz DUHYTURONHKVBG-FCHUYYIVSA-N 2 2 450.587 1.791 20 0 JDADLP Cc1cccc(CN2CCO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]3C2=O)n1 ZINC001164797995 721602798 /nfs/dbraw/zinc/60/27/98/721602798.db2.gz DUHYTURONHKVBG-YADHBBJMSA-N 2 2 450.587 1.791 20 0 JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@@H]21 ZINC001165026936 721803055 /nfs/dbraw/zinc/80/30/55/721803055.db2.gz SPHDFQTYPWGVGN-ACIOBRDBSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@@H]21 ZINC001165026936 721803056 /nfs/dbraw/zinc/80/30/56/721803056.db2.gz SPHDFQTYPWGVGN-ACIOBRDBSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026936 721803061 /nfs/dbraw/zinc/80/30/61/721803061.db2.gz SPHDFQTYPWGVGN-ACIOBRDBSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026936 721803063 /nfs/dbraw/zinc/80/30/63/721803063.db2.gz SPHDFQTYPWGVGN-ACIOBRDBSA-N 2 2 494.644 1.677 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC001165028579 721856264 /nfs/dbraw/zinc/85/62/64/721856264.db2.gz NRVOMFKUDSDOJI-NQIIRXRSSA-N 2 2 455.559 1.985 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCC[C@@H]([NH+](C)C)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165034336 721894911 /nfs/dbraw/zinc/89/49/11/721894911.db2.gz COCSSHISPVTSKH-GOSISDBHSA-N 2 2 459.664 1.806 20 0 JDADLP CCc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(N2CCOCC2)[nH+]1 ZINC001164945062 721976186 /nfs/dbraw/zinc/97/61/86/721976186.db2.gz BLDSFCHLOOLYTG-UHFFFAOYSA-N 2 2 450.587 1.847 20 0 JDADLP CCc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(N2CCOCC2)[nH+]1 ZINC001164945062 721976188 /nfs/dbraw/zinc/97/61/88/721976188.db2.gz BLDSFCHLOOLYTG-UHFFFAOYSA-N 2 2 450.587 1.847 20 0 JDADLP CCC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001500942879 1069336352 /nfs/dbraw/zinc/33/63/52/1069336352.db2.gz BEVVKUGRRDWNNB-RTBURBONSA-N 2 2 452.669 1.833 20 0 JDADLP CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001500942879 1069336365 /nfs/dbraw/zinc/33/63/65/1069336365.db2.gz BEVVKUGRRDWNNB-RTBURBONSA-N 2 2 452.669 1.833 20 0 JDADLP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001501040846 1069368861 /nfs/dbraw/zinc/36/88/61/1069368861.db2.gz QQQPOEZTWIYLDC-MOPGFXCFSA-N 2 2 494.666 1.381 20 0 JDADLP CCC[N@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001501040846 1069368867 /nfs/dbraw/zinc/36/88/67/1069368867.db2.gz QQQPOEZTWIYLDC-MOPGFXCFSA-N 2 2 494.666 1.381 20 0 JDADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156864 1069377359 /nfs/dbraw/zinc/37/73/59/1069377359.db2.gz OFPKWWFNEVHQMH-YADHBBJMSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156864 1069377366 /nfs/dbraw/zinc/37/73/66/1069377366.db2.gz OFPKWWFNEVHQMH-YADHBBJMSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156863 1069377615 /nfs/dbraw/zinc/37/76/15/1069377615.db2.gz OFPKWWFNEVHQMH-VXKWHMMOSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156863 1069377633 /nfs/dbraw/zinc/37/76/33/1069377633.db2.gz OFPKWWFNEVHQMH-VXKWHMMOSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156862 1069377812 /nfs/dbraw/zinc/37/78/12/1069377812.db2.gz OFPKWWFNEVHQMH-FGZHOGPDSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156862 1069377826 /nfs/dbraw/zinc/37/78/26/1069377826.db2.gz OFPKWWFNEVHQMH-FGZHOGPDSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001475156943 1069377945 /nfs/dbraw/zinc/37/79/45/1069377945.db2.gz OHTUURKGAVWRGG-VQTJNVASSA-N 2 2 450.605 1.975 20 0 JDADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001475156943 1069377953 /nfs/dbraw/zinc/37/79/53/1069377953.db2.gz OHTUURKGAVWRGG-VQTJNVASSA-N 2 2 450.605 1.975 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157535 1069378714 /nfs/dbraw/zinc/37/87/14/1069378714.db2.gz ZGFAKXIOHSZIIQ-WOJBJXKFSA-N 2 2 456.609 1.950 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157535 1069378726 /nfs/dbraw/zinc/37/87/26/1069378726.db2.gz ZGFAKXIOHSZIIQ-WOJBJXKFSA-N 2 2 456.609 1.950 20 0 JDADLP C[N@@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001475393192 1069458598 /nfs/dbraw/zinc/45/85/98/1069458598.db2.gz TYMBMICDIQYQRW-UHFFFAOYSA-N 2 2 456.612 1.850 20 0 JDADLP C[N@H+]1CCc2c(cccc2S(=O)(=O)NCc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC001475393192 1069458601 /nfs/dbraw/zinc/45/86/01/1069458601.db2.gz TYMBMICDIQYQRW-UHFFFAOYSA-N 2 2 456.612 1.850 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cnccn3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501775361 1069646096 /nfs/dbraw/zinc/64/60/96/1069646096.db2.gz SSSQGUPVNDDZJW-UHFFFAOYSA-N 2 2 479.589 1.568 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cnccn3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501775361 1069646127 /nfs/dbraw/zinc/64/61/27/1069646127.db2.gz SSSQGUPVNDDZJW-UHFFFAOYSA-N 2 2 479.589 1.568 20 0 JDADLP Cc1cc(NC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n(C2CC[NH+](C)CC2)n1 ZINC001476229882 1069653728 /nfs/dbraw/zinc/65/37/28/1069653728.db2.gz RRTFDOQKXMYOLB-UHFFFAOYSA-N 2 2 454.579 1.714 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001501783579 1069674973 /nfs/dbraw/zinc/67/49/73/1069674973.db2.gz NWUJPYPPCRTSDJ-QHCPKHFHSA-N 2 2 498.676 1.687 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501783728 1069675956 /nfs/dbraw/zinc/67/59/56/1069675956.db2.gz PFNBFGYPRQGEQE-XMMPIXPASA-N 2 2 486.690 1.768 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001501784047 1069679332 /nfs/dbraw/zinc/67/93/32/1069679332.db2.gz UNEUJXGFAVKOBG-UHFFFAOYSA-N 2 2 458.655 1.862 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001501799736 1069726231 /nfs/dbraw/zinc/72/62/31/1069726231.db2.gz XXLPLTBQJSYBDY-MOPGFXCFSA-N 2 2 456.639 1.803 20 0 JDADLP CCN(CC)c1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC001501835417 1069742545 /nfs/dbraw/zinc/74/25/45/1069742545.db2.gz XTVNJYBTSVRIEO-GOSISDBHSA-N 2 2 478.667 1.708 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001501901386 1069767113 /nfs/dbraw/zinc/76/71/13/1069767113.db2.gz NLUDFSQXIALOMT-HXUWFJFHSA-N 2 2 498.680 1.893 20 0 JDADLP CC[NH+](CC)C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001501938802 1069804519 /nfs/dbraw/zinc/80/45/19/1069804519.db2.gz YHXLTGRSZRWRIT-HSZRJFAPSA-N 2 2 468.650 1.596 20 0 JDADLP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001501941246 1069805048 /nfs/dbraw/zinc/80/50/48/1069805048.db2.gz GVTFBJRJWCZYKJ-UHFFFAOYSA-N 2 2 455.611 1.671 20 0 JDADLP CC[NH+](CC)CCCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001501954721 1069806625 /nfs/dbraw/zinc/80/66/25/1069806625.db2.gz IGDKALTXEQBVLN-RTWAWAEBSA-N 2 2 461.655 1.647 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001501982090 1069810913 /nfs/dbraw/zinc/81/09/13/1069810913.db2.gz ALTPQOBOHFXGFN-RTBURBONSA-N 2 2 452.669 1.975 20 0 JDADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC001477413747 1069821445 /nfs/dbraw/zinc/82/14/45/1069821445.db2.gz ZOFOOCKBBZGKFE-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC001477413747 1069821446 /nfs/dbraw/zinc/82/14/46/1069821446.db2.gz ZOFOOCKBBZGKFE-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477628469 1069839683 /nfs/dbraw/zinc/83/96/83/1069839683.db2.gz FJCCFRBPXROWDZ-PKTZIBPZSA-N 2 2 457.619 1.905 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477628469 1069839684 /nfs/dbraw/zinc/83/96/84/1069839684.db2.gz FJCCFRBPXROWDZ-PKTZIBPZSA-N 2 2 457.619 1.905 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4C)cc2)CC1 ZINC001477756091 1069854040 /nfs/dbraw/zinc/85/40/40/1069854040.db2.gz NGFBWNMNQLFQII-DNQXCXABSA-N 2 2 457.619 1.650 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)cc2)CC1 ZINC001477756091 1069854041 /nfs/dbraw/zinc/85/40/41/1069854041.db2.gz NGFBWNMNQLFQII-DNQXCXABSA-N 2 2 457.619 1.650 20 0 JDADLP CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001502199578 1069855123 /nfs/dbraw/zinc/85/51/23/1069855123.db2.gz OGZLTBZRBVDJCT-PMACEKPBSA-N 2 2 468.668 1.069 20 0 JDADLP CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC001502199578 1069855126 /nfs/dbraw/zinc/85/51/26/1069855126.db2.gz OGZLTBZRBVDJCT-PMACEKPBSA-N 2 2 468.668 1.069 20 0 JDADLP CC[N@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001502199581 1069855254 /nfs/dbraw/zinc/85/52/54/1069855254.db2.gz OGZLTBZRBVDJCT-WOJBJXKFSA-N 2 2 468.668 1.069 20 0 JDADLP CC[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001502199581 1069855255 /nfs/dbraw/zinc/85/52/55/1069855255.db2.gz OGZLTBZRBVDJCT-WOJBJXKFSA-N 2 2 468.668 1.069 20 0 JDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814432 1069863449 /nfs/dbraw/zinc/86/34/49/1069863449.db2.gz RQJXRDZKXDZISY-IBGZPJMESA-N 2 2 457.579 1.648 20 0 JDADLP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814432 1069863450 /nfs/dbraw/zinc/86/34/50/1069863450.db2.gz RQJXRDZKXDZISY-IBGZPJMESA-N 2 2 457.579 1.648 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050124 1069892466 /nfs/dbraw/zinc/89/24/66/1069892466.db2.gz DJHNOFOYNOUWJY-PCCBWWKXSA-N 2 2 459.639 1.812 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050124 1069892468 /nfs/dbraw/zinc/89/24/68/1069892468.db2.gz DJHNOFOYNOUWJY-PCCBWWKXSA-N 2 2 459.639 1.812 20 0 JDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)n1C ZINC001478097356 1069897192 /nfs/dbraw/zinc/89/71/92/1069897192.db2.gz XMARPSVHSSQJIP-UHFFFAOYSA-N 2 2 455.607 1.656 20 0 JDADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)n1C ZINC001478097356 1069897193 /nfs/dbraw/zinc/89/71/93/1069897193.db2.gz XMARPSVHSSQJIP-UHFFFAOYSA-N 2 2 455.607 1.656 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC001502244856 1069918452 /nfs/dbraw/zinc/91/84/52/1069918452.db2.gz LXZRSHAKRJPHAQ-YESZJQIVSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC001502244856 1069918485 /nfs/dbraw/zinc/91/84/85/1069918485.db2.gz LXZRSHAKRJPHAQ-YESZJQIVSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502258210 1069957511 /nfs/dbraw/zinc/95/75/11/1069957511.db2.gz VQZYBEOWAMKBTA-URVUXULASA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502258210 1069957536 /nfs/dbraw/zinc/95/75/36/1069957536.db2.gz VQZYBEOWAMKBTA-URVUXULASA-N 2 2 495.738 1.373 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001502275103 1070001133 /nfs/dbraw/zinc/00/11/33/1070001133.db2.gz WLFJFGYMVBTYAM-HXUWFJFHSA-N 2 2 454.623 1.672 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001502275103 1070001148 /nfs/dbraw/zinc/00/11/48/1070001148.db2.gz WLFJFGYMVBTYAM-HXUWFJFHSA-N 2 2 454.623 1.672 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CC2)CC1 ZINC001478500550 1070005229 /nfs/dbraw/zinc/00/52/29/1070005229.db2.gz UKEVCMRDOHOGTR-UHFFFAOYSA-N 2 2 457.619 1.861 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CC2)CC1 ZINC001478500550 1070005246 /nfs/dbraw/zinc/00/52/46/1070005246.db2.gz UKEVCMRDOHOGTR-UHFFFAOYSA-N 2 2 457.619 1.861 20 0 JDADLP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281698 1070015310 /nfs/dbraw/zinc/01/53/10/1070015310.db2.gz LQXNQHSWECXGAP-SJLPKXTDSA-N 2 2 496.707 1.460 20 0 JDADLP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281698 1070015332 /nfs/dbraw/zinc/01/53/32/1070015332.db2.gz LQXNQHSWECXGAP-SJLPKXTDSA-N 2 2 496.707 1.460 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502309548 1070066691 /nfs/dbraw/zinc/06/66/91/1070066691.db2.gz HNRIDRJDSXODHZ-NRFANRHFSA-N 2 2 462.687 1.418 20 0 JDADLP CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC001479005786 1070079299 /nfs/dbraw/zinc/07/92/99/1070079299.db2.gz WPFDNVHXEBTOCF-WOJBJXKFSA-N 2 2 451.612 1.576 20 0 JDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997712 1070077048 /nfs/dbraw/zinc/07/70/48/1070077048.db2.gz VKZGZWUELLYECE-LJQANCHMSA-N 2 2 453.628 1.822 20 0 JDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997712 1070077069 /nfs/dbraw/zinc/07/70/69/1070077069.db2.gz VKZGZWUELLYECE-LJQANCHMSA-N 2 2 453.628 1.822 20 0 JDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997711 1070077249 /nfs/dbraw/zinc/07/72/49/1070077249.db2.gz VKZGZWUELLYECE-IBGZPJMESA-N 2 2 453.628 1.822 20 0 JDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997711 1070077267 /nfs/dbraw/zinc/07/72/67/1070077267.db2.gz VKZGZWUELLYECE-IBGZPJMESA-N 2 2 453.628 1.822 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502313654 1070089772 /nfs/dbraw/zinc/08/97/72/1070089772.db2.gz IOPFFAPCDLEPNQ-OAQYLSRUSA-N 2 2 474.698 1.562 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001502314192 1070092113 /nfs/dbraw/zinc/09/21/13/1070092113.db2.gz QWVVMMKNDTVVKQ-CQOQZXRMSA-N 2 2 488.725 1.491 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502314194 1070092451 /nfs/dbraw/zinc/09/24/51/1070092451.db2.gz QWVVMMKNDTVVKQ-ZDXQCDESSA-N 2 2 488.725 1.491 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)CC1 ZINC001479151629 1070095178 /nfs/dbraw/zinc/09/51/78/1070095178.db2.gz GPOUISGJGWUEAH-UHFFFAOYSA-N 2 2 456.591 1.440 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)CC1 ZINC001479151629 1070095189 /nfs/dbraw/zinc/09/51/89/1070095189.db2.gz GPOUISGJGWUEAH-UHFFFAOYSA-N 2 2 456.591 1.440 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001502318605 1070130057 /nfs/dbraw/zinc/13/00/57/1070130057.db2.gz CWNXRSVLEOKBCS-RDPSFJRHSA-N 2 2 464.655 1.960 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC001502318605 1070130077 /nfs/dbraw/zinc/13/00/77/1070130077.db2.gz CWNXRSVLEOKBCS-RDPSFJRHSA-N 2 2 464.655 1.960 20 0 JDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001479464690 1070149650 /nfs/dbraw/zinc/14/96/50/1070149650.db2.gz GOOHZUATALBBPQ-CCDWMCETSA-N 2 2 452.599 1.989 20 0 JDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001479464690 1070149677 /nfs/dbraw/zinc/14/96/77/1070149677.db2.gz GOOHZUATALBBPQ-CCDWMCETSA-N 2 2 452.599 1.989 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001502332012 1070168196 /nfs/dbraw/zinc/16/81/96/1070168196.db2.gz BGZBUCWNVHMGFU-NRFANRHFSA-N 2 2 460.671 1.461 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001502332012 1070168199 /nfs/dbraw/zinc/16/81/99/1070168199.db2.gz BGZBUCWNVHMGFU-NRFANRHFSA-N 2 2 460.671 1.461 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343770 1070243461 /nfs/dbraw/zinc/24/34/61/1070243461.db2.gz UGLNGOVHXDGJMX-FKBYEOEOSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343770 1070243499 /nfs/dbraw/zinc/24/34/99/1070243499.db2.gz UGLNGOVHXDGJMX-FKBYEOEOSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502345426 1070251043 /nfs/dbraw/zinc/25/10/43/1070251043.db2.gz BFTGKHXFGDNMMG-NRFANRHFSA-N 2 2 460.671 1.205 20 0 JDADLP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001502349245 1070265395 /nfs/dbraw/zinc/26/53/95/1070265395.db2.gz QXXFHZSUVPVRRF-VWNXMTODSA-N 2 2 488.725 1.808 20 0 JDADLP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502349194 1070265495 /nfs/dbraw/zinc/26/54/95/1070265495.db2.gz POELZYVCFKJTGR-UHFFFAOYSA-N 2 2 488.725 1.954 20 0 JDADLP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502349194 1070265515 /nfs/dbraw/zinc/26/55/15/1070265515.db2.gz POELZYVCFKJTGR-UHFFFAOYSA-N 2 2 488.725 1.954 20 0 JDADLP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502349194 1070265539 /nfs/dbraw/zinc/26/55/39/1070265539.db2.gz POELZYVCFKJTGR-UHFFFAOYSA-N 2 2 488.725 1.954 20 0 JDADLP CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502349194 1070265564 /nfs/dbraw/zinc/26/55/64/1070265564.db2.gz POELZYVCFKJTGR-UHFFFAOYSA-N 2 2 488.725 1.954 20 0 JDADLP CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502352566 1070272761 /nfs/dbraw/zinc/27/27/61/1070272761.db2.gz GYLDFWASPRTUDD-SZPZYZBQSA-N 2 2 490.697 1.087 20 0 JDADLP CC[NH+]1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502352566 1070272789 /nfs/dbraw/zinc/27/27/89/1070272789.db2.gz GYLDFWASPRTUDD-SZPZYZBQSA-N 2 2 490.697 1.087 20 0 JDADLP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493691858 1070335909 /nfs/dbraw/zinc/33/59/09/1070335909.db2.gz MXZJVSPDDWSTIU-VAMGGRTRSA-N 2 2 490.678 1.730 20 0 JDADLP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493691858 1070335928 /nfs/dbraw/zinc/33/59/28/1070335928.db2.gz MXZJVSPDDWSTIU-VAMGGRTRSA-N 2 2 490.678 1.730 20 0 JDADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493691855 1070336094 /nfs/dbraw/zinc/33/60/94/1070336094.db2.gz MXZJVSPDDWSTIU-HSALFYBXSA-N 2 2 490.678 1.730 20 0 JDADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493691855 1070336113 /nfs/dbraw/zinc/33/61/13/1070336113.db2.gz MXZJVSPDDWSTIU-HSALFYBXSA-N 2 2 490.678 1.730 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493795721 1070347083 /nfs/dbraw/zinc/34/70/83/1070347083.db2.gz GEUNWUSTAIAAJQ-LEWJYISDSA-N 2 2 488.681 1.281 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493795721 1070347103 /nfs/dbraw/zinc/34/71/03/1070347103.db2.gz GEUNWUSTAIAAJQ-LEWJYISDSA-N 2 2 488.681 1.281 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001494093964 1070390754 /nfs/dbraw/zinc/39/07/54/1070390754.db2.gz DKLBKICXHJMBBN-AQNXPRMDSA-N 2 2 491.681 1.664 20 0 JDADLP C[C@@H]1C[NH+](C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)C[C@@H](C)O1 ZINC001494093964 1070390766 /nfs/dbraw/zinc/39/07/66/1070390766.db2.gz DKLBKICXHJMBBN-AQNXPRMDSA-N 2 2 491.681 1.664 20 0 JDADLP CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001495708992 1070816895 /nfs/dbraw/zinc/81/68/95/1070816895.db2.gz BDXYZISYKWMFCB-RTWAWAEBSA-N 2 2 475.682 1.771 20 0 JDADLP COc1cc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC001504099172 1070832291 /nfs/dbraw/zinc/83/22/91/1070832291.db2.gz ALAHBZXMMZKHMD-GOSISDBHSA-N 2 2 473.622 1.706 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726411 1070837462 /nfs/dbraw/zinc/83/74/62/1070837462.db2.gz VGLSIFMPFNBESP-GBXCKJPGSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726411 1070837463 /nfs/dbraw/zinc/83/74/63/1070837463.db2.gz VGLSIFMPFNBESP-GBXCKJPGSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726411 1070837464 /nfs/dbraw/zinc/83/74/64/1070837464.db2.gz VGLSIFMPFNBESP-GBXCKJPGSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726411 1070837466 /nfs/dbraw/zinc/83/74/66/1070837466.db2.gz VGLSIFMPFNBESP-GBXCKJPGSA-N 2 2 480.654 1.198 20 0 JDADLP CCOc1ccc(C[NH+]2CCN(c3nnc(C)n3CC[NH+]3CCN(C(C)=O)CC3)CC2)cc1 ZINC001502851155 1070868087 /nfs/dbraw/zinc/86/80/87/1070868087.db2.gz OCYHWPNPKDLPAJ-UHFFFAOYSA-N 2 2 455.607 1.472 20 0 JDADLP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCCn1cc[nH+]c1C ZINC001503036026 1071000225 /nfs/dbraw/zinc/00/02/25/1071000225.db2.gz XZGITBCCDUKOSJ-UGKGYDQZSA-N 2 2 472.638 1.789 20 0 JDADLP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503055163 1071010617 /nfs/dbraw/zinc/01/06/17/1071010617.db2.gz USBZUPQDSGPKGJ-OAQYLSRUSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503055163 1071010636 /nfs/dbraw/zinc/01/06/36/1071010636.db2.gz USBZUPQDSGPKGJ-OAQYLSRUSA-N 2 2 491.681 1.306 20 0 JDADLP COc1ccc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](C)[NH+](C)C)CC2)cc1F ZINC001504285450 1071011640 /nfs/dbraw/zinc/01/16/40/1071011640.db2.gz FDORAURBMXHGRP-LPHOPBHVSA-N 2 2 459.570 1.649 20 0 JDADLP CCOCc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503084528 1071032599 /nfs/dbraw/zinc/03/25/99/1071032599.db2.gz SNUSNXXOEPJSCG-HSZRJFAPSA-N 2 2 475.682 1.927 20 0 JDADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001503106792 1071058214 /nfs/dbraw/zinc/05/82/14/1071058214.db2.gz HHFFKSKEPBHNTN-FQEVSTJZSA-N 2 2 461.655 1.822 20 0 JDADLP CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001503106792 1071058226 /nfs/dbraw/zinc/05/82/26/1071058226.db2.gz HHFFKSKEPBHNTN-FQEVSTJZSA-N 2 2 461.655 1.822 20 0 JDADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001503106793 1071058411 /nfs/dbraw/zinc/05/84/11/1071058411.db2.gz HHFFKSKEPBHNTN-HXUWFJFHSA-N 2 2 461.655 1.822 20 0 JDADLP CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001503106793 1071058418 /nfs/dbraw/zinc/05/84/18/1071058418.db2.gz HHFFKSKEPBHNTN-HXUWFJFHSA-N 2 2 461.655 1.822 20 0 JDADLP COc1ccccc1Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001504412989 1071162133 /nfs/dbraw/zinc/16/21/33/1071162133.db2.gz OVBBTKBVMKKGRQ-LEWJYISDSA-N 2 2 483.661 1.961 20 0 JDADLP COc1ccccc1Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001504412990 1071163239 /nfs/dbraw/zinc/16/32/39/1071163239.db2.gz OVBBTKBVMKKGRQ-NHCUHLMSSA-N 2 2 483.661 1.961 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001503215761 1071164308 /nfs/dbraw/zinc/16/43/08/1071164308.db2.gz JEIUZQCGCYAGTI-SFTDATJTSA-N 2 2 477.654 1.172 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001503218629 1071170475 /nfs/dbraw/zinc/17/04/75/1071170475.db2.gz FGKIARWYQCWHGT-FQEVSTJZSA-N 2 2 458.607 1.833 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001503218629 1071170484 /nfs/dbraw/zinc/17/04/84/1071170484.db2.gz FGKIARWYQCWHGT-FQEVSTJZSA-N 2 2 458.607 1.833 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001503222153 1071180593 /nfs/dbraw/zinc/18/05/93/1071180593.db2.gz XJRXPMMMMWHZFR-AQNXPRMDSA-N 2 2 477.654 1.276 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222162 1071180896 /nfs/dbraw/zinc/18/08/96/1071180896.db2.gz XJRXPMMMMWHZFR-ZCNNSNEGSA-N 2 2 477.654 1.276 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222162 1071180918 /nfs/dbraw/zinc/18/09/18/1071180918.db2.gz XJRXPMMMMWHZFR-ZCNNSNEGSA-N 2 2 477.654 1.276 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222157 1071181027 /nfs/dbraw/zinc/18/10/27/1071181027.db2.gz XJRXPMMMMWHZFR-HSALFYBXSA-N 2 2 477.654 1.276 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222157 1071181041 /nfs/dbraw/zinc/18/10/41/1071181041.db2.gz XJRXPMMMMWHZFR-HSALFYBXSA-N 2 2 477.654 1.276 20 0 JDADLP COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001504858544 1071783275 /nfs/dbraw/zinc/78/32/75/1071783275.db2.gz ZBXHWJFTSYJHCP-UHFFFAOYSA-N 2 2 454.579 1.845 20 0 JDADLP COCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001504858544 1071783285 /nfs/dbraw/zinc/78/32/85/1071783285.db2.gz ZBXHWJFTSYJHCP-UHFFFAOYSA-N 2 2 454.579 1.845 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504911244 1071867074 /nfs/dbraw/zinc/86/70/74/1071867074.db2.gz UGFIHAUEKIPAPI-DPLHUUCSSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504911244 1071867077 /nfs/dbraw/zinc/86/70/77/1071867077.db2.gz UGFIHAUEKIPAPI-DPLHUUCSSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504911244 1071867081 /nfs/dbraw/zinc/86/70/81/1071867081.db2.gz UGFIHAUEKIPAPI-DPLHUUCSSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504911244 1071867083 /nfs/dbraw/zinc/86/70/83/1071867083.db2.gz UGFIHAUEKIPAPI-DPLHUUCSSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504911247 1071867128 /nfs/dbraw/zinc/86/71/28/1071867128.db2.gz UGFIHAUEKIPAPI-HFMPRLQTSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504911247 1071867130 /nfs/dbraw/zinc/86/71/30/1071867130.db2.gz UGFIHAUEKIPAPI-HFMPRLQTSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504911247 1071867133 /nfs/dbraw/zinc/86/71/33/1071867133.db2.gz UGFIHAUEKIPAPI-HFMPRLQTSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504911247 1071867136 /nfs/dbraw/zinc/86/71/36/1071867136.db2.gz UGFIHAUEKIPAPI-HFMPRLQTSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001504915070 1071876721 /nfs/dbraw/zinc/87/67/21/1071876721.db2.gz ZIOHWKKYYHUOPB-UHFFFAOYSA-N 2 2 471.650 1.748 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001504915070 1071876729 /nfs/dbraw/zinc/87/67/29/1071876729.db2.gz ZIOHWKKYYHUOPB-UHFFFAOYSA-N 2 2 471.650 1.748 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504915070 1071876731 /nfs/dbraw/zinc/87/67/31/1071876731.db2.gz ZIOHWKKYYHUOPB-UHFFFAOYSA-N 2 2 471.650 1.748 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504915070 1071876737 /nfs/dbraw/zinc/87/67/37/1071876737.db2.gz ZIOHWKKYYHUOPB-UHFFFAOYSA-N 2 2 471.650 1.748 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001504915523 1071878036 /nfs/dbraw/zinc/87/80/36/1071878036.db2.gz UVZHMBFORMWMET-LJQANCHMSA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccccc3Cl)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001504915523 1071878041 /nfs/dbraw/zinc/87/80/41/1071878041.db2.gz UVZHMBFORMWMET-LJQANCHMSA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504916234 1071880021 /nfs/dbraw/zinc/88/00/21/1071880021.db2.gz DNYJAGRFZSKUGZ-FQEVSTJZSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504916234 1071880027 /nfs/dbraw/zinc/88/00/27/1071880027.db2.gz DNYJAGRFZSKUGZ-FQEVSTJZSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504916234 1071880029 /nfs/dbraw/zinc/88/00/29/1071880029.db2.gz DNYJAGRFZSKUGZ-FQEVSTJZSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504916234 1071880034 /nfs/dbraw/zinc/88/00/34/1071880034.db2.gz DNYJAGRFZSKUGZ-FQEVSTJZSA-N 2 2 457.623 1.916 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504918890 1071887548 /nfs/dbraw/zinc/88/75/48/1071887548.db2.gz DLCUWYDSMPRNHZ-SFHVURJKSA-N 2 2 464.561 1.636 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504923322 1071902248 /nfs/dbraw/zinc/90/22/48/1071902248.db2.gz VXMAIRONJFBKKH-FQEVSTJZSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504923322 1071902255 /nfs/dbraw/zinc/90/22/55/1071902255.db2.gz VXMAIRONJFBKKH-FQEVSTJZSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504923322 1071902263 /nfs/dbraw/zinc/90/22/63/1071902263.db2.gz VXMAIRONJFBKKH-FQEVSTJZSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@@H]1C ZINC001504923322 1071902270 /nfs/dbraw/zinc/90/22/70/1071902270.db2.gz VXMAIRONJFBKKH-FQEVSTJZSA-N 2 2 457.623 1.532 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001504926009 1071916556 /nfs/dbraw/zinc/91/65/56/1071916556.db2.gz HHYMCWXONCXLMO-HKBOAZHASA-N 2 2 480.654 1.270 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCOCC2(C)C)C[C@H]1C ZINC001504926009 1071916563 /nfs/dbraw/zinc/91/65/63/1071916563.db2.gz HHYMCWXONCXLMO-HKBOAZHASA-N 2 2 480.654 1.270 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1C ZINC001504926009 1071916573 /nfs/dbraw/zinc/91/65/73/1071916573.db2.gz HHYMCWXONCXLMO-HKBOAZHASA-N 2 2 480.654 1.270 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1C ZINC001504926009 1071916580 /nfs/dbraw/zinc/91/65/80/1071916580.db2.gz HHYMCWXONCXLMO-HKBOAZHASA-N 2 2 480.654 1.270 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504926438 1071918864 /nfs/dbraw/zinc/91/88/64/1071918864.db2.gz QYZBKOKHGSIBAB-SFTDATJTSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504926438 1071918872 /nfs/dbraw/zinc/91/88/72/1071918872.db2.gz QYZBKOKHGSIBAB-SFTDATJTSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504926438 1071918880 /nfs/dbraw/zinc/91/88/80/1071918880.db2.gz QYZBKOKHGSIBAB-SFTDATJTSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001504926438 1071918889 /nfs/dbraw/zinc/91/88/89/1071918889.db2.gz QYZBKOKHGSIBAB-SFTDATJTSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504927490 1071922899 /nfs/dbraw/zinc/92/28/99/1071922899.db2.gz XLTBOEBJZDYSMJ-MOPGFXCFSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504927490 1071922910 /nfs/dbraw/zinc/92/29/10/1071922910.db2.gz XLTBOEBJZDYSMJ-MOPGFXCFSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504927490 1071922920 /nfs/dbraw/zinc/92/29/20/1071922920.db2.gz XLTBOEBJZDYSMJ-MOPGFXCFSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001504927490 1071922938 /nfs/dbraw/zinc/92/29/38/1071922938.db2.gz XLTBOEBJZDYSMJ-MOPGFXCFSA-N 2 2 491.662 1.147 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504960916 1072005509 /nfs/dbraw/zinc/00/55/09/1072005509.db2.gz BMMXZNSAFRPUIV-NJYVYQBISA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504960916 1072005524 /nfs/dbraw/zinc/00/55/24/1072005524.db2.gz BMMXZNSAFRPUIV-NJYVYQBISA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504994377 1072061862 /nfs/dbraw/zinc/06/18/62/1072061862.db2.gz KFIDRUKZUZIPQU-RTWAWAEBSA-N 2 2 494.681 1.802 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504994377 1072061872 /nfs/dbraw/zinc/06/18/72/1072061872.db2.gz KFIDRUKZUZIPQU-RTWAWAEBSA-N 2 2 494.681 1.802 20 0 JDADLP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505073605 1072184723 /nfs/dbraw/zinc/18/47/23/1072184723.db2.gz ZYMZYXWGDYNNID-UNMCSNQZSA-N 2 2 477.654 1.133 20 0 JDADLP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@@H+](C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505079318 1072196765 /nfs/dbraw/zinc/19/67/65/1072196765.db2.gz YQBMYMGKTNKSKE-VXKWHMMOSA-N 2 2 477.654 1.087 20 0 JDADLP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505079318 1072196784 /nfs/dbraw/zinc/19/67/84/1072196784.db2.gz YQBMYMGKTNKSKE-VXKWHMMOSA-N 2 2 477.654 1.087 20 0 JDADLP CN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464841754 1067671147 /nfs/dbraw/zinc/67/11/47/1067671147.db2.gz ABTCZIHCVQNKAW-UHFFFAOYSA-N 2 2 456.591 1.281 20 0 JDADLP CN(C(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843018 1067671608 /nfs/dbraw/zinc/67/16/08/1067671608.db2.gz FBUGDDJYLORSPT-HXUWFJFHSA-N 2 2 456.509 1.436 20 0 JDADLP CN(C(=O)Cc1cccc(Br)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464842061 1067671885 /nfs/dbraw/zinc/67/18/85/1067671885.db2.gz BWDUBMZLEYVJPP-UHFFFAOYSA-N 2 2 451.409 1.688 20 0 JDADLP CN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843683 1067672304 /nfs/dbraw/zinc/67/23/04/1067672304.db2.gz IADRHQNKAKBBQV-HXUWFJFHSA-N 2 2 452.640 1.687 20 0 JDADLP CN(C(=O)Cc1ccc(Br)s1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464844083 1067672686 /nfs/dbraw/zinc/67/26/86/1067672686.db2.gz JDLDWRVIRAOIAS-UHFFFAOYSA-N 2 2 457.438 1.750 20 0 JDADLP CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465024092 1067729840 /nfs/dbraw/zinc/72/98/40/1067729840.db2.gz XGTTXJWGUXSDSP-RBUKOAKNSA-N 2 2 451.637 1.607 20 0 JDADLP CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465024092 1067729855 /nfs/dbraw/zinc/72/98/55/1067729855.db2.gz XGTTXJWGUXSDSP-RBUKOAKNSA-N 2 2 451.637 1.607 20 0 JDADLP CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465024089 1067730047 /nfs/dbraw/zinc/73/00/47/1067730047.db2.gz XGTTXJWGUXSDSP-OALUTQOASA-N 2 2 451.637 1.607 20 0 JDADLP CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465024089 1067730060 /nfs/dbraw/zinc/73/00/60/1067730060.db2.gz XGTTXJWGUXSDSP-OALUTQOASA-N 2 2 451.637 1.607 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC001465804523 1067832078 /nfs/dbraw/zinc/83/20/78/1067832078.db2.gz PHXBOXWCQMGHJL-NRFANRHFSA-N 2 2 458.651 1.788 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC001465804523 1067832081 /nfs/dbraw/zinc/83/20/81/1067832081.db2.gz PHXBOXWCQMGHJL-NRFANRHFSA-N 2 2 458.651 1.788 20 0 JDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001467604744 1068036253 /nfs/dbraw/zinc/03/62/53/1068036253.db2.gz ZIJFPESVEUUAKZ-RCZVLFRGSA-N 2 2 456.679 1.992 20 0 JDADLP CC1(C)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC(C)(C)[NH2+]1 ZINC001467646816 1068043863 /nfs/dbraw/zinc/04/38/63/1068043863.db2.gz LMNRHZBDXFCFRE-UHFFFAOYSA-N 2 2 452.625 1.096 20 0 JDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001468611845 1068324784 /nfs/dbraw/zinc/32/47/84/1068324784.db2.gz COHFRPFNKOSOIR-UHFFFAOYSA-N 2 2 451.015 1.314 20 0 JDADLP CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001468874110 1068385333 /nfs/dbraw/zinc/38/53/33/1068385333.db2.gz YFWJQXQBLGETBY-SFHVURJKSA-N 2 2 452.621 1.669 20 0 JDADLP CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001468874110 1068385348 /nfs/dbraw/zinc/38/53/48/1068385348.db2.gz YFWJQXQBLGETBY-SFHVURJKSA-N 2 2 452.621 1.669 20 0 JDADLP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001468933563 1068395732 /nfs/dbraw/zinc/39/57/32/1068395732.db2.gz FKHXVDAMICJDFS-LOSJGSFVSA-N 2 2 452.599 1.648 20 0 JDADLP O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC001468933563 1068395754 /nfs/dbraw/zinc/39/57/54/1068395754.db2.gz FKHXVDAMICJDFS-LOSJGSFVSA-N 2 2 452.599 1.648 20 0 JDADLP CN(C)c1ccc([NH+]2CCC(NC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CC2)cc1 ZINC001469024484 1068427401 /nfs/dbraw/zinc/42/74/01/1068427401.db2.gz AIGXXIQEZDKNDC-UHFFFAOYSA-N 2 2 458.651 1.817 20 0 JDADLP COC(=O)[C@@]1(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001469625252 1068557621 /nfs/dbraw/zinc/55/76/21/1068557621.db2.gz RPIBWFOGYFCSEB-RUZDIDTESA-N 2 2 451.571 1.771 20 0 JDADLP COC(=O)[C@@]1(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001469625252 1068557635 /nfs/dbraw/zinc/55/76/35/1068557635.db2.gz RPIBWFOGYFCSEB-RUZDIDTESA-N 2 2 451.571 1.771 20 0 JDADLP C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001470093683 1068691669 /nfs/dbraw/zinc/69/16/69/1068691669.db2.gz ICLNOJBYUQTABH-AUSIDOKSSA-N 2 2 453.591 1.836 20 0 JDADLP C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC001470093683 1068691681 /nfs/dbraw/zinc/69/16/81/1068691681.db2.gz ICLNOJBYUQTABH-AUSIDOKSSA-N 2 2 453.591 1.836 20 0 JDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001470530857 1068777307 /nfs/dbraw/zinc/77/73/07/1068777307.db2.gz JFJXLXYZODNEFI-JOCHJYFZSA-N 2 2 459.635 1.862 20 0 JDADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001470530857 1068777324 /nfs/dbraw/zinc/77/73/24/1068777324.db2.gz JFJXLXYZODNEFI-JOCHJYFZSA-N 2 2 459.635 1.862 20 0 JDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824868 /nfs/dbraw/zinc/82/48/68/1068824868.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824869 /nfs/dbraw/zinc/82/48/69/1068824869.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824871 /nfs/dbraw/zinc/82/48/71/1068824871.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936754 1068824875 /nfs/dbraw/zinc/82/48/75/1068824875.db2.gz ULSGMUGYQFZFCQ-AZGAKELHSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825062 /nfs/dbraw/zinc/82/50/62/1068825062.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825063 /nfs/dbraw/zinc/82/50/63/1068825063.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825064 /nfs/dbraw/zinc/82/50/64/1068825064.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936752 1068825071 /nfs/dbraw/zinc/82/50/71/1068825071.db2.gz ULSGMUGYQFZFCQ-AHWVRZQESA-N 2 2 451.615 1.739 20 0 JDADLP CC(=O)N[C@](C)(C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccc(S(C)(=O)=O)cc1 ZINC001471050292 1068832149 /nfs/dbraw/zinc/83/21/49/1068832149.db2.gz KXMLUGXSNFQDRY-QFIPXVFZSA-N 2 2 459.572 1.227 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123875 1068837697 /nfs/dbraw/zinc/83/76/97/1068837697.db2.gz BNFOACKVVLAIAW-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123875 1068837698 /nfs/dbraw/zinc/83/76/98/1068837698.db2.gz BNFOACKVVLAIAW-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001471123875 1068837700 /nfs/dbraw/zinc/83/77/00/1068837700.db2.gz BNFOACKVVLAIAW-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001471123875 1068837702 /nfs/dbraw/zinc/83/77/02/1068837702.db2.gz BNFOACKVVLAIAW-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499642662 1069024891 /nfs/dbraw/zinc/02/48/91/1069024891.db2.gz PYIQTACIZSDOAT-VAMGGRTRSA-N 2 2 473.622 1.859 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC001499727011 1069057099 /nfs/dbraw/zinc/05/70/99/1069057099.db2.gz AUSYLOXUWFBFHP-BHDDXSALSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC001499727011 1069057102 /nfs/dbraw/zinc/05/71/02/1069057102.db2.gz AUSYLOXUWFBFHP-BHDDXSALSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001499727011 1069057105 /nfs/dbraw/zinc/05/71/05/1069057105.db2.gz AUSYLOXUWFBFHP-BHDDXSALSA-N 2 2 496.722 1.848 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC001499727011 1069057109 /nfs/dbraw/zinc/05/71/09/1069057109.db2.gz AUSYLOXUWFBFHP-BHDDXSALSA-N 2 2 496.722 1.848 20 0 JDADLP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001473111307 1069073206 /nfs/dbraw/zinc/07/32/06/1069073206.db2.gz RENMAAKLYCVBDC-FQEVSTJZSA-N 2 2 454.662 1.968 20 0 JDADLP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001473111307 1069073207 /nfs/dbraw/zinc/07/32/07/1069073207.db2.gz RENMAAKLYCVBDC-FQEVSTJZSA-N 2 2 454.662 1.968 20 0 JDADLP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473248526 1069106032 /nfs/dbraw/zinc/10/60/32/1069106032.db2.gz UOKUMWFBXHMJDR-TZIWHRDSSA-N 2 2 458.603 1.549 20 0 JDADLP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001473294040 1069117996 /nfs/dbraw/zinc/11/79/96/1069117996.db2.gz FKDZLTCYUOMMEZ-QZTJIDSGSA-N 2 2 459.595 1.956 20 0 JDADLP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001473294040 1069118010 /nfs/dbraw/zinc/11/80/10/1069118010.db2.gz FKDZLTCYUOMMEZ-QZTJIDSGSA-N 2 2 459.595 1.956 20 0 JDADLP C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC001473586313 1069187257 /nfs/dbraw/zinc/18/72/57/1069187257.db2.gz GOPHFCPWUBDOJK-DEOSSOPVSA-N 2 2 450.543 1.568 20 0 JDADLP C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC001473586313 1069187264 /nfs/dbraw/zinc/18/72/64/1069187264.db2.gz GOPHFCPWUBDOJK-DEOSSOPVSA-N 2 2 450.543 1.568 20 0 JDADLP Cc1csc(N2CCC([NH2+]CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)n1 ZINC001473935666 1069238252 /nfs/dbraw/zinc/23/82/52/1069238252.db2.gz BQJJPGBHGOUCNZ-UHFFFAOYSA-N 2 2 450.634 1.557 20 0 JDADLP O=S1(=O)C[C@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)[C@@H](N2CCOCC2)C1 ZINC001473999999 1069239459 /nfs/dbraw/zinc/23/94/59/1069239459.db2.gz XRMFABMXKRVCJQ-OALUTQOASA-N 2 2 454.980 1.203 20 0 JDADLP Cn1nc(Br)cc1C[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001474127982 1069240367 /nfs/dbraw/zinc/24/03/67/1069240367.db2.gz ZIVMGJISDGNHIO-CQSZACIVSA-N 2 2 450.385 1.119 20 0 JDADLP CN(C)c1nc(Cl)c(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)s1 ZINC001474476404 1069246451 /nfs/dbraw/zinc/24/64/51/1069246451.db2.gz XMHQJIIEWQNART-AWEZNQCLSA-N 2 2 452.028 1.799 20 0 JDADLP CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001500413631 1069246613 /nfs/dbraw/zinc/24/66/13/1069246613.db2.gz LMBYYSNPCYNMIL-OAQYLSRUSA-N 2 2 485.681 1.934 20 0 JDADLP CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001500413631 1069246620 /nfs/dbraw/zinc/24/66/20/1069246620.db2.gz LMBYYSNPCYNMIL-OAQYLSRUSA-N 2 2 485.681 1.934 20 0 JDADLP CCCC[N@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001500417184 1069248782 /nfs/dbraw/zinc/24/87/82/1069248782.db2.gz KNAKZRLXZVQDCK-RTWAWAEBSA-N 2 2 461.655 1.647 20 0 JDADLP CCCC[N@@H+](C)CCn1c([C@H]2CCOC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001500417184 1069248792 /nfs/dbraw/zinc/24/87/92/1069248792.db2.gz KNAKZRLXZVQDCK-RTWAWAEBSA-N 2 2 461.655 1.647 20 0 JDADLP CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001500422911 1069251633 /nfs/dbraw/zinc/25/16/33/1069251633.db2.gz SPODQLBTBCJREO-LEWJYISDSA-N 2 2 461.655 1.994 20 0 JDADLP CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001500422911 1069251639 /nfs/dbraw/zinc/25/16/39/1069251639.db2.gz SPODQLBTBCJREO-LEWJYISDSA-N 2 2 461.655 1.994 20 0 JDADLP CCCC[N@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001500422912 1069251741 /nfs/dbraw/zinc/25/17/41/1069251741.db2.gz SPODQLBTBCJREO-NHCUHLMSSA-N 2 2 461.655 1.994 20 0 JDADLP CCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001500422912 1069251754 /nfs/dbraw/zinc/25/17/54/1069251754.db2.gz SPODQLBTBCJREO-NHCUHLMSSA-N 2 2 461.655 1.994 20 0 JDADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001505290431 1072476778 /nfs/dbraw/zinc/47/67/78/1072476778.db2.gz UHTPVTJBJVKABI-BGYRXZFFSA-N 2 2 458.611 1.393 20 0 JDADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001505290431 1072476784 /nfs/dbraw/zinc/47/67/84/1072476784.db2.gz UHTPVTJBJVKABI-BGYRXZFFSA-N 2 2 458.611 1.393 20 0 JDADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cccnc3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001505290526 1072476975 /nfs/dbraw/zinc/47/69/75/1072476975.db2.gz XTDJBDBSQCQXRU-BGYRXZFFSA-N 2 2 457.623 1.996 20 0 JDADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cccnc3)n2CC[NH+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001505290526 1072476984 /nfs/dbraw/zinc/47/69/84/1072476984.db2.gz XTDJBDBSQCQXRU-BGYRXZFFSA-N 2 2 457.623 1.996 20 0 JDADLP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001505290526 1072476992 /nfs/dbraw/zinc/47/69/92/1072476992.db2.gz XTDJBDBSQCQXRU-BGYRXZFFSA-N 2 2 457.623 1.996 20 0 JDADLP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cccnc3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H](C)O1 ZINC001505290526 1072477000 /nfs/dbraw/zinc/47/70/00/1072477000.db2.gz XTDJBDBSQCQXRU-BGYRXZFFSA-N 2 2 457.623 1.996 20 0 JDADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508266902 1073033106 /nfs/dbraw/zinc/03/31/06/1073033106.db2.gz CILUQHNJCZYZRX-UNMCSNQZSA-N 2 2 489.709 1.966 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508273157 1073041719 /nfs/dbraw/zinc/04/17/19/1073041719.db2.gz OPORDPSFRJORJK-QNWVGRARSA-N 2 2 475.682 1.434 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508273160 1073041801 /nfs/dbraw/zinc/04/18/01/1073041801.db2.gz OPORDPSFRJORJK-QZNHQXDQSA-N 2 2 475.682 1.434 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(N3CCC[C@H](C[NH+]4CCOCC4)C3)nnc2C(C)(C)C)CC1 ZINC001508273770 1073042549 /nfs/dbraw/zinc/04/25/49/1073042549.db2.gz NPLICMQKUQZSRF-OAQYLSRUSA-N 2 2 461.655 1.288 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)CC1 ZINC001508275310 1073045547 /nfs/dbraw/zinc/04/55/47/1073045547.db2.gz UUSBJNFBLSNRNL-JTHBVZDNSA-N 2 2 499.708 1.993 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(N(C)C[C@@H]3CCC[N@@H+](C)[C@H]3c3cnn(C)c3)nnc2C(C)(C)C)CC1 ZINC001508275310 1073045556 /nfs/dbraw/zinc/04/55/56/1073045556.db2.gz UUSBJNFBLSNRNL-JTHBVZDNSA-N 2 2 499.708 1.993 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508276878 1073049912 /nfs/dbraw/zinc/04/99/12/1073049912.db2.gz XAMLZVBFVCFDCC-TUNNFDKTSA-N 2 2 461.655 1.359 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508276877 1073050208 /nfs/dbraw/zinc/05/02/08/1073050208.db2.gz XAMLZVBFVCFDCC-RZUBCFFCSA-N 2 2 461.655 1.359 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001508277125 1073050297 /nfs/dbraw/zinc/05/02/97/1073050297.db2.gz DYTRSQXKXAERLV-NRFANRHFSA-N 2 2 461.655 1.189 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CCC[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508277500 1073051176 /nfs/dbraw/zinc/05/11/76/1073051176.db2.gz XLUDTKURTFAHSL-RBBKRZOGSA-N 2 2 461.655 1.188 20 0 JDADLP CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001509108484 1073503739 /nfs/dbraw/zinc/50/37/39/1073503739.db2.gz BBIJCQKGTIWBTR-RTWAWAEBSA-N 2 2 483.665 1.844 20 0 JDADLP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001509207561 1073531051 /nfs/dbraw/zinc/53/10/51/1073531051.db2.gz KENMIOJRAOYLSS-HXUWFJFHSA-N 2 2 454.623 1.729 20 0 JDADLP CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001509207561 1073531070 /nfs/dbraw/zinc/53/10/70/1073531070.db2.gz KENMIOJRAOYLSS-HXUWFJFHSA-N 2 2 454.623 1.729 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001509406363 1073585563 /nfs/dbraw/zinc/58/55/63/1073585563.db2.gz UVYQEOYUFGNPSW-QPPBQGQZSA-N 2 2 464.655 1.817 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001509406363 1073585575 /nfs/dbraw/zinc/58/55/75/1073585575.db2.gz UVYQEOYUFGNPSW-QPPBQGQZSA-N 2 2 464.655 1.817 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001509428960 1073604397 /nfs/dbraw/zinc/60/43/97/1073604397.db2.gz NPMLLNMZFBOGMQ-WIYYLYMNSA-N 2 2 470.709 1.396 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001509432657 1073612294 /nfs/dbraw/zinc/61/22/94/1073612294.db2.gz MWQHOUJMYHRDGB-IBGZPJMESA-N 2 2 475.663 1.768 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001509432657 1073612303 /nfs/dbraw/zinc/61/23/03/1073612303.db2.gz MWQHOUJMYHRDGB-IBGZPJMESA-N 2 2 475.663 1.768 20 0 JDADLP CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001509514684 1073659315 /nfs/dbraw/zinc/65/93/15/1073659315.db2.gz RODVMIFRMBLRKC-OAQYLSRUSA-N 2 2 483.665 1.988 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001509514684 1073659324 /nfs/dbraw/zinc/65/93/24/1073659324.db2.gz RODVMIFRMBLRKC-OAQYLSRUSA-N 2 2 483.665 1.988 20 0 JDADLP CC(C)[N@@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509561881 1073683774 /nfs/dbraw/zinc/68/37/74/1073683774.db2.gz AOPQFIZAIANIKH-LJQANCHMSA-N 2 2 475.663 1.911 20 0 JDADLP CC(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509561881 1073683778 /nfs/dbraw/zinc/68/37/78/1073683778.db2.gz AOPQFIZAIANIKH-LJQANCHMSA-N 2 2 475.663 1.911 20 0 JDADLP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001509582366 1073705840 /nfs/dbraw/zinc/70/58/40/1073705840.db2.gz RBUKSWCEUMTJDJ-UHFFFAOYSA-N 2 2 488.706 1.826 20 0 JDADLP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001509582366 1073705863 /nfs/dbraw/zinc/70/58/63/1073705863.db2.gz RBUKSWCEUMTJDJ-UHFFFAOYSA-N 2 2 488.706 1.826 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405554 718863636 /nfs/dbraw/zinc/86/36/36/718863636.db2.gz FAQFRKXNZDHNEC-NQIIRXRSSA-N 2 2 487.674 1.090 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164405553 718863667 /nfs/dbraw/zinc/86/36/67/718863667.db2.gz FAQFRKXNZDHNEC-GHTZIAJQSA-N 2 2 487.674 1.090 20 0 JDADLP [NH3+][C@]12C[C@H]1CCN(c1nc3cc(C[NH+]4CCN([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164421417 718896075 /nfs/dbraw/zinc/89/60/75/718896075.db2.gz QMBCZQXEZFXLLW-WYEJZRMESA-N 2 2 499.685 1.362 20 0 JDADLP [NH3+][C@]12C[C@H]1CCN(c1nc3cc(CN4CC[NH+]([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164421417 718896076 /nfs/dbraw/zinc/89/60/76/718896076.db2.gz QMBCZQXEZFXLLW-WYEJZRMESA-N 2 2 499.685 1.362 20 0 JDADLP Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)nn1 ZINC001164635742 719265838 /nfs/dbraw/zinc/26/58/38/719265838.db2.gz IEHYGSQEQCXFJB-YKSBVNFPSA-N 2 2 453.591 1.656 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@H]4C3)[nH+]2)CC1 ZINC001164702690 719819443 /nfs/dbraw/zinc/81/94/43/719819443.db2.gz SXJNPRHAUDYZMI-FCEUIQTBSA-N 2 2 450.587 1.571 20 0 JDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001164709135 719918913 /nfs/dbraw/zinc/91/89/13/719918913.db2.gz ZDNLAPPTFQPCCZ-UHFFFAOYSA-N 2 2 453.591 1.240 20 0 JDADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714626 720149983 /nfs/dbraw/zinc/14/99/83/720149983.db2.gz XSDLAPPPEFVAKC-RTWAWAEBSA-N 2 2 465.602 1.833 20 0 JDADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714626 720149986 /nfs/dbraw/zinc/14/99/86/720149986.db2.gz XSDLAPPPEFVAKC-RTWAWAEBSA-N 2 2 465.602 1.833 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC001164829554 720337054 /nfs/dbraw/zinc/33/70/54/720337054.db2.gz SLKAUNWIPCLTNG-RTWAWAEBSA-N 2 2 468.650 1.984 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC001164829554 720337064 /nfs/dbraw/zinc/33/70/64/720337064.db2.gz SLKAUNWIPCLTNG-RTWAWAEBSA-N 2 2 468.650 1.984 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164824795 720362168 /nfs/dbraw/zinc/36/21/68/720362168.db2.gz LOYRTTVTVWSOEA-UHFFFAOYSA-N 2 2 462.023 1.854 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)CC3)C2=O)cs1 ZINC001164824795 720362174 /nfs/dbraw/zinc/36/21/74/720362174.db2.gz LOYRTTVTVWSOEA-UHFFFAOYSA-N 2 2 462.023 1.854 20 0 JDADLP CCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nc(N2CCOCC2)[nH+]1 ZINC001164820065 720375360 /nfs/dbraw/zinc/37/53/60/720375360.db2.gz KXLCELIFVISOMS-UHFFFAOYSA-N 2 2 485.658 1.954 20 0 JDADLP CCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nc(N2CCOCC2)[nH+]1 ZINC001164820065 720375366 /nfs/dbraw/zinc/37/53/66/720375366.db2.gz KXLCELIFVISOMS-UHFFFAOYSA-N 2 2 485.658 1.954 20 0 JDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)C2 ZINC001164822030 720442805 /nfs/dbraw/zinc/44/28/05/720442805.db2.gz BXKWGSSIEYRGML-SFHVURJKSA-N 2 2 476.025 1.783 20 0 JDADLP CCOC(=O)c1c[nH]c2cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)[nH+]cc21 ZINC001164829334 720468132 /nfs/dbraw/zinc/46/81/32/720468132.db2.gz FSZWZZQZWCWHJW-QGZVFWFLSA-N 2 2 468.558 1.926 20 0 JDADLP CCOC(=O)c1c[nH]c2cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)[nH+]cc21 ZINC001164829332 720468832 /nfs/dbraw/zinc/46/88/32/720468832.db2.gz FSZWZZQZWCWHJW-KRWDZBQOSA-N 2 2 468.558 1.926 20 0 JDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164834071 720479558 /nfs/dbraw/zinc/47/95/58/720479558.db2.gz RHLNVULLPYVQKE-FQEVSTJZSA-N 3 2 470.618 1.741 20 0 JDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164835077 720482203 /nfs/dbraw/zinc/48/22/03/720482203.db2.gz WLPIIZZILIWXGZ-NRFANRHFSA-N 2 2 470.618 1.646 20 0 JDADLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164850991 720846116 /nfs/dbraw/zinc/84/61/16/720846116.db2.gz GEMMRCSOIHCOTK-NQIIRXRSSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC001164850991 720846118 /nfs/dbraw/zinc/84/61/18/720846118.db2.gz GEMMRCSOIHCOTK-NQIIRXRSSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@@H]2C1 ZINC001164862928 720872206 /nfs/dbraw/zinc/87/22/06/720872206.db2.gz SBSODPQOTOIYSV-CTNGQTDRSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@@H]2C1 ZINC001164862928 720872213 /nfs/dbraw/zinc/87/22/13/720872213.db2.gz SBSODPQOTOIYSV-CTNGQTDRSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164859858 720883517 /nfs/dbraw/zinc/88/35/17/720883517.db2.gz MWUSEMABLRCJQL-JTHBVZDNSA-N 2 2 452.603 1.977 20 0 JDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164859858 720883519 /nfs/dbraw/zinc/88/35/19/720883519.db2.gz MWUSEMABLRCJQL-JTHBVZDNSA-N 2 2 452.603 1.977 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)NCc5ccccn5)[C@H]4C3)[nH+]2)CC1 ZINC001164762398 721021934 /nfs/dbraw/zinc/02/19/34/721021934.db2.gz VKRGUKOQHFDRTK-BDTNDASRSA-N 2 2 450.587 1.776 20 0 JDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164778875 721335790 /nfs/dbraw/zinc/33/57/90/721335790.db2.gz ZQAYDFBWBGYTPF-XMMPIXPASA-N 2 2 455.607 1.952 20 0 JDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164778875 721335794 /nfs/dbraw/zinc/33/57/94/721335794.db2.gz ZQAYDFBWBGYTPF-XMMPIXPASA-N 2 2 455.607 1.952 20 0 JDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164778874 721336072 /nfs/dbraw/zinc/33/60/72/721336072.db2.gz ZQAYDFBWBGYTPF-DEOSSOPVSA-N 2 2 455.607 1.952 20 0 JDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH+](C)CC4)nn3)C2)C1 ZINC001164778874 721336074 /nfs/dbraw/zinc/33/60/74/721336074.db2.gz ZQAYDFBWBGYTPF-DEOSSOPVSA-N 2 2 455.607 1.952 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164897220 721510111 /nfs/dbraw/zinc/51/01/11/721510111.db2.gz FMHKHTANLVHHRZ-AEFFLSMTSA-N 2 2 461.563 1.049 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n1)CC[NH2+]CC2 ZINC001164897220 721510117 /nfs/dbraw/zinc/51/01/17/721510117.db2.gz FMHKHTANLVHHRZ-AEFFLSMTSA-N 2 2 461.563 1.049 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164897232 721510418 /nfs/dbraw/zinc/51/04/18/721510418.db2.gz FMHKHTANLVHHRZ-WMZOPIPTSA-N 2 2 461.563 1.049 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n1)CC[NH2+]CC2 ZINC001164897232 721510420 /nfs/dbraw/zinc/51/04/20/721510420.db2.gz FMHKHTANLVHHRZ-WMZOPIPTSA-N 2 2 461.563 1.049 20 0 JDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]2)CC3)CC1 ZINC001164799147 721518306 /nfs/dbraw/zinc/51/83/06/721518306.db2.gz XKWLBYNRIMFLFH-UHFFFAOYSA-N 2 2 492.609 1.632 20 0 JDADLP CCc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(N2CCOCC2)[nH+]1 ZINC001164917092 721789645 /nfs/dbraw/zinc/78/96/45/721789645.db2.gz WRJHBHWXAJIDNX-DEOSSOPVSA-N 2 2 454.575 1.378 20 0 JDADLP CCc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(N2CCOCC2)[nH+]1 ZINC001164917092 721789650 /nfs/dbraw/zinc/78/96/50/721789650.db2.gz WRJHBHWXAJIDNX-DEOSSOPVSA-N 2 2 454.575 1.378 20 0 JDADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164915740 721798358 /nfs/dbraw/zinc/79/83/58/721798358.db2.gz ZDOQUBGUDWFXJC-DEOSSOPVSA-N 2 2 454.575 1.358 20 0 JDADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164915740 721798361 /nfs/dbraw/zinc/79/83/61/721798361.db2.gz ZDOQUBGUDWFXJC-DEOSSOPVSA-N 2 2 454.575 1.358 20 0 JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@@H]21 ZINC001165026937 721803217 /nfs/dbraw/zinc/80/32/17/721803217.db2.gz SPHDFQTYPWGVGN-AKIFATBCSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@@H]21 ZINC001165026937 721803218 /nfs/dbraw/zinc/80/32/18/721803218.db2.gz SPHDFQTYPWGVGN-AKIFATBCSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026937 721803222 /nfs/dbraw/zinc/80/32/22/721803222.db2.gz SPHDFQTYPWGVGN-AKIFATBCSA-N 2 2 494.644 1.677 20 0 JDADLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC001165026937 721803223 /nfs/dbraw/zinc/80/32/23/721803223.db2.gz SPHDFQTYPWGVGN-AKIFATBCSA-N 2 2 494.644 1.677 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164984610 722131434 /nfs/dbraw/zinc/13/14/34/722131434.db2.gz XQVHHKXMUMBDEB-YADHBBJMSA-N 2 2 466.586 1.988 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164984610 722131435 /nfs/dbraw/zinc/13/14/35/722131435.db2.gz XQVHHKXMUMBDEB-YADHBBJMSA-N 2 2 466.586 1.988 20 0 JDADLP CCC[N@H+](CC)CCn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001500784238 1069311302 /nfs/dbraw/zinc/31/13/02/1069311302.db2.gz QBIJSMGQAIZKBW-UHFFFAOYSA-N 2 2 456.639 1.760 20 0 JDADLP CCC[N@@H+](CC)CCn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001500784238 1069311316 /nfs/dbraw/zinc/31/13/16/1069311316.db2.gz QBIJSMGQAIZKBW-UHFFFAOYSA-N 2 2 456.639 1.760 20 0 JDADLP CCC[N@@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001500942877 1069335405 /nfs/dbraw/zinc/33/54/05/1069335405.db2.gz BEVVKUGRRDWNNB-OALUTQOASA-N 2 2 452.669 1.833 20 0 JDADLP CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001500942877 1069335415 /nfs/dbraw/zinc/33/54/15/1069335415.db2.gz BEVVKUGRRDWNNB-OALUTQOASA-N 2 2 452.669 1.833 20 0 JDADLP CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001500993877 1069348808 /nfs/dbraw/zinc/34/88/08/1069348808.db2.gz JOCBLAIUVSZUPO-QFIPXVFZSA-N 2 2 485.681 1.934 20 0 JDADLP CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001500993877 1069348831 /nfs/dbraw/zinc/34/88/31/1069348831.db2.gz JOCBLAIUVSZUPO-QFIPXVFZSA-N 2 2 485.681 1.934 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157530 1069377692 /nfs/dbraw/zinc/37/76/92/1069377692.db2.gz ZGFAKXIOHSZIIQ-UXHICEINSA-N 2 2 456.609 1.950 20 0 JDADLP CCOC(=O)c1cc(CS(=O)(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)on1 ZINC001475157530 1069377705 /nfs/dbraw/zinc/37/77/05/1069377705.db2.gz ZGFAKXIOHSZIIQ-UXHICEINSA-N 2 2 456.609 1.950 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCOC[C@@H]2C)CC1 ZINC001501774993 1069640153 /nfs/dbraw/zinc/64/01/53/1069640153.db2.gz NNVNFPZYUINOOS-VXKWHMMOSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCOC[C@@H]2C)CC1 ZINC001501774993 1069640191 /nfs/dbraw/zinc/64/01/91/1069640191.db2.gz NNVNFPZYUINOOS-VXKWHMMOSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001501774993 1069640223 /nfs/dbraw/zinc/64/02/23/1069640223.db2.gz NNVNFPZYUINOOS-VXKWHMMOSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001501774993 1069640230 /nfs/dbraw/zinc/64/02/30/1069640230.db2.gz NNVNFPZYUINOOS-VXKWHMMOSA-N 2 2 491.681 1.273 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501774949 1069641469 /nfs/dbraw/zinc/64/14/69/1069641469.db2.gz NKRXTJURGNJLSC-IBGZPJMESA-N 2 2 484.605 1.062 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501774949 1069641486 /nfs/dbraw/zinc/64/14/86/1069641486.db2.gz NKRXTJURGNJLSC-IBGZPJMESA-N 2 2 484.605 1.062 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001501783504 1069672982 /nfs/dbraw/zinc/67/29/82/1069672982.db2.gz LPSNPFQTDZWRMR-OAQYLSRUSA-N 2 2 485.681 1.789 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001501783504 1069673004 /nfs/dbraw/zinc/67/30/04/1069673004.db2.gz LPSNPFQTDZWRMR-OAQYLSRUSA-N 2 2 485.681 1.789 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501783537 1069674192 /nfs/dbraw/zinc/67/41/92/1069674192.db2.gz MTXQCHKTBBZQEZ-UHFFFAOYSA-N 2 2 498.676 1.486 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501783842 1069676800 /nfs/dbraw/zinc/67/68/00/1069676800.db2.gz QWQPCIYPKCCJPP-FQEVSTJZSA-N 2 2 456.639 1.758 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001501783842 1069676816 /nfs/dbraw/zinc/67/68/16/1069676816.db2.gz QWQPCIYPKCCJPP-FQEVSTJZSA-N 2 2 456.639 1.758 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501784043 1069678416 /nfs/dbraw/zinc/67/84/16/1069678416.db2.gz UMFYPDZBHCIYIE-LEWJYISDSA-N 2 2 483.665 1.846 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501784043 1069678445 /nfs/dbraw/zinc/67/84/45/1069678445.db2.gz UMFYPDZBHCIYIE-LEWJYISDSA-N 2 2 483.665 1.846 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001501906446 1069785648 /nfs/dbraw/zinc/78/56/48/1069785648.db2.gz DNYBIYQOKXFETJ-UHFFFAOYSA-N 2 2 475.682 1.722 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001501907550 1069794897 /nfs/dbraw/zinc/79/48/97/1069794897.db2.gz XHKUKOUZQIRFOX-UHFFFAOYSA-N 2 2 488.725 1.952 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001501907550 1069794924 /nfs/dbraw/zinc/79/49/24/1069794924.db2.gz XHKUKOUZQIRFOX-UHFFFAOYSA-N 2 2 488.725 1.952 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001501909450 1069797146 /nfs/dbraw/zinc/79/71/46/1069797146.db2.gz AQOAHKJCKFMGFV-NRFANRHFSA-N 2 2 475.682 1.722 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001501909450 1069797187 /nfs/dbraw/zinc/79/71/87/1069797187.db2.gz AQOAHKJCKFMGFV-NRFANRHFSA-N 2 2 475.682 1.722 20 0 JDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241384 1069806797 /nfs/dbraw/zinc/80/67/97/1069806797.db2.gz NSHBPAHKCMTZDE-QFIPXVFZSA-N 2 2 459.635 1.813 20 0 JDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC001477241384 1069806800 /nfs/dbraw/zinc/80/68/00/1069806800.db2.gz NSHBPAHKCMTZDE-QFIPXVFZSA-N 2 2 459.635 1.813 20 0 JDADLP C[NH+](C)C1(C)CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001477274824 1069809231 /nfs/dbraw/zinc/80/92/31/1069809231.db2.gz AHMTZIRQVRIWPE-UHFFFAOYSA-N 2 2 452.625 1.096 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001477670506 1069843495 /nfs/dbraw/zinc/84/34/95/1069843495.db2.gz SRUTUMAIDGZNDH-QHCPKHFHSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001477670506 1069843496 /nfs/dbraw/zinc/84/34/96/1069843496.db2.gz SRUTUMAIDGZNDH-QHCPKHFHSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001477670505 1069843617 /nfs/dbraw/zinc/84/36/17/1069843617.db2.gz SRUTUMAIDGZNDH-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC001477670505 1069843619 /nfs/dbraw/zinc/84/36/19/1069843619.db2.gz SRUTUMAIDGZNDH-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP CC[N@H+](CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)CCC(F)(F)F ZINC001502186575 1069848415 /nfs/dbraw/zinc/84/84/15/1069848415.db2.gz MPPDSQUZTGNZDW-UHFFFAOYSA-N 2 2 497.570 1.814 20 0 JDADLP CC[N@@H+](CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)CCC(F)(F)F ZINC001502186575 1069848419 /nfs/dbraw/zinc/84/84/19/1069848419.db2.gz MPPDSQUZTGNZDW-UHFFFAOYSA-N 2 2 497.570 1.814 20 0 JDADLP CC[N@H+](CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)CCC(F)(F)F ZINC001502186575 1069848422 /nfs/dbraw/zinc/84/84/22/1069848422.db2.gz MPPDSQUZTGNZDW-UHFFFAOYSA-N 2 2 497.570 1.814 20 0 JDADLP CC[N@@H+](CCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)CCC(F)(F)F ZINC001502186575 1069848423 /nfs/dbraw/zinc/84/84/23/1069848423.db2.gz MPPDSQUZTGNZDW-UHFFFAOYSA-N 2 2 497.570 1.814 20 0 JDADLP CN(C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC001477800255 1069859481 /nfs/dbraw/zinc/85/94/81/1069859481.db2.gz VPXJYVSFTRLGMA-UHFFFAOYSA-N 2 2 451.637 1.239 20 0 JDADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477813167 1069862424 /nfs/dbraw/zinc/86/24/24/1069862424.db2.gz RSMPWNPLIRQXOD-QFIPXVFZSA-N 2 2 458.651 1.293 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050123 1069892481 /nfs/dbraw/zinc/89/24/81/1069892481.db2.gz DJHNOFOYNOUWJY-HBMCJLEFSA-N 2 2 459.639 1.812 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050123 1069892482 /nfs/dbraw/zinc/89/24/82/1069892482.db2.gz DJHNOFOYNOUWJY-HBMCJLEFSA-N 2 2 459.639 1.812 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC001502244853 1069917958 /nfs/dbraw/zinc/91/79/58/1069917958.db2.gz LXZRSHAKRJPHAQ-IKGGRYGDSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@H]1C ZINC001502244853 1069917983 /nfs/dbraw/zinc/91/79/83/1069917983.db2.gz LXZRSHAKRJPHAQ-IKGGRYGDSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502258209 1069957173 /nfs/dbraw/zinc/95/71/73/1069957173.db2.gz VQZYBEOWAMKBTA-RZUBCFFCSA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC001502258209 1069957187 /nfs/dbraw/zinc/95/71/87/1069957187.db2.gz VQZYBEOWAMKBTA-RZUBCFFCSA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502258208 1069958651 /nfs/dbraw/zinc/95/86/51/1069958651.db2.gz VQZYBEOWAMKBTA-ONTIZHBOSA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502258208 1069958666 /nfs/dbraw/zinc/95/86/66/1069958666.db2.gz VQZYBEOWAMKBTA-ONTIZHBOSA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281697 1070014572 /nfs/dbraw/zinc/01/45/72/1070014572.db2.gz LQXNQHSWECXGAP-FUHWJXTLSA-N 2 2 496.707 1.460 20 0 JDADLP CC[N@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281697 1070014586 /nfs/dbraw/zinc/01/45/86/1070014586.db2.gz LQXNQHSWECXGAP-FUHWJXTLSA-N 2 2 496.707 1.460 20 0 JDADLP CC[N@@H+]1CCCC[C@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502301008 1070044986 /nfs/dbraw/zinc/04/49/86/1070044986.db2.gz UJFCZBFOEREZBY-URXFXBBRSA-N 2 2 464.655 1.962 20 0 JDADLP CC[N@H+]1CCCC[C@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502301008 1070044999 /nfs/dbraw/zinc/04/49/99/1070044999.db2.gz UJFCZBFOEREZBY-URXFXBBRSA-N 2 2 464.655 1.962 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001502309549 1070067338 /nfs/dbraw/zinc/06/73/38/1070067338.db2.gz HNRIDRJDSXODHZ-OAQYLSRUSA-N 2 2 462.687 1.418 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312545 1070084626 /nfs/dbraw/zinc/08/46/26/1070084626.db2.gz OELSZOYHJRQXNY-LEWJYISDSA-N 2 2 474.698 1.813 20 0 JDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134362 1070091788 /nfs/dbraw/zinc/09/17/88/1070091788.db2.gz VQXOYSQMXCXNGM-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C2)c1 ZINC001479134362 1070091804 /nfs/dbraw/zinc/09/18/04/1070091804.db2.gz VQXOYSQMXCXNGM-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134362 1070091822 /nfs/dbraw/zinc/09/18/22/1070091822.db2.gz VQXOYSQMXCXNGM-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1cccc(C[NH+]2CCO[C@@H](CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134362 1070091840 /nfs/dbraw/zinc/09/18/40/1070091840.db2.gz VQXOYSQMXCXNGM-ZEQRLZLVSA-N 2 2 459.635 1.292 20 0 JDADLP CC[NH+]1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001502314191 1070091899 /nfs/dbraw/zinc/09/18/99/1070091899.db2.gz QWVVMMKNDTVVKQ-AKFKNWHVSA-N 2 2 488.725 1.491 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001502315706 1070104243 /nfs/dbraw/zinc/10/42/43/1070104243.db2.gz TTYOEIPNXNZKAR-UXHICEINSA-N 2 2 488.706 1.826 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001502315706 1070104261 /nfs/dbraw/zinc/10/42/61/1070104261.db2.gz TTYOEIPNXNZKAR-UXHICEINSA-N 2 2 488.706 1.826 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001502315707 1070106182 /nfs/dbraw/zinc/10/61/82/1070106182.db2.gz TTYOEIPNXNZKAR-VQTJNVASSA-N 2 2 488.706 1.826 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC001502315707 1070106198 /nfs/dbraw/zinc/10/61/98/1070106198.db2.gz TTYOEIPNXNZKAR-VQTJNVASSA-N 2 2 488.706 1.826 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001502315708 1070106444 /nfs/dbraw/zinc/10/64/44/1070106444.db2.gz TTYOEIPNXNZKAR-WOJBJXKFSA-N 2 2 488.706 1.826 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001502315708 1070106475 /nfs/dbraw/zinc/10/64/75/1070106475.db2.gz TTYOEIPNXNZKAR-WOJBJXKFSA-N 2 2 488.706 1.826 20 0 JDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248390 1070111695 /nfs/dbraw/zinc/11/16/95/1070111695.db2.gz WQHHGEBSBCIKGT-UXHICEINSA-N 2 2 455.644 1.806 20 0 JDADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC001479248390 1070111721 /nfs/dbraw/zinc/11/17/21/1070111721.db2.gz WQHHGEBSBCIKGT-UXHICEINSA-N 2 2 455.644 1.806 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502317699 1070121819 /nfs/dbraw/zinc/12/18/19/1070121819.db2.gz LWYYXKMMKSSHCS-AABGKKOBSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502317699 1070121831 /nfs/dbraw/zinc/12/18/31/1070121831.db2.gz LWYYXKMMKSSHCS-AABGKKOBSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502317700 1070122043 /nfs/dbraw/zinc/12/20/43/1070122043.db2.gz LWYYXKMMKSSHCS-AQNXPRMDSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502317700 1070122057 /nfs/dbraw/zinc/12/20/57/1070122057.db2.gz LWYYXKMMKSSHCS-AQNXPRMDSA-N 2 2 461.655 1.932 20 0 JDADLP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502317700 1070122064 /nfs/dbraw/zinc/12/20/64/1070122064.db2.gz LWYYXKMMKSSHCS-AQNXPRMDSA-N 2 2 461.655 1.932 20 0 JDADLP CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502317700 1070122075 /nfs/dbraw/zinc/12/20/75/1070122075.db2.gz LWYYXKMMKSSHCS-AQNXPRMDSA-N 2 2 461.655 1.932 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001502318606 1070130444 /nfs/dbraw/zinc/13/04/44/1070130444.db2.gz CWNXRSVLEOKBCS-YKSBVNFPSA-N 2 2 464.655 1.960 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC001502318606 1070130451 /nfs/dbraw/zinc/13/04/51/1070130451.db2.gz CWNXRSVLEOKBCS-YKSBVNFPSA-N 2 2 464.655 1.960 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001502326967 1070148202 /nfs/dbraw/zinc/14/82/02/1070148202.db2.gz GJFMBWAIRBXUBM-MOPGFXCFSA-N 2 2 492.650 1.039 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001502326967 1070148210 /nfs/dbraw/zinc/14/82/10/1070148210.db2.gz GJFMBWAIRBXUBM-MOPGFXCFSA-N 2 2 492.650 1.039 20 0 JDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001479464692 1070150073 /nfs/dbraw/zinc/15/00/73/1070150073.db2.gz GOOHZUATALBBPQ-DSNGMDLFSA-N 2 2 452.599 1.989 20 0 JDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001479464692 1070150080 /nfs/dbraw/zinc/15/00/80/1070150080.db2.gz GOOHZUATALBBPQ-DSNGMDLFSA-N 2 2 452.599 1.989 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC001502331982 1070168290 /nfs/dbraw/zinc/16/82/90/1070168290.db2.gz AVNKPZCBLDZHBC-NRFANRHFSA-N 2 2 474.698 1.755 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332267 1070169337 /nfs/dbraw/zinc/16/93/37/1070169337.db2.gz HATGOYLCOKWXRT-SFTDATJTSA-N 2 2 460.671 1.364 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001502342946 1070231315 /nfs/dbraw/zinc/23/13/15/1070231315.db2.gz HCCJDLPPGRNVDZ-SFTDATJTSA-N 2 2 495.738 1.374 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345836 1070252212 /nfs/dbraw/zinc/25/22/12/1070252212.db2.gz GGFCJLBRNKGVHW-BHDDXSALSA-N 2 2 463.671 1.560 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345836 1070252233 /nfs/dbraw/zinc/25/22/33/1070252233.db2.gz GGFCJLBRNKGVHW-BHDDXSALSA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345836 1070252262 /nfs/dbraw/zinc/25/22/62/1070252262.db2.gz GGFCJLBRNKGVHW-BHDDXSALSA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345836 1070252278 /nfs/dbraw/zinc/25/22/78/1070252278.db2.gz GGFCJLBRNKGVHW-BHDDXSALSA-N 2 2 463.671 1.560 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345845 1070252315 /nfs/dbraw/zinc/25/23/15/1070252315.db2.gz GGFCJLBRNKGVHW-YPAWHYETSA-N 2 2 463.671 1.560 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345845 1070252330 /nfs/dbraw/zinc/25/23/30/1070252330.db2.gz GGFCJLBRNKGVHW-YPAWHYETSA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345845 1070252344 /nfs/dbraw/zinc/25/23/44/1070252344.db2.gz GGFCJLBRNKGVHW-YPAWHYETSA-N 2 2 463.671 1.560 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502345845 1070252368 /nfs/dbraw/zinc/25/23/68/1070252368.db2.gz GGFCJLBRNKGVHW-YPAWHYETSA-N 2 2 463.671 1.560 20 0 JDADLP CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC001493807664 1070353476 /nfs/dbraw/zinc/35/34/76/1070353476.db2.gz BUCKLDRGIPKQCY-XUZZJYLKSA-N 2 2 464.655 1.819 20 0 JDADLP CC(C)O[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001493807664 1070353497 /nfs/dbraw/zinc/35/34/97/1070353497.db2.gz BUCKLDRGIPKQCY-XUZZJYLKSA-N 2 2 464.655 1.819 20 0 JDADLP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494083136 1070386208 /nfs/dbraw/zinc/38/62/08/1070386208.db2.gz WHKRUWBPUFKAHK-FQEVSTJZSA-N 2 2 452.669 1.833 20 0 JDADLP CC(C)[N@H+]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494083136 1070386227 /nfs/dbraw/zinc/38/62/27/1070386227.db2.gz WHKRUWBPUFKAHK-FQEVSTJZSA-N 2 2 452.669 1.833 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663716 1070742649 /nfs/dbraw/zinc/74/26/49/1070742649.db2.gz CCOKOCDIRBECJJ-DCLXLUIPSA-N 2 2 477.654 1.013 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@H](C)[N@@H+](CC)C[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663716 1070742665 /nfs/dbraw/zinc/74/26/65/1070742665.db2.gz CCOKOCDIRBECJJ-DCLXLUIPSA-N 2 2 477.654 1.013 20 0 JDADLP CC[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC[NH+]1CCOCC1 ZINC001495275251 1070800712 /nfs/dbraw/zinc/80/07/12/1070800712.db2.gz LAKGRWUDAGGHFL-ONTIZHBOSA-N 2 2 461.655 1.503 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502714030 1070821332 /nfs/dbraw/zinc/82/13/32/1070821332.db2.gz GHQNFUDDSQMTHC-DEOSSOPVSA-N 2 2 477.654 1.015 20 0 JDADLP COc1cc(C[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC001504099175 1070832273 /nfs/dbraw/zinc/83/22/73/1070832273.db2.gz ALAHBZXMMZKHMD-SFHVURJKSA-N 2 2 473.622 1.706 20 0 JDADLP COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001504167688 1070861847 /nfs/dbraw/zinc/86/18/47/1070861847.db2.gz CQXNZZWNMGWCCE-UHFFFAOYSA-N 2 2 458.607 1.833 20 0 JDADLP COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001504167688 1070861849 /nfs/dbraw/zinc/86/18/49/1070861849.db2.gz CQXNZZWNMGWCCE-UHFFFAOYSA-N 2 2 458.607 1.833 20 0 JDADLP COc1ccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1 ZINC001504201730 1070882319 /nfs/dbraw/zinc/88/23/19/1070882319.db2.gz VMHBRMJIZTYBAF-IBGZPJMESA-N 2 2 455.607 1.648 20 0 JDADLP CCOCc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001503035885 1070997914 /nfs/dbraw/zinc/99/79/14/1070997914.db2.gz BWNNTSJTKOBJRI-BDTNDASRSA-N 2 2 464.655 1.718 20 0 JDADLP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCCn1cc[nH+]c1C ZINC001503036010 1070998492 /nfs/dbraw/zinc/99/84/92/1070998492.db2.gz XZGITBCCDUKOSJ-KNQAVFIVSA-N 2 2 472.638 1.789 20 0 JDADLP CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001503096069 1071038881 /nfs/dbraw/zinc/03/88/81/1071038881.db2.gz FVTWBIKUBZOHHP-RTWAWAEBSA-N 2 2 450.628 1.332 20 0 JDADLP CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503099380 1071045980 /nfs/dbraw/zinc/04/59/80/1071045980.db2.gz PSNOQZBRKAMVQP-FCHUYYIVSA-N 2 2 463.671 1.389 20 0 JDADLP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503109621 1071063849 /nfs/dbraw/zinc/06/38/49/1071063849.db2.gz MSYBVEAGCYHMGX-NHCUHLMSSA-N 2 2 463.671 1.530 20 0 JDADLP CCOCc1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001503109621 1071063858 /nfs/dbraw/zinc/06/38/58/1071063858.db2.gz MSYBVEAGCYHMGX-NHCUHLMSSA-N 2 2 463.671 1.530 20 0 JDADLP COc1ccccc1Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001504412991 1071163576 /nfs/dbraw/zinc/16/35/76/1071163576.db2.gz OVBBTKBVMKKGRQ-RTWAWAEBSA-N 2 2 483.661 1.961 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503218491 1071170149 /nfs/dbraw/zinc/17/01/49/1071170149.db2.gz CPCWVGBIHUNUSI-JOCHJYFZSA-N 2 2 459.639 1.799 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001503218630 1071170523 /nfs/dbraw/zinc/17/05/23/1071170523.db2.gz FGKIARWYQCWHGT-HXUWFJFHSA-N 2 2 458.607 1.833 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001503218630 1071170530 /nfs/dbraw/zinc/17/05/30/1071170530.db2.gz FGKIARWYQCWHGT-HXUWFJFHSA-N 2 2 458.607 1.833 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223096 1071186349 /nfs/dbraw/zinc/18/63/49/1071186349.db2.gz LOCMLTDQCMTUAH-SFTDATJTSA-N 2 2 450.628 1.299 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1CC ZINC001503223595 1071189273 /nfs/dbraw/zinc/18/92/73/1071189273.db2.gz NQLBPGNOXKQVNK-PKTZIBPZSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1CC ZINC001503223595 1071189290 /nfs/dbraw/zinc/18/92/90/1071189290.db2.gz NQLBPGNOXKQVNK-PKTZIBPZSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223966 1071190524 /nfs/dbraw/zinc/19/05/24/1071190524.db2.gz RGWCMVSKCOEFCX-NHCUHLMSSA-N 2 2 450.628 1.297 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503448646 1071767520 /nfs/dbraw/zinc/76/75/20/1071767520.db2.gz GZMBMCQUTOBTSO-FQEVSTJZSA-N 2 2 464.655 1.687 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001503448646 1071767538 /nfs/dbraw/zinc/76/75/38/1071767538.db2.gz GZMBMCQUTOBTSO-FQEVSTJZSA-N 2 2 464.655 1.687 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001504904399 1071843207 /nfs/dbraw/zinc/84/32/07/1071843207.db2.gz OAYCNJWDRNWHHL-HXUWFJFHSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001504904399 1071843213 /nfs/dbraw/zinc/84/32/13/1071843213.db2.gz OAYCNJWDRNWHHL-HXUWFJFHSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001504904399 1071843215 /nfs/dbraw/zinc/84/32/15/1071843215.db2.gz OAYCNJWDRNWHHL-HXUWFJFHSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC001504904399 1071843219 /nfs/dbraw/zinc/84/32/19/1071843219.db2.gz OAYCNJWDRNWHHL-HXUWFJFHSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001504904755 1071844949 /nfs/dbraw/zinc/84/49/49/1071844949.db2.gz QEYHFDTZEOSLBK-PKOBYXMFSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001504904755 1071844952 /nfs/dbraw/zinc/84/49/52/1071844952.db2.gz QEYHFDTZEOSLBK-PKOBYXMFSA-N 2 2 463.652 1.938 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001504909566 1071861574 /nfs/dbraw/zinc/86/15/74/1071861574.db2.gz BFDHCLXBPXAQAY-UHFFFAOYSA-N 2 2 488.633 1.842 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001504909566 1071861577 /nfs/dbraw/zinc/86/15/77/1071861577.db2.gz BFDHCLXBPXAQAY-UHFFFAOYSA-N 2 2 488.633 1.842 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001504909699 1071861982 /nfs/dbraw/zinc/86/19/82/1071861982.db2.gz DKUIIFKUJAODRD-UHFFFAOYSA-N 2 2 488.633 1.842 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001504910730 1071865234 /nfs/dbraw/zinc/86/52/34/1071865234.db2.gz LQKPMVIQERFOJH-UHFFFAOYSA-N 2 2 474.631 1.379 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001504910730 1071865236 /nfs/dbraw/zinc/86/52/36/1071865236.db2.gz LQKPMVIQERFOJH-UHFFFAOYSA-N 2 2 474.631 1.379 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001504911870 1071868797 /nfs/dbraw/zinc/86/87/97/1071868797.db2.gz DRRNIIUMDYOQQE-LJQANCHMSA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001504911870 1071868798 /nfs/dbraw/zinc/86/87/98/1071868798.db2.gz DRRNIIUMDYOQQE-LJQANCHMSA-N 2 2 490.052 1.920 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504914184 1071874362 /nfs/dbraw/zinc/87/43/62/1071874362.db2.gz RLUPIZXLEHNCRX-VQTJNVASSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504914184 1071874366 /nfs/dbraw/zinc/87/43/66/1071874366.db2.gz RLUPIZXLEHNCRX-VQTJNVASSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504920246 1071892093 /nfs/dbraw/zinc/89/20/93/1071892093.db2.gz PKBCRCHEMXHBMX-YPAWHYETSA-N 2 2 464.655 1.686 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504920246 1071892097 /nfs/dbraw/zinc/89/20/97/1071892097.db2.gz PKBCRCHEMXHBMX-YPAWHYETSA-N 2 2 464.655 1.686 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504923663 1071904070 /nfs/dbraw/zinc/90/40/70/1071904070.db2.gz TVLCSGFSDQXONC-UXHICEINSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504923663 1071904076 /nfs/dbraw/zinc/90/40/76/1071904076.db2.gz TVLCSGFSDQXONC-UXHICEINSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001504925505 1071913903 /nfs/dbraw/zinc/91/39/03/1071913903.db2.gz DJOGVITVFADODG-UHFFFAOYSA-N 2 2 476.597 1.875 20 0 JDADLP COCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001504925505 1071913916 /nfs/dbraw/zinc/91/39/16/1071913916.db2.gz DJOGVITVFADODG-UHFFFAOYSA-N 2 2 476.597 1.875 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCCC[NH+]1CCOCC1 ZINC001503622596 1071920688 /nfs/dbraw/zinc/92/06/88/1071920688.db2.gz LKPGBVVLMWYWNR-HXUWFJFHSA-N 2 2 450.628 1.441 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1CCCC[NH+]1CCOCC1 ZINC001503622596 1071920696 /nfs/dbraw/zinc/92/06/96/1071920696.db2.gz LKPGBVVLMWYWNR-HXUWFJFHSA-N 2 2 450.628 1.441 20 0 JDADLP COCCO[C@H](C)c1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCn1cc[nH+]c1C ZINC001504945374 1071988590 /nfs/dbraw/zinc/98/85/90/1071988590.db2.gz NKFPTPDIWVVNBH-JQVVWYNYSA-N 2 2 488.637 1.196 20 0 JDADLP COCCO[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCn1cc[nH+]c1C ZINC001504945385 1071988740 /nfs/dbraw/zinc/98/87/40/1071988740.db2.gz NKFPTPDIWVVNBH-WOIUINJBSA-N 2 2 488.637 1.196 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504960921 1072005805 /nfs/dbraw/zinc/00/58/05/1072005805.db2.gz BMMXZNSAFRPUIV-PWRODBHTSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504960921 1072005815 /nfs/dbraw/zinc/00/58/15/1072005815.db2.gz BMMXZNSAFRPUIV-PWRODBHTSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001504986826 1072038474 /nfs/dbraw/zinc/03/84/74/1072038474.db2.gz GDSTUWALUNCMBM-NZQKXSOJSA-N 2 2 482.695 1.740 20 0 JDADLP COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH+]1CCC(C)CC1 ZINC001505064434 1072166305 /nfs/dbraw/zinc/16/63/05/1072166305.db2.gz SMSRAVFADCSXON-SFTDATJTSA-N 2 2 450.628 1.502 20 0 JDADLP CN(C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464843677 1067672561 /nfs/dbraw/zinc/67/25/61/1067672561.db2.gz IADRHQNKAKBBQV-FQEVSTJZSA-N 2 2 452.640 1.687 20 0 JDADLP CN(C(=O)c1cccc(Oc2cnccn2)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464845148 1067673282 /nfs/dbraw/zinc/67/32/82/1067673282.db2.gz OBUCBLUOCHFZSG-UHFFFAOYSA-N 2 2 452.559 1.579 20 0 JDADLP CN(C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464846516 1067673876 /nfs/dbraw/zinc/67/38/76/1067673876.db2.gz QUIAQSYQVZSKGE-FQEVSTJZSA-N 2 2 457.402 1.724 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000396 1067724860 /nfs/dbraw/zinc/72/48/60/1067724860.db2.gz FCVFMRIKVUHIPR-QZTJIDSGSA-N 2 2 454.662 1.742 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000396 1067724867 /nfs/dbraw/zinc/72/48/67/1067724867.db2.gz FCVFMRIKVUHIPR-QZTJIDSGSA-N 2 2 454.662 1.742 20 0 JDADLP CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc(C(C)C)nc21 ZINC001465005008 1067726563 /nfs/dbraw/zinc/72/65/63/1067726563.db2.gz SNTJEJOTLLUFHN-MRXNPFEDSA-N 2 2 456.591 1.929 20 0 JDADLP CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc(C(C)C)nc21 ZINC001465005008 1067726571 /nfs/dbraw/zinc/72/65/71/1067726571.db2.gz SNTJEJOTLLUFHN-MRXNPFEDSA-N 2 2 456.591 1.929 20 0 JDADLP CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465024095 1067729771 /nfs/dbraw/zinc/72/97/71/1067729771.db2.gz XGTTXJWGUXSDSP-RTBURBONSA-N 2 2 451.637 1.607 20 0 JDADLP CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465024095 1067729781 /nfs/dbraw/zinc/72/97/81/1067729781.db2.gz XGTTXJWGUXSDSP-RTBURBONSA-N 2 2 451.637 1.607 20 0 JDADLP CC(C)[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001465350959 1067785675 /nfs/dbraw/zinc/78/56/75/1067785675.db2.gz WSTUUPOXUWZAMZ-SJBKTWHCSA-N 2 2 452.640 1.197 20 0 JDADLP CC(C)[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC001467664026 1068047886 /nfs/dbraw/zinc/04/78/86/1068047886.db2.gz AXYPGKPEPRUBSI-NRFANRHFSA-N 2 2 459.639 1.901 20 0 JDADLP CC(C)[C@H](CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[NH+]1CCC(C)CC1 ZINC001467664026 1068047895 /nfs/dbraw/zinc/04/78/95/1068047895.db2.gz AXYPGKPEPRUBSI-NRFANRHFSA-N 2 2 459.639 1.901 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)CC2)CC1 ZINC001467818410 1068069951 /nfs/dbraw/zinc/06/99/51/1068069951.db2.gz IANHJNSLMRCHKN-UHFFFAOYSA-N 2 2 451.637 1.437 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(CS(=O)(=O)NC)cc3)CC2)CC1 ZINC001467818410 1068069967 /nfs/dbraw/zinc/06/99/67/1068069967.db2.gz IANHJNSLMRCHKN-UHFFFAOYSA-N 2 2 451.637 1.437 20 0 JDADLP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H](Cc3ccccc3)C[NH+]3CCOCC3)cn2)CC1 ZINC001467906937 1068091717 /nfs/dbraw/zinc/09/17/17/1068091717.db2.gz KILJSEANGKDUAI-HSZRJFAPSA-N 2 2 452.603 1.576 20 0 JDADLP C[N@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)Cc1ccccc1 ZINC001468231714 1068210592 /nfs/dbraw/zinc/21/05/92/1068210592.db2.gz UXOLZCKJEGNUFG-NRFANRHFSA-N 2 2 453.591 1.713 20 0 JDADLP C[N@@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)Cc1ccccc1 ZINC001468231714 1068210637 /nfs/dbraw/zinc/21/06/37/1068210637.db2.gz UXOLZCKJEGNUFG-NRFANRHFSA-N 2 2 453.591 1.713 20 0 JDADLP C[N@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Cc1ccccc1 ZINC001468231714 1068210688 /nfs/dbraw/zinc/21/06/88/1068210688.db2.gz UXOLZCKJEGNUFG-NRFANRHFSA-N 2 2 453.591 1.713 20 0 JDADLP C[N@@H+](CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)Cc1ccccc1 ZINC001468231714 1068210715 /nfs/dbraw/zinc/21/07/15/1068210715.db2.gz UXOLZCKJEGNUFG-NRFANRHFSA-N 2 2 453.591 1.713 20 0 JDADLP C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001468410931 1068272620 /nfs/dbraw/zinc/27/26/20/1068272620.db2.gz LIOLNOIBPCZIPM-SFHVURJKSA-N 2 2 451.637 1.601 20 0 JDADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863665 1068382114 /nfs/dbraw/zinc/38/21/14/1068382114.db2.gz SNVWMUUMSXJQOY-YSIASYRMSA-N 2 2 451.999 1.598 20 0 JDADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863665 1068382131 /nfs/dbraw/zinc/38/21/31/1068382131.db2.gz SNVWMUUMSXJQOY-YSIASYRMSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863665 1068382133 /nfs/dbraw/zinc/38/21/33/1068382133.db2.gz SNVWMUUMSXJQOY-YSIASYRMSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863665 1068382164 /nfs/dbraw/zinc/38/21/64/1068382164.db2.gz SNVWMUUMSXJQOY-YSIASYRMSA-N 2 2 451.999 1.598 20 0 JDADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863664 1068382534 /nfs/dbraw/zinc/38/25/34/1068382534.db2.gz SNVWMUUMSXJQOY-IHPCNDPISA-N 2 2 451.999 1.598 20 0 JDADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863664 1068382554 /nfs/dbraw/zinc/38/25/54/1068382554.db2.gz SNVWMUUMSXJQOY-IHPCNDPISA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863664 1068382571 /nfs/dbraw/zinc/38/25/71/1068382571.db2.gz SNVWMUUMSXJQOY-IHPCNDPISA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@@H](NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863664 1068382589 /nfs/dbraw/zinc/38/25/89/1068382589.db2.gz SNVWMUUMSXJQOY-IHPCNDPISA-N 2 2 451.999 1.598 20 0 JDADLP COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC001468871491 1068384538 /nfs/dbraw/zinc/38/45/38/1068384538.db2.gz BLVRPLCBJIIODS-LJQANCHMSA-N 2 2 459.591 1.340 20 0 JDADLP COc1cc(OC)cc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC001468871491 1068384559 /nfs/dbraw/zinc/38/45/59/1068384559.db2.gz BLVRPLCBJIIODS-LJQANCHMSA-N 2 2 459.591 1.340 20 0 JDADLP CN(C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001469025268 1068428672 /nfs/dbraw/zinc/42/86/72/1068428672.db2.gz HWCRNYGMIWRBEN-NJDAHSKKSA-N 2 2 459.639 1.894 20 0 JDADLP CN(C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001469025268 1068428712 /nfs/dbraw/zinc/42/87/12/1068428712.db2.gz HWCRNYGMIWRBEN-NJDAHSKKSA-N 2 2 459.639 1.894 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001469130192 1068448584 /nfs/dbraw/zinc/44/85/84/1068448584.db2.gz UBVPAVFBMVYKPM-UHFFFAOYSA-N 2 2 454.612 1.903 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001469130192 1068448590 /nfs/dbraw/zinc/44/85/90/1068448590.db2.gz UBVPAVFBMVYKPM-UHFFFAOYSA-N 2 2 454.612 1.903 20 0 JDADLP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001471322856 1068854136 /nfs/dbraw/zinc/85/41/36/1068854136.db2.gz QYEZWLCZTZEIPG-LJQANCHMSA-N 2 2 453.628 1.729 20 0 JDADLP C[NH+]1CCN(CCC(C)(C)NC(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001471323353 1068854454 /nfs/dbraw/zinc/85/44/54/1068854454.db2.gz YGJXOAQYTNNLIT-UHFFFAOYSA-N 2 2 454.660 1.691 20 0 JDADLP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC001499642660 1069023640 /nfs/dbraw/zinc/02/36/40/1069023640.db2.gz PYIQTACIZSDOAT-AQNXPRMDSA-N 2 2 473.622 1.859 20 0 JDADLP COC(=O)c1cnc(N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1C(F)(F)F ZINC001472688285 1069042946 /nfs/dbraw/zinc/04/29/46/1069042946.db2.gz SNRICWCXDRLKJB-UHFFFAOYSA-N 2 2 457.497 1.562 20 0 JDADLP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC001499712179 1069046472 /nfs/dbraw/zinc/04/64/72/1069046472.db2.gz SLSSIIJDTDGRBN-GMAHTHKFSA-N 2 2 470.666 1.913 20 0 JDADLP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC[N@H+]1CCOC ZINC001499712179 1069046489 /nfs/dbraw/zinc/04/64/89/1069046489.db2.gz SLSSIIJDTDGRBN-GMAHTHKFSA-N 2 2 470.666 1.913 20 0 JDADLP CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC001473107096 1069072277 /nfs/dbraw/zinc/07/22/77/1069072277.db2.gz HQISTEBHOHFLAU-UHFFFAOYSA-N 2 2 452.621 1.700 20 0 JDADLP CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001499766888 1069078891 /nfs/dbraw/zinc/07/88/91/1069078891.db2.gz VUSMLIAZIUCKNB-JOCHJYFZSA-N 2 2 489.690 1.642 20 0 JDADLP CC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001499766888 1069078895 /nfs/dbraw/zinc/07/88/95/1069078895.db2.gz VUSMLIAZIUCKNB-JOCHJYFZSA-N 2 2 489.690 1.642 20 0 JDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N(C)CC(=O)Nc3ccc(C)cc3)CC2)CC1 ZINC001473163796 1069086947 /nfs/dbraw/zinc/08/69/47/1069086947.db2.gz QBDGDXWWWGYMNS-UHFFFAOYSA-N 2 2 457.619 1.658 20 0 JDADLP 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ZINC001164424101 718915138 /nfs/dbraw/zinc/91/51/38/718915138.db2.gz LCYPSZCHEMMKDM-SANMLTNESA-N 2 2 465.598 1.625 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@@H]3[NH2+]C[C@H]31)nc2N1CCOCC1 ZINC001164447113 718999602 /nfs/dbraw/zinc/99/96/02/718999602.db2.gz AWOZQHSXEOCSDE-KAGYGMCKSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@@H]3[NH2+]C[C@H]31)nc2N1CCOCC1 ZINC001164447113 718999610 /nfs/dbraw/zinc/99/96/10/718999610.db2.gz AWOZQHSXEOCSDE-KAGYGMCKSA-N 2 2 499.685 1.375 20 0 JDADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164615188 719015934 /nfs/dbraw/zinc/01/59/34/719015934.db2.gz HGMYXDKZDVCEDC-PUHATCMVSA-N 2 2 463.582 1.769 20 0 JDADLP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164629125 719059624 /nfs/dbraw/zinc/05/96/24/719059624.db2.gz VUBDBTZHHYIPJZ-FCHUYYIVSA-N 2 2 465.602 1.646 20 0 JDADLP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)[C@@H]3C2)cc1 ZINC001164629125 719059627 /nfs/dbraw/zinc/05/96/27/719059627.db2.gz VUBDBTZHHYIPJZ-FCHUYYIVSA-N 2 2 465.602 1.646 20 0 JDADLP CN(C)C(=O)CN1CC[C@]2(CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2c2ccccc2)C1=O ZINC001164629745 719143168 /nfs/dbraw/zinc/14/31/68/719143168.db2.gz DGDKQCRUQWFPMG-WXVAWEFUSA-N 2 2 476.625 1.744 20 0 JDADLP CN(C)C(=O)CN1CC[C@@]2(CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2c2ccccc2)C1=O ZINC001164629743 719143404 /nfs/dbraw/zinc/14/34/04/719143404.db2.gz DGDKQCRUQWFPMG-AMGIVPHBSA-N 2 2 476.625 1.744 20 0 JDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633162 719228658 /nfs/dbraw/zinc/22/86/58/719228658.db2.gz DGXKKIGNZMZRKB-ROUUACIJSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633162 719228662 /nfs/dbraw/zinc/22/86/62/719228662.db2.gz DGXKKIGNZMZRKB-ROUUACIJSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633162 719228667 /nfs/dbraw/zinc/22/86/67/719228667.db2.gz DGXKKIGNZMZRKB-ROUUACIJSA-N 2 2 459.664 1.804 20 0 JDADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001164633162 719228670 /nfs/dbraw/zinc/22/86/70/719228670.db2.gz DGXKKIGNZMZRKB-ROUUACIJSA-N 2 2 459.664 1.804 20 0 JDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)CC2 ZINC001164690250 719736113 /nfs/dbraw/zinc/73/61/13/719736113.db2.gz WURBQNGOEAUPCI-UHFFFAOYSA-N 2 2 468.583 1.849 20 0 JDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(ccn3S(=O)(=O)c3ccccc3)c[nH+]1)CC2 ZINC001164690250 719736117 /nfs/dbraw/zinc/73/61/17/719736117.db2.gz WURBQNGOEAUPCI-UHFFFAOYSA-N 2 2 468.583 1.849 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[C@@H](C(=O)NCCc5ccccn5)O[C@H]4C3)[nH+]2)CC1 ZINC001164702692 719819259 /nfs/dbraw/zinc/81/92/59/719819259.db2.gz SXJNPRHAUDYZMI-HJNYFJLDSA-N 2 2 450.587 1.571 20 0 JDADLP COc1cc2cc[nH+]c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2cc1OC ZINC001164708859 719911532 /nfs/dbraw/zinc/91/15/32/719911532.db2.gz KRLLAGCZUKFGIG-UHFFFAOYSA-N 2 2 450.543 1.936 20 0 JDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(OCC3CC[NH2+]CC3)cn1)CC2 ZINC001164709558 719937182 /nfs/dbraw/zinc/93/71/82/719937182.db2.gz ADDNLLZFFPISEB-UHFFFAOYSA-N 2 2 453.591 1.144 20 0 JDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(OCC[NH+]3CCCC3)n1)C2 ZINC001164830226 720466169 /nfs/dbraw/zinc/46/61/69/720466169.db2.gz JNAKMFNPNSIWPY-NRFANRHFSA-N 2 2 470.618 1.742 20 0 JDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164830663 720467501 /nfs/dbraw/zinc/46/75/01/720467501.db2.gz KQCLIEIRPMBIDI-IBGZPJMESA-N 3 2 455.607 1.195 20 0 JDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164834072 720480000 /nfs/dbraw/zinc/48/00/00/720480000.db2.gz RHLNVULLPYVQKE-HXUWFJFHSA-N 3 2 470.618 1.741 20 0 JDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(OCC3CC[NH2+]CC3)cn1)C2 ZINC001164835078 720482586 /nfs/dbraw/zinc/48/25/86/720482586.db2.gz WLPIIZZILIWXGZ-OAQYLSRUSA-N 2 2 470.618 1.646 20 0 JDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@@H]2C1 ZINC001164862934 720871707 /nfs/dbraw/zinc/87/17/07/720871707.db2.gz SBSODPQOTOIYSV-TZIWHRDSSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(ccn4S(=O)(=O)c4ccccc4)c[nH+]3)CC[C@@H]2C1 ZINC001164862934 720871708 /nfs/dbraw/zinc/87/17/08/720871708.db2.gz SBSODPQOTOIYSV-TZIWHRDSSA-N 2 2 471.583 1.842 20 0 JDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164859854 720883294 /nfs/dbraw/zinc/88/32/94/720883294.db2.gz MWUSEMABLRCJQL-GMAHTHKFSA-N 2 2 452.603 1.977 20 0 JDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@H]2C1 ZINC001164859854 720883295 /nfs/dbraw/zinc/88/32/95/720883295.db2.gz MWUSEMABLRCJQL-GMAHTHKFSA-N 2 2 452.603 1.977 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]cnc3c1ccn3S(=O)(=O)c1ccccc1)CC2 ZINC001164748823 720951681 /nfs/dbraw/zinc/95/16/81/720951681.db2.gz DFWIHQCIKLDDIL-UHFFFAOYSA-N 2 2 495.565 1.510 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCN(c4ccccc4F)CC3)[nH+]cn1)CC2 ZINC001164754774 720964705 /nfs/dbraw/zinc/96/47/05/720964705.db2.gz XQYKBAVMRZBEMN-UHFFFAOYSA-N 2 2 494.575 1.784 20 0 JDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCN(c4ccccc4F)CC3)nc[nH+]1)CC2 ZINC001164754774 720964714 /nfs/dbraw/zinc/96/47/14/720964714.db2.gz XQYKBAVMRZBEMN-UHFFFAOYSA-N 2 2 494.575 1.784 20 0 JDADLP c1cncc(CO[C@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872083 721139012 /nfs/dbraw/zinc/13/90/12/721139012.db2.gz GKFAPKIOXXIAMH-SFTDATJTSA-N 2 2 450.591 1.947 20 0 JDADLP c1cncc(CO[C@H]2C[C@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872083 721139017 /nfs/dbraw/zinc/13/90/17/721139017.db2.gz GKFAPKIOXXIAMH-SFTDATJTSA-N 2 2 450.591 1.947 20 0 JDADLP O=S1(=O)Cc2cn(-c3ncccc3C[NH+]3CCCC3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@H]21 ZINC001164793639 721475900 /nfs/dbraw/zinc/47/59/00/721475900.db2.gz WZIRVWXHYMIXHW-WOJBJXKFSA-N 2 2 454.600 1.158 20 0 JDADLP Cc1cccc(CN2CCO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@H]3C2=O)n1 ZINC001164797993 721602844 /nfs/dbraw/zinc/60/28/44/721602844.db2.gz DUHYTURONHKVBG-FGZHOGPDSA-N 2 2 450.587 1.791 20 0 JDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2 ZINC001165016539 721765980 /nfs/dbraw/zinc/76/59/80/721765980.db2.gz XKLSRBWUUZDJGG-UHFFFAOYSA-N 2 2 464.574 1.479 20 0 JDADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164915741 721798646 /nfs/dbraw/zinc/79/86/46/721798646.db2.gz ZDOQUBGUDWFXJC-XMMPIXPASA-N 2 2 454.575 1.358 20 0 JDADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CCO3)C2)c1 ZINC001164915741 721798651 /nfs/dbraw/zinc/79/86/51/721798651.db2.gz ZDOQUBGUDWFXJC-XMMPIXPASA-N 2 2 454.575 1.358 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC001165028583 721856195 /nfs/dbraw/zinc/85/61/95/721856195.db2.gz NRVOMFKUDSDOJI-RXVVDRJESA-N 2 2 455.559 1.985 20 0 JDADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCOCC4)[nH+]c(N4CCOCC4)n2)CC3)c1 ZINC001164955767 722013188 /nfs/dbraw/zinc/01/31/88/722013188.db2.gz YWSNBMUENFQWIJ-UHFFFAOYSA-N 2 2 480.617 1.432 20 0 JDADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCOCC4)[nH+]c(N4CCOCC4)n2)CC3)c1 ZINC001164955767 722013191 /nfs/dbraw/zinc/01/31/91/722013191.db2.gz YWSNBMUENFQWIJ-UHFFFAOYSA-N 2 2 480.617 1.432 20 0 JDADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCOCC4)nc(N4CCOCC4)[nH+]2)CC3)c1 ZINC001164955767 722013193 /nfs/dbraw/zinc/01/31/93/722013193.db2.gz YWSNBMUENFQWIJ-UHFFFAOYSA-N 2 2 480.617 1.432 20 0 JDADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCOCC4)nc(N4CCOCC4)[nH+]2)CC3)c1 ZINC001164955767 722013197 /nfs/dbraw/zinc/01/31/97/722013197.db2.gz YWSNBMUENFQWIJ-UHFFFAOYSA-N 2 2 480.617 1.432 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C[NH2+]1 ZINC001164967059 722072238 /nfs/dbraw/zinc/07/22/38/722072238.db2.gz GSCAPZGRGVOXKR-IWQHBPENSA-N 2 2 483.569 1.220 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C[NH2+]1 ZINC001164967059 722072240 /nfs/dbraw/zinc/07/22/40/722072240.db2.gz GSCAPZGRGVOXKR-IWQHBPENSA-N 2 2 483.569 1.220 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C[NH2+]1 ZINC001164967062 722072346 /nfs/dbraw/zinc/07/23/46/722072346.db2.gz GSCAPZGRGVOXKR-VWNVYAMZSA-N 2 2 483.569 1.220 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C[NH2+]1 ZINC001164967062 722072347 /nfs/dbraw/zinc/07/23/47/722072347.db2.gz GSCAPZGRGVOXKR-VWNVYAMZSA-N 2 2 483.569 1.220 20 0 JDADLP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001500965368 1069342107 /nfs/dbraw/zinc/34/21/07/1069342107.db2.gz ABEOMWUDFKSAMU-RDPSFJRHSA-N 2 2 464.655 1.962 20 0 JDADLP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001500965364 1069342426 /nfs/dbraw/zinc/34/24/26/1069342426.db2.gz ABEOMWUDFKSAMU-GBXCKJPGSA-N 2 2 464.655 1.962 20 0 JDADLP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001501040847 1069368533 /nfs/dbraw/zinc/36/85/33/1069368533.db2.gz QQQPOEZTWIYLDC-OALUTQOASA-N 2 2 494.666 1.381 20 0 JDADLP CCC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001501040847 1069368551 /nfs/dbraw/zinc/36/85/51/1069368551.db2.gz QQQPOEZTWIYLDC-OALUTQOASA-N 2 2 494.666 1.381 20 0 JDADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156861 1069378010 /nfs/dbraw/zinc/37/80/10/1069378010.db2.gz OFPKWWFNEVHQMH-FCHUYYIVSA-N 2 2 454.681 1.986 20 0 JDADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 ZINC001475156861 1069378021 /nfs/dbraw/zinc/37/80/21/1069378021.db2.gz OFPKWWFNEVHQMH-FCHUYYIVSA-N 2 2 454.681 1.986 20 0 JDADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)cc1 ZINC001476109558 1069603232 /nfs/dbraw/zinc/60/32/32/1069603232.db2.gz IQQXVECVEAKZEG-UHFFFAOYSA-N 2 2 459.639 1.046 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001501774629 1069637518 /nfs/dbraw/zinc/63/75/18/1069637518.db2.gz KEZOQZJFACOSTL-FQEVSTJZSA-N 2 2 461.655 1.504 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C3CC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001501774629 1069637543 /nfs/dbraw/zinc/63/75/43/1069637543.db2.gz KEZOQZJFACOSTL-FQEVSTJZSA-N 2 2 461.655 1.504 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001501783300 1069671061 /nfs/dbraw/zinc/67/10/61/1069671061.db2.gz IGWKMCIHZVWFJU-UHFFFAOYSA-N 2 2 498.676 1.566 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001501783680 1069674871 /nfs/dbraw/zinc/67/48/71/1069674871.db2.gz OJNFDDXIJAGIOV-OAQYLSRUSA-N 2 2 483.665 1.990 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001501783824 1069676111 /nfs/dbraw/zinc/67/61/11/1069676111.db2.gz QQCYKGHBOHVJEA-NRFANRHFSA-N 2 2 454.623 1.671 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501783724 1069676747 /nfs/dbraw/zinc/67/67/47/1069676747.db2.gz PFNBFGYPRQGEQE-DEOSSOPVSA-N 2 2 486.690 1.768 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501784060 1069679927 /nfs/dbraw/zinc/67/99/27/1069679927.db2.gz VHWUXDIXSMBNPB-UHFFFAOYSA-N 2 2 484.649 1.177 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501784046 1069680033 /nfs/dbraw/zinc/68/00/33/1069680033.db2.gz UMFYPDZBHCIYIE-SFTDATJTSA-N 2 2 483.665 1.846 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001501784046 1069680062 /nfs/dbraw/zinc/68/00/62/1069680062.db2.gz UMFYPDZBHCIYIE-SFTDATJTSA-N 2 2 483.665 1.846 20 0 JDADLP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001501799737 1069725794 /nfs/dbraw/zinc/72/57/94/1069725794.db2.gz XXLPLTBQJSYBDY-OALUTQOASA-N 2 2 456.639 1.803 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC001501901385 1069766437 /nfs/dbraw/zinc/76/64/37/1069766437.db2.gz NLUDFSQXIALOMT-FQEVSTJZSA-N 2 2 498.680 1.893 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CC1 ZINC001501901359 1069766576 /nfs/dbraw/zinc/76/65/76/1069766576.db2.gz MXHCERQHMSUWKH-DEOSSOPVSA-N 2 2 483.661 1.959 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501909892 1069800032 /nfs/dbraw/zinc/80/00/32/1069800032.db2.gz JGGCRVFQUDIJBD-UHFFFAOYSA-N 2 2 495.632 1.582 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001501979247 1069810590 /nfs/dbraw/zinc/81/05/90/1069810590.db2.gz IQOVLPVSMNARBF-QZTJIDSGSA-N 2 2 455.611 1.255 20 0 JDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393850 1069818847 /nfs/dbraw/zinc/81/88/47/1069818847.db2.gz LKKKMCFPANQJLH-XMMPIXPASA-N 2 2 458.651 1.030 20 0 JDADLP C[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393850 1069818849 /nfs/dbraw/zinc/81/88/49/1069818849.db2.gz LKKKMCFPANQJLH-XMMPIXPASA-N 2 2 458.651 1.030 20 0 JDADLP CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393850 1069818850 /nfs/dbraw/zinc/81/88/50/1069818850.db2.gz LKKKMCFPANQJLH-XMMPIXPASA-N 2 2 458.651 1.030 20 0 JDADLP CN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001477393850 1069818861 /nfs/dbraw/zinc/81/88/61/1069818861.db2.gz LKKKMCFPANQJLH-XMMPIXPASA-N 2 2 458.651 1.030 20 0 JDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001477413743 1069821494 /nfs/dbraw/zinc/82/14/94/1069821494.db2.gz ZLZNVDRSHBDEMH-FQEVSTJZSA-N 2 2 452.607 1.238 20 0 JDADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC001477413748 1069821649 /nfs/dbraw/zinc/82/16/49/1069821649.db2.gz ZOFOOCKBBZGKFE-QHCPKHFHSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)C2)c1 ZINC001477413748 1069821652 /nfs/dbraw/zinc/82/16/52/1069821652.db2.gz ZOFOOCKBBZGKFE-QHCPKHFHSA-N 2 2 452.603 1.842 20 0 JDADLP COc1ccccc1[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC001477469046 1069825299 /nfs/dbraw/zinc/82/52/99/1069825299.db2.gz RXKKKIOSZMYYSC-FQEVSTJZSA-N 2 2 452.621 1.640 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001477628467 1069839662 /nfs/dbraw/zinc/83/96/62/1069839662.db2.gz FJCCFRBPXROWDZ-DHIUTWEWSA-N 2 2 457.619 1.905 20 0 JDADLP CN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001477628467 1069839663 /nfs/dbraw/zinc/83/96/63/1069839663.db2.gz FJCCFRBPXROWDZ-DHIUTWEWSA-N 2 2 457.619 1.905 20 0 JDADLP CC[N@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502185806 1069847006 /nfs/dbraw/zinc/84/70/06/1069847006.db2.gz PZYRVYWODIIAAY-QGZVFWFLSA-N 2 2 496.538 1.721 20 0 JDADLP CC[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502185806 1069847009 /nfs/dbraw/zinc/84/70/09/1069847009.db2.gz PZYRVYWODIIAAY-QGZVFWFLSA-N 2 2 496.538 1.721 20 0 JDADLP CC[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502185806 1069847018 /nfs/dbraw/zinc/84/70/18/1069847018.db2.gz PZYRVYWODIIAAY-QGZVFWFLSA-N 2 2 496.538 1.721 20 0 JDADLP CC[NH+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[N@H+]2CCOC[C@H]2C1)CCC(F)(F)F ZINC001502185806 1069847027 /nfs/dbraw/zinc/84/70/27/1069847027.db2.gz PZYRVYWODIIAAY-QGZVFWFLSA-N 2 2 496.538 1.721 20 0 JDADLP CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001502194924 1069850654 /nfs/dbraw/zinc/85/06/54/1069850654.db2.gz YERZJUPWQKNDQK-FQEVSTJZSA-N 2 2 471.654 1.542 20 0 JDADLP CC[N@@H+](CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001502194924 1069850659 /nfs/dbraw/zinc/85/06/59/1069850659.db2.gz YERZJUPWQKNDQK-FQEVSTJZSA-N 2 2 471.654 1.542 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4C)cc2)CC1 ZINC001477756100 1069853952 /nfs/dbraw/zinc/85/39/52/1069853952.db2.gz NGFBWNMNQLFQII-ZEQRLZLVSA-N 2 2 457.619 1.650 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2)CC1 ZINC001477756100 1069853954 /nfs/dbraw/zinc/85/39/54/1069853954.db2.gz NGFBWNMNQLFQII-ZEQRLZLVSA-N 2 2 457.619 1.650 20 0 JDADLP CC[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001502199579 1069854979 /nfs/dbraw/zinc/85/49/79/1069854979.db2.gz OGZLTBZRBVDJCT-UXHICEINSA-N 2 2 468.668 1.069 20 0 JDADLP CC[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC001502199579 1069854982 /nfs/dbraw/zinc/85/49/82/1069854982.db2.gz OGZLTBZRBVDJCT-UXHICEINSA-N 2 2 468.668 1.069 20 0 JDADLP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844528 1069867512 /nfs/dbraw/zinc/86/75/12/1069867512.db2.gz VOBRYLXRTHHOKF-XMMPIXPASA-N 2 2 452.640 1.715 20 0 JDADLP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1([NH+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844528 1069867517 /nfs/dbraw/zinc/86/75/17/1069867517.db2.gz VOBRYLXRTHHOKF-XMMPIXPASA-N 2 2 452.640 1.715 20 0 JDADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844528 1069867521 /nfs/dbraw/zinc/86/75/21/1069867521.db2.gz VOBRYLXRTHHOKF-XMMPIXPASA-N 2 2 452.640 1.715 20 0 JDADLP C[NH+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001477844528 1069867522 /nfs/dbraw/zinc/86/75/22/1069867522.db2.gz VOBRYLXRTHHOKF-XMMPIXPASA-N 2 2 452.640 1.715 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050125 1069892363 /nfs/dbraw/zinc/89/23/63/1069892363.db2.gz DJHNOFOYNOUWJY-PWRODBHTSA-N 2 2 459.639 1.812 20 0 JDADLP Cc1cc(N2CC[C@H](NC(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)C2=O)n(C)n1 ZINC001478050125 1069892366 /nfs/dbraw/zinc/89/23/66/1069892366.db2.gz DJHNOFOYNOUWJY-PWRODBHTSA-N 2 2 459.639 1.812 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC001502244855 1069918970 /nfs/dbraw/zinc/91/89/70/1069918970.db2.gz LXZRSHAKRJPHAQ-ULQDDVLXSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)C[C@@H]1C ZINC001502244855 1069918997 /nfs/dbraw/zinc/91/89/97/1069918997.db2.gz LXZRSHAKRJPHAQ-ULQDDVLXSA-N 2 2 464.640 1.317 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502258207 1069957095 /nfs/dbraw/zinc/95/70/95/1069957095.db2.gz VQZYBEOWAMKBTA-JAXLGGSGSA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC001502258207 1069957118 /nfs/dbraw/zinc/95/71/18/1069957118.db2.gz VQZYBEOWAMKBTA-JAXLGGSGSA-N 2 2 495.738 1.373 20 0 JDADLP CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281699 1070014831 /nfs/dbraw/zinc/01/48/31/1070014831.db2.gz LQXNQHSWECXGAP-WMZOPIPTSA-N 2 2 496.707 1.460 20 0 JDADLP CC[N@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC001502281699 1070014844 /nfs/dbraw/zinc/01/48/44/1070014844.db2.gz LQXNQHSWECXGAP-WMZOPIPTSA-N 2 2 496.707 1.460 20 0 JDADLP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001478640489 1070034968 /nfs/dbraw/zinc/03/49/68/1070034968.db2.gz BJXGJCNQVBTNDG-JTHBVZDNSA-N 2 2 458.651 1.291 20 0 JDADLP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1CN(C)CC[N@H+]1C ZINC001478640489 1070034986 /nfs/dbraw/zinc/03/49/86/1070034986.db2.gz BJXGJCNQVBTNDG-JTHBVZDNSA-N 2 2 458.651 1.291 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)CC2)CC1 ZINC001478682901 1070040369 /nfs/dbraw/zinc/04/03/69/1070040369.db2.gz NOZGYPRWQOARMJ-UHFFFAOYSA-N 2 2 451.637 1.639 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3cccc(S(=O)(=O)N(C)C)c3)CC2)CC1 ZINC001478682901 1070040393 /nfs/dbraw/zinc/04/03/93/1070040393.db2.gz NOZGYPRWQOARMJ-UHFFFAOYSA-N 2 2 451.637 1.639 20 0 JDADLP CC[N@@H+]1CCCC[C@@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502301010 1070045419 /nfs/dbraw/zinc/04/54/19/1070045419.db2.gz UJFCZBFOEREZBY-ZJSXRUAMSA-N 2 2 464.655 1.962 20 0 JDADLP CC[N@H+]1CCCC[C@@H]1Cn1c(N(C)CC[NH+]2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502301010 1070045432 /nfs/dbraw/zinc/04/54/32/1070045432.db2.gz UJFCZBFOEREZBY-ZJSXRUAMSA-N 2 2 464.655 1.962 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312548 1070084401 /nfs/dbraw/zinc/08/44/01/1070084401.db2.gz OELSZOYHJRQXNY-SFTDATJTSA-N 2 2 474.698 1.813 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315176 1070098629 /nfs/dbraw/zinc/09/86/29/1070098629.db2.gz IILRLHVDOLNGTB-YADHBBJMSA-N 2 2 470.666 1.447 20 0 JDADLP CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315176 1070098653 /nfs/dbraw/zinc/09/86/53/1070098653.db2.gz IILRLHVDOLNGTB-YADHBBJMSA-N 2 2 470.666 1.447 20 0 JDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177980 1070099886 /nfs/dbraw/zinc/09/98/86/1070099886.db2.gz NSXRWIFIQDPVAH-JTHBVZDNSA-N 2 2 459.635 1.880 20 0 JDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177980 1070099901 /nfs/dbraw/zinc/09/99/01/1070099901.db2.gz NSXRWIFIQDPVAH-JTHBVZDNSA-N 2 2 459.635 1.880 20 0 JDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177978 1070100524 /nfs/dbraw/zinc/10/05/24/1070100524.db2.gz NSXRWIFIQDPVAH-GMAHTHKFSA-N 2 2 459.635 1.880 20 0 JDADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177978 1070100536 /nfs/dbraw/zinc/10/05/36/1070100536.db2.gz NSXRWIFIQDPVAH-GMAHTHKFSA-N 2 2 459.635 1.880 20 0 JDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001479203539 1070105013 /nfs/dbraw/zinc/10/50/13/1070105013.db2.gz DISUSIWFGGHNQQ-LJQANCHMSA-N 2 2 455.644 1.975 20 0 JDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001479203539 1070105024 /nfs/dbraw/zinc/10/50/24/1070105024.db2.gz DISUSIWFGGHNQQ-LJQANCHMSA-N 2 2 455.644 1.975 20 0 JDADLP CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001502332506 1070171429 /nfs/dbraw/zinc/17/14/29/1070171429.db2.gz MBRWHHQFUYTPKF-NRFANRHFSA-N 2 2 460.671 1.509 20 0 JDADLP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccco3)[NH+](C)C)C2)CC1 ZINC001502332069 1070169544 /nfs/dbraw/zinc/16/95/44/1070169544.db2.gz CJTGAIAIGGWMSW-VQTJNVASSA-N 2 2 472.638 1.528 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343767 1070242935 /nfs/dbraw/zinc/24/29/35/1070242935.db2.gz UGLNGOVHXDGJMX-BDTNDASRSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343767 1070242976 /nfs/dbraw/zinc/24/29/76/1070242976.db2.gz UGLNGOVHXDGJMX-BDTNDASRSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502345428 1070250929 /nfs/dbraw/zinc/25/09/29/1070250929.db2.gz BFTGKHXFGDNMMG-OAQYLSRUSA-N 2 2 460.671 1.205 20 0 JDADLP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC001502349243 1070266047 /nfs/dbraw/zinc/26/60/47/1070266047.db2.gz QXXFHZSUVPVRRF-LADGPHEKSA-N 2 2 488.725 1.808 20 0 JDADLP CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001495275253 1070800699 /nfs/dbraw/zinc/80/06/99/1070800699.db2.gz LAKGRWUDAGGHFL-TUNNFDKTSA-N 2 2 461.655 1.503 20 0 JDADLP CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCC[NH+]1CCOCC1 ZINC001495275249 1070800606 /nfs/dbraw/zinc/80/06/06/1070800606.db2.gz LAKGRWUDAGGHFL-JAXLGGSGSA-N 2 2 461.655 1.503 20 0 JDADLP CC[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791980 1070820635 /nfs/dbraw/zinc/82/06/35/1070820635.db2.gz OUVXKEXCKUDIFC-PMACEKPBSA-N 2 2 461.655 1.645 20 0 JDADLP CC[C@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791980 1070820636 /nfs/dbraw/zinc/82/06/36/1070820636.db2.gz OUVXKEXCKUDIFC-PMACEKPBSA-N 2 2 461.655 1.645 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2CC[N@@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726413 1070837220 /nfs/dbraw/zinc/83/72/20/1070837220.db2.gz VGLSIFMPFNBESP-RDPSFJRHSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2CC[N@H+]2CCOC(C)(C)C2)CCOC1 ZINC001502726413 1070837221 /nfs/dbraw/zinc/83/72/21/1070837221.db2.gz VGLSIFMPFNBESP-RDPSFJRHSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726413 1070837223 /nfs/dbraw/zinc/83/72/23/1070837223.db2.gz VGLSIFMPFNBESP-RDPSFJRHSA-N 2 2 480.654 1.198 20 0 JDADLP CCO[C@@]1(c2nnc(N3CC[N@@H+](CCOC)[C@@H](C)C3)n2CC[NH+]2CCOC(C)(C)C2)CCOC1 ZINC001502726413 1070837225 /nfs/dbraw/zinc/83/72/25/1070837225.db2.gz VGLSIFMPFNBESP-RDPSFJRHSA-N 2 2 480.654 1.198 20 0 JDADLP COc1ccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCn2cc[nH+]c2C)c(OC)c1 ZINC001504168204 1070862482 /nfs/dbraw/zinc/86/24/82/1070862482.db2.gz UAQGTJIURITTQJ-UHFFFAOYSA-N 2 2 455.563 1.936 20 0 JDADLP CCOC1CC(Cn2c(C(C)C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC001502937455 1070893429 /nfs/dbraw/zinc/89/34/29/1070893429.db2.gz DGCGETASIHZIEI-MFMCRYCZSA-N 2 2 464.655 1.828 20 0 JDADLP CCOC1CC(Cn2c(C(C)C)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC001502937455 1070893432 /nfs/dbraw/zinc/89/34/32/1070893432.db2.gz DGCGETASIHZIEI-MFMCRYCZSA-N 2 2 464.655 1.828 20 0 JDADLP CCOCc1nnc(N(C)CC[NH+]2CCOCC2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001503019971 1070970847 /nfs/dbraw/zinc/97/08/47/1070970847.db2.gz JGFUMPDXZNCCTA-UHFFFAOYSA-N 2 2 450.628 1.618 20 0 JDADLP CCOCc1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1cc[nH+]c1C ZINC001503034333 1070991089 /nfs/dbraw/zinc/99/10/89/1070991089.db2.gz PSSTWVINDYWCLB-GHTZIAJQSA-N 2 2 458.611 1.399 20 0 JDADLP CCOCc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCCn1cc[nH+]c1C ZINC001503036003 1070999086 /nfs/dbraw/zinc/99/90/86/1070999086.db2.gz XZGITBCCDUKOSJ-DENIHFKCSA-N 2 2 472.638 1.789 20 0 JDADLP CCOCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060909 1071016761 /nfs/dbraw/zinc/01/67/61/1071016761.db2.gz LAXKFJPLAWJZQQ-VXKWHMMOSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001503060909 1071016782 /nfs/dbraw/zinc/01/67/82/1071016782.db2.gz LAXKFJPLAWJZQQ-VXKWHMMOSA-N 2 2 463.671 1.388 20 0 JDADLP CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503093399 1071036477 /nfs/dbraw/zinc/03/64/77/1071036477.db2.gz GTGYRYCOBHWTIS-QFIPXVFZSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001503093399 1071036492 /nfs/dbraw/zinc/03/64/92/1071036492.db2.gz GTGYRYCOBHWTIS-QFIPXVFZSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001503093939 1071037409 /nfs/dbraw/zinc/03/74/09/1071037409.db2.gz NJANVNIEIWOMRT-UHFFFAOYSA-N 2 2 477.654 1.060 20 0 JDADLP CCOCc1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001503093939 1071037417 /nfs/dbraw/zinc/03/74/17/1071037417.db2.gz NJANVNIEIWOMRT-UHFFFAOYSA-N 2 2 477.654 1.060 20 0 JDADLP CCOCc1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503093939 1071037426 /nfs/dbraw/zinc/03/74/26/1071037426.db2.gz NJANVNIEIWOMRT-UHFFFAOYSA-N 2 2 477.654 1.060 20 0 JDADLP CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001503093939 1071037435 /nfs/dbraw/zinc/03/74/35/1071037435.db2.gz NJANVNIEIWOMRT-UHFFFAOYSA-N 2 2 477.654 1.060 20 0 JDADLP COc1cccc([C@H](Cn2c(-c3cnccn3)nnc2N(C)CC[NH+]2CCOCC2)[NH+](C)C)c1 ZINC001504325253 1071060681 /nfs/dbraw/zinc/06/06/81/1071060681.db2.gz PJNZTOSCOJCCFX-QFIPXVFZSA-N 2 2 466.590 1.815 20 0 JDADLP CCOCc1nnc(N2CC[NH+](Cc3cnc(C)s3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001503112996 1071071926 /nfs/dbraw/zinc/07/19/26/1071071926.db2.gz JBLZNVFDZURZTE-GOSISDBHSA-N 2 2 463.652 1.870 20 0 JDADLP CCOCc1nnc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001503114014 1071074564 /nfs/dbraw/zinc/07/45/64/1071074564.db2.gz QVAASFGLXMFFOO-PMACEKPBSA-N 2 2 488.681 1.986 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503218493 1071171153 /nfs/dbraw/zinc/17/11/53/1071171153.db2.gz CPCWVGBIHUNUSI-QFIPXVFZSA-N 2 2 459.639 1.799 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001503223093 1071186137 /nfs/dbraw/zinc/18/61/37/1071186137.db2.gz LOCMLTDQCMTUAH-LEWJYISDSA-N 2 2 450.628 1.299 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1CC ZINC001503223594 1071188380 /nfs/dbraw/zinc/18/83/80/1071188380.db2.gz NQLBPGNOXKQVNK-GOTSBHOMSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1CC ZINC001503223594 1071188410 /nfs/dbraw/zinc/18/84/10/1071188410.db2.gz NQLBPGNOXKQVNK-GOTSBHOMSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503224468 1071192085 /nfs/dbraw/zinc/19/20/85/1071192085.db2.gz BVRCJFFUUVXUTB-QHAWAJNXSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503224468 1071192112 /nfs/dbraw/zinc/19/21/12/1071192112.db2.gz BVRCJFFUUVXUTB-QHAWAJNXSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1CC ZINC001503223596 1071189680 /nfs/dbraw/zinc/18/96/80/1071189680.db2.gz NQLBPGNOXKQVNK-XZOQPEGZSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1CC ZINC001503223596 1071189689 /nfs/dbraw/zinc/18/96/89/1071189689.db2.gz NQLBPGNOXKQVNK-XZOQPEGZSA-N 2 2 491.681 1.273 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503224468 1071192128 /nfs/dbraw/zinc/19/21/28/1071192128.db2.gz BVRCJFFUUVXUTB-QHAWAJNXSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503224468 1071192138 /nfs/dbraw/zinc/19/21/38/1071192138.db2.gz BVRCJFFUUVXUTB-QHAWAJNXSA-N 2 2 450.628 1.787 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504454665 1071226860 /nfs/dbraw/zinc/22/68/60/1071226860.db2.gz SKVBFAJQAMZACY-RXVVDRJESA-N 2 2 498.632 1.247 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504454665 1071226871 /nfs/dbraw/zinc/22/68/71/1071226871.db2.gz SKVBFAJQAMZACY-RXVVDRJESA-N 2 2 498.632 1.247 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504454664 1071227307 /nfs/dbraw/zinc/22/73/07/1071227307.db2.gz SKVBFAJQAMZACY-NQIIRXRSSA-N 2 2 498.632 1.247 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504454664 1071227325 /nfs/dbraw/zinc/22/73/25/1071227325.db2.gz SKVBFAJQAMZACY-NQIIRXRSSA-N 2 2 498.632 1.247 20 0 JDADLP COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001504455055 1071228918 /nfs/dbraw/zinc/22/89/18/1071228918.db2.gz WAHFWWCOMQWSAE-MRXNPFEDSA-N 2 2 463.608 1.405 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1CC[NH+]1CCSCC1 ZINC001503448500 1071767758 /nfs/dbraw/zinc/76/77/58/1071767758.db2.gz FOTXHLIABYIXNZ-GOSISDBHSA-N 2 2 465.668 1.073 20 0 JDADLP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001504857314 1071774727 /nfs/dbraw/zinc/77/47/27/1071774727.db2.gz JSZAXJFVLLJWIZ-OAQYLSRUSA-N 2 2 482.695 1.461 20 0 JDADLP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC001504857314 1071774751 /nfs/dbraw/zinc/77/47/51/1071774751.db2.gz JSZAXJFVLLJWIZ-OAQYLSRUSA-N 2 2 482.695 1.461 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001504904394 1071843190 /nfs/dbraw/zinc/84/31/90/1071843190.db2.gz OAYCNJWDRNWHHL-FQEVSTJZSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001504904394 1071843193 /nfs/dbraw/zinc/84/31/93/1071843193.db2.gz OAYCNJWDRNWHHL-FQEVSTJZSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001504904394 1071843196 /nfs/dbraw/zinc/84/31/96/1071843196.db2.gz OAYCNJWDRNWHHL-FQEVSTJZSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC001504904394 1071843200 /nfs/dbraw/zinc/84/32/00/1071843200.db2.gz OAYCNJWDRNWHHL-FQEVSTJZSA-N 2 2 469.634 1.632 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC[NH+]2CCOCC2)C[C@@H]1C ZINC001504909297 1071860278 /nfs/dbraw/zinc/86/02/78/1071860278.db2.gz BZYQCLPFJXWMRL-KRWDZBQOSA-N 2 2 496.454 1.915 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504911249 1071867036 /nfs/dbraw/zinc/86/70/36/1071867036.db2.gz UGFIHAUEKIPAPI-IMSXRSKXSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504911249 1071867040 /nfs/dbraw/zinc/86/70/40/1071867040.db2.gz UGFIHAUEKIPAPI-IMSXRSKXSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504911249 1071867045 /nfs/dbraw/zinc/86/70/45/1071867045.db2.gz UGFIHAUEKIPAPI-IMSXRSKXSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504911249 1071867048 /nfs/dbraw/zinc/86/70/48/1071867048.db2.gz UGFIHAUEKIPAPI-IMSXRSKXSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001504911749 1071868823 /nfs/dbraw/zinc/86/88/23/1071868823.db2.gz XKPYRVAFSPOXRR-MRXNPFEDSA-N 2 2 482.427 1.525 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001504911749 1071868826 /nfs/dbraw/zinc/86/88/26/1071868826.db2.gz XKPYRVAFSPOXRR-MRXNPFEDSA-N 2 2 482.427 1.525 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001504911667 1071868855 /nfs/dbraw/zinc/86/88/55/1071868855.db2.gz XKPYRVAFSPOXRR-INIZCTEOSA-N 2 2 482.427 1.525 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001504911667 1071868859 /nfs/dbraw/zinc/86/88/59/1071868859.db2.gz XKPYRVAFSPOXRR-INIZCTEOSA-N 2 2 482.427 1.525 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001504914574 1071874927 /nfs/dbraw/zinc/87/49/27/1071874927.db2.gz DLOQGWMJDVHXRL-UHFFFAOYSA-N 2 2 458.607 1.833 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001504914574 1071874930 /nfs/dbraw/zinc/87/49/30/1071874930.db2.gz DLOQGWMJDVHXRL-UHFFFAOYSA-N 2 2 458.607 1.833 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504923664 1071904165 /nfs/dbraw/zinc/90/41/65/1071904165.db2.gz TVLCSGFSDQXONC-VQTJNVASSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504923664 1071904178 /nfs/dbraw/zinc/90/41/78/1071904178.db2.gz TVLCSGFSDQXONC-VQTJNVASSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[NH+]1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001504925250 1071912478 /nfs/dbraw/zinc/91/24/78/1071912478.db2.gz CDKQOVAQHZJRDK-UHFFFAOYSA-N 2 2 476.597 1.875 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001504925682 1071914937 /nfs/dbraw/zinc/91/49/37/1071914937.db2.gz KLAKGPIGZBRTGQ-IBGZPJMESA-N 2 2 475.663 1.251 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001504925682 1071914951 /nfs/dbraw/zinc/91/49/51/1071914951.db2.gz KLAKGPIGZBRTGQ-IBGZPJMESA-N 2 2 475.663 1.251 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001503623350 1071927260 /nfs/dbraw/zinc/92/72/60/1071927260.db2.gz TVAQJVDNAVJYSJ-FQEVSTJZSA-N 2 2 450.628 1.441 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001503623395 1071927783 /nfs/dbraw/zinc/92/77/83/1071927783.db2.gz UAPWBYCGZBHAID-UHFFFAOYSA-N 2 2 484.693 1.837 20 0 JDADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001503623395 1071927791 /nfs/dbraw/zinc/92/77/91/1071927791.db2.gz UAPWBYCGZBHAID-UHFFFAOYSA-N 2 2 484.693 1.837 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503623395 1071927798 /nfs/dbraw/zinc/92/77/98/1071927798.db2.gz UAPWBYCGZBHAID-UHFFFAOYSA-N 2 2 484.693 1.837 20 0 JDADLP CN(CC[NH+]1CCOC(C)(C)C1)c1nnc(Cc2ccncc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001503623395 1071927807 /nfs/dbraw/zinc/92/78/07/1071927807.db2.gz UAPWBYCGZBHAID-UHFFFAOYSA-N 2 2 484.693 1.837 20 0 JDADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc([C@H]2CCCOC2)n1CCC[NH+]1CCOCC1 ZINC001503623350 1071927251 /nfs/dbraw/zinc/92/72/51/1071927251.db2.gz TVAQJVDNAVJYSJ-FQEVSTJZSA-N 2 2 450.628 1.441 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001504986835 1072038897 /nfs/dbraw/zinc/03/88/97/1072038897.db2.gz GDSTUWALUNCMBM-REWPJTCUSA-N 2 2 482.695 1.740 20 0 JDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1nc(Br)c(Br)n1 ZINC001464879546 1067682574 /nfs/dbraw/zinc/68/25/74/1067682574.db2.gz JAXTZCAPMNVJJG-UHFFFAOYSA-N 2 2 452.195 1.288 20 0 JDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1nc(Br)c(Br)n1 ZINC001464879546 1067682584 /nfs/dbraw/zinc/68/25/84/1067682584.db2.gz JAXTZCAPMNVJJG-UHFFFAOYSA-N 2 2 452.195 1.288 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)CC1 ZINC001465000373 1067724226 /nfs/dbraw/zinc/72/42/26/1067724226.db2.gz FAYKNMQMUCPRJJ-UYAOXDASSA-N 2 2 450.605 1.042 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)C2)CC1 ZINC001465000373 1067724240 /nfs/dbraw/zinc/72/42/40/1067724240.db2.gz FAYKNMQMUCPRJJ-UYAOXDASSA-N 2 2 450.605 1.042 20 0 JDADLP Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001465001940 1067725601 /nfs/dbraw/zinc/72/56/01/1067725601.db2.gz LZOBOXSHDRMZQD-OAHLLOKOSA-N 2 2 453.513 1.977 20 0 JDADLP Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001465001940 1067725611 /nfs/dbraw/zinc/72/56/11/1067725611.db2.gz LZOBOXSHDRMZQD-OAHLLOKOSA-N 2 2 453.513 1.977 20 0 JDADLP CN(CCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001465021604 1067729255 /nfs/dbraw/zinc/72/92/55/1067729255.db2.gz OTYKTENMSBINOM-HXUWFJFHSA-N 2 2 454.612 1.853 20 0 JDADLP CN(CCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001465021604 1067729263 /nfs/dbraw/zinc/72/92/63/1067729263.db2.gz OTYKTENMSBINOM-HXUWFJFHSA-N 2 2 454.612 1.853 20 0 JDADLP CC(C)[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001465350958 1067785860 /nfs/dbraw/zinc/78/58/60/1067785860.db2.gz WSTUUPOXUWZAMZ-RZUBCFFCSA-N 2 2 452.640 1.197 20 0 JDADLP CC(C)[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001465350958 1067785870 /nfs/dbraw/zinc/78/58/70/1067785870.db2.gz WSTUUPOXUWZAMZ-RZUBCFFCSA-N 2 2 452.640 1.197 20 0 JDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cc(OC)c1 ZINC001465741820 1067825140 /nfs/dbraw/zinc/82/51/40/1067825140.db2.gz RCSWVJHVYVVLKL-IBGZPJMESA-N 2 2 458.563 1.629 20 0 JDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cc(OC)c1 ZINC001465741820 1067825142 /nfs/dbraw/zinc/82/51/42/1067825142.db2.gz RCSWVJHVYVVLKL-IBGZPJMESA-N 2 2 458.563 1.629 20 0 JDADLP C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001467580542 1068031164 /nfs/dbraw/zinc/03/11/64/1068031164.db2.gz VHVCHYPSCTZHIY-LJQANCHMSA-N 2 2 453.628 1.872 20 0 JDADLP C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001467580542 1068031187 /nfs/dbraw/zinc/03/11/87/1068031187.db2.gz VHVCHYPSCTZHIY-LJQANCHMSA-N 2 2 453.628 1.872 20 0 JDADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001467882889 1068084455 /nfs/dbraw/zinc/08/44/55/1068084455.db2.gz VFRJTSHQIJVBJB-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)C2)cc1 ZINC001467882889 1068084470 /nfs/dbraw/zinc/08/44/70/1068084470.db2.gz VFRJTSHQIJVBJB-HSZRJFAPSA-N 2 2 452.603 1.842 20 0 JDADLP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](Cc3ccccc3)C[NH+]3CCOCC3)cn2)CC1 ZINC001467906938 1068091933 /nfs/dbraw/zinc/09/19/33/1068091933.db2.gz KILJSEANGKDUAI-QHCPKHFHSA-N 2 2 452.603 1.576 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)CC1 ZINC001467917236 1068094037 /nfs/dbraw/zinc/09/40/37/1068094037.db2.gz PSNGYIRLINUDSQ-UHFFFAOYSA-N 2 2 451.637 1.308 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)CC1 ZINC001467917236 1068094058 /nfs/dbraw/zinc/09/40/58/1068094058.db2.gz PSNGYIRLINUDSQ-UHFFFAOYSA-N 2 2 451.637 1.308 20 0 JDADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001467952754 1068112816 /nfs/dbraw/zinc/11/28/16/1068112816.db2.gz MLNHBDXSSDOWAL-OAQYLSRUSA-N 2 2 453.591 1.571 20 0 JDADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC001467952754 1068112959 /nfs/dbraw/zinc/11/29/59/1068112959.db2.gz MLNHBDXSSDOWAL-OAQYLSRUSA-N 2 2 453.591 1.571 20 0 JDADLP O=C(CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363972 1068256633 /nfs/dbraw/zinc/25/66/33/1068256633.db2.gz VCNSJRVFPREEPO-JOCHJYFZSA-N 2 2 450.587 1.942 20 0 JDADLP O=C(CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC001468363972 1068256681 /nfs/dbraw/zinc/25/66/81/1068256681.db2.gz VCNSJRVFPREEPO-JOCHJYFZSA-N 2 2 450.587 1.942 20 0 JDADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863663 1068382712 /nfs/dbraw/zinc/38/27/12/1068382712.db2.gz SNVWMUUMSXJQOY-HOJAQTOUSA-N 2 2 451.999 1.598 20 0 JDADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863663 1068382727 /nfs/dbraw/zinc/38/27/27/1068382727.db2.gz SNVWMUUMSXJQOY-HOJAQTOUSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863663 1068382737 /nfs/dbraw/zinc/38/27/37/1068382737.db2.gz SNVWMUUMSXJQOY-HOJAQTOUSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863663 1068382752 /nfs/dbraw/zinc/38/27/52/1068382752.db2.gz SNVWMUUMSXJQOY-HOJAQTOUSA-N 2 2 451.999 1.598 20 0 JDADLP CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001468874109 1068385423 /nfs/dbraw/zinc/38/54/23/1068385423.db2.gz YFWJQXQBLGETBY-GOSISDBHSA-N 2 2 452.621 1.669 20 0 JDADLP CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001468874109 1068385440 /nfs/dbraw/zinc/38/54/40/1068385440.db2.gz YFWJQXQBLGETBY-GOSISDBHSA-N 2 2 452.621 1.669 20 0 JDADLP COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)c1 ZINC001468874094 1068385613 /nfs/dbraw/zinc/38/56/13/1068385613.db2.gz XZHUWTFPSZHBPQ-JTSKRJEESA-N 2 2 459.591 1.619 20 0 JDADLP COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)c1 ZINC001468874094 1068385625 /nfs/dbraw/zinc/38/56/25/1068385625.db2.gz XZHUWTFPSZHBPQ-JTSKRJEESA-N 2 2 459.591 1.619 20 0 JDADLP COC(=O)[C@]1(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001469625253 1068557896 /nfs/dbraw/zinc/55/78/96/1068557896.db2.gz RPIBWFOGYFCSEB-VWLOTQADSA-N 2 2 451.571 1.771 20 0 JDADLP COC(=O)[C@]1(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001469625253 1068557913 /nfs/dbraw/zinc/55/79/13/1068557913.db2.gz RPIBWFOGYFCSEB-VWLOTQADSA-N 2 2 451.571 1.771 20 0 JDADLP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783645 1068588929 /nfs/dbraw/zinc/58/89/29/1068588929.db2.gz SYROTUQNENIJET-VQTJNVASSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783645 1068588945 /nfs/dbraw/zinc/58/89/45/1068588945.db2.gz SYROTUQNENIJET-VQTJNVASSA-N 2 2 453.628 1.824 20 0 JDADLP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001470326615 1068745882 /nfs/dbraw/zinc/74/58/82/1068745882.db2.gz DWUGNHHCONGLNE-UHFFFAOYSA-N 2 2 458.010 1.581 20 0 JDADLP CC(=O)N[C@@](C)(C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ccc(S(C)(=O)=O)cc1 ZINC001471050291 1068832203 /nfs/dbraw/zinc/83/22/03/1068832203.db2.gz KXMLUGXSNFQDRY-JOCHJYFZSA-N 2 2 459.572 1.227 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123874 1068837529 /nfs/dbraw/zinc/83/75/29/1068837529.db2.gz BNFOACKVVLAIAW-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123874 1068837531 /nfs/dbraw/zinc/83/75/31/1068837531.db2.gz BNFOACKVVLAIAW-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001471123874 1068837534 /nfs/dbraw/zinc/83/75/34/1068837534.db2.gz BNFOACKVVLAIAW-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001471123874 1068837537 /nfs/dbraw/zinc/83/75/37/1068837537.db2.gz BNFOACKVVLAIAW-RPWUZVMVSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123873 1068837554 /nfs/dbraw/zinc/83/75/54/1068837554.db2.gz BNFOACKVVLAIAW-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123873 1068837556 /nfs/dbraw/zinc/83/75/56/1068837556.db2.gz BNFOACKVVLAIAW-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001471123873 1068837559 /nfs/dbraw/zinc/83/75/59/1068837559.db2.gz BNFOACKVVLAIAW-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001471123873 1068837560 /nfs/dbraw/zinc/83/75/60/1068837560.db2.gz BNFOACKVVLAIAW-DNQXCXABSA-N 2 2 459.635 1.292 20 0 JDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC001471365668 1068857542 /nfs/dbraw/zinc/85/75/42/1068857542.db2.gz KBFYHXYQWWMMMP-UHFFFAOYSA-N 2 2 451.637 1.308 20 0 JDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC001471365668 1068857544 /nfs/dbraw/zinc/85/75/44/1068857544.db2.gz KBFYHXYQWWMMMP-UHFFFAOYSA-N 2 2 451.637 1.308 20 0 JDADLP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC001499712177 1069046246 /nfs/dbraw/zinc/04/62/46/1069046246.db2.gz SLSSIIJDTDGRBN-GGAORHGYSA-N 2 2 470.666 1.913 20 0 JDADLP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC[N@H+]1CCOC ZINC001499712177 1069046270 /nfs/dbraw/zinc/04/62/70/1069046270.db2.gz SLSSIIJDTDGRBN-GGAORHGYSA-N 2 2 470.666 1.913 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001499727798 1069059712 /nfs/dbraw/zinc/05/97/12/1069059712.db2.gz IBDFKYZBBOINPW-RTBURBONSA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001499727798 1069059719 /nfs/dbraw/zinc/05/97/19/1069059719.db2.gz IBDFKYZBBOINPW-RTBURBONSA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001499727792 1069059735 /nfs/dbraw/zinc/05/97/35/1069059735.db2.gz IBDFKYZBBOINPW-MOPGFXCFSA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001499727792 1069059739 /nfs/dbraw/zinc/05/97/39/1069059739.db2.gz IBDFKYZBBOINPW-MOPGFXCFSA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC001499727794 1069059817 /nfs/dbraw/zinc/05/98/17/1069059817.db2.gz IBDFKYZBBOINPW-OALUTQOASA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([NH+](C)C)CCC2)CC[N@H+]1CCOC ZINC001499727794 1069059821 /nfs/dbraw/zinc/05/98/21/1069059821.db2.gz IBDFKYZBBOINPW-OALUTQOASA-N 2 2 468.668 1.212 20 0 JDADLP CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@@H+]1CCOC ZINC001499766890 1069078752 /nfs/dbraw/zinc/07/87/52/1069078752.db2.gz VUSMLIAZIUCKNB-QFIPXVFZSA-N 2 2 489.690 1.642 20 0 JDADLP CC[C@H]1CN(c2nnc(Cc3ccsc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC[N@H+]1CCOC ZINC001499766890 1069078758 /nfs/dbraw/zinc/07/87/58/1069078758.db2.gz VUSMLIAZIUCKNB-QFIPXVFZSA-N 2 2 489.690 1.642 20 0 JDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@H]21 ZINC001473219979 1069097554 /nfs/dbraw/zinc/09/75/54/1069097554.db2.gz OUXZKJREMJILLF-QFBILLFUSA-N 2 2 456.559 1.214 20 0 JDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@H]21 ZINC001473219979 1069097567 /nfs/dbraw/zinc/09/75/67/1069097567.db2.gz OUXZKJREMJILLF-QFBILLFUSA-N 2 2 456.559 1.214 20 0 JDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@H]21 ZINC001473219979 1069097576 /nfs/dbraw/zinc/09/75/76/1069097576.db2.gz OUXZKJREMJILLF-QFBILLFUSA-N 2 2 456.559 1.214 20 0 JDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@H]21 ZINC001473219979 1069097594 /nfs/dbraw/zinc/09/75/94/1069097594.db2.gz OUXZKJREMJILLF-QFBILLFUSA-N 2 2 456.559 1.214 20 0 JDADLP O=S1(=O)C[C@@H]([NH2+]Cc2ccc(OCCn3cc[nH+]c3)c(Cl)c2)[C@H](N2CCOCC2)C1 ZINC001474000001 1069238982 /nfs/dbraw/zinc/23/89/82/1069238982.db2.gz XRMFABMXKRVCJQ-RTBURBONSA-N 2 2 454.980 1.203 20 0 JDADLP Cn1nc(Br)cc1C[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001474127981 1069240559 /nfs/dbraw/zinc/24/05/59/1069240559.db2.gz ZIVMGJISDGNHIO-AWEZNQCLSA-N 2 2 450.385 1.119 20 0 JDADLP CSC1(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001505196766 1072413572 /nfs/dbraw/zinc/41/35/72/1072413572.db2.gz DQZHPSYUOBJTAF-XMMPIXPASA-N 2 2 496.722 1.915 20 0 JDADLP CSC1(Cn2c(N(C)CC[NH+]3CCOCC3)nnc2[C@]2(OC(C)C)CCOC2)CC[NH+](C)CC1 ZINC001505196765 1072413598 /nfs/dbraw/zinc/41/35/98/1072413598.db2.gz DQZHPSYUOBJTAF-DEOSSOPVSA-N 2 2 496.722 1.915 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508266886 1073033216 /nfs/dbraw/zinc/03/32/16/1073033216.db2.gz CILUQHNJCZYZRX-IFMALSPDSA-N 2 2 489.709 1.966 20 0 JDADLP CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508268494 1073036344 /nfs/dbraw/zinc/03/63/44/1073036344.db2.gz HZYPVMAYRZSTNZ-QPTUXGOLSA-N 2 2 489.709 1.822 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC001508272483 1073040406 /nfs/dbraw/zinc/04/04/06/1073040406.db2.gz IJNJRZQESJNJPF-JOCHJYFZSA-N 2 2 461.655 1.850 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC001508272483 1073040423 /nfs/dbraw/zinc/04/04/23/1073040423.db2.gz IJNJRZQESJNJPF-JOCHJYFZSA-N 2 2 461.655 1.850 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(CCc3ccccc3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001508273094 1073041112 /nfs/dbraw/zinc/04/11/12/1073041112.db2.gz KSHZEVKYMJJDDX-UHFFFAOYSA-N 2 2 453.635 1.758 20 0 JDADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCC[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508277502 1073051323 /nfs/dbraw/zinc/05/13/23/1073051323.db2.gz XLUDTKURTFAHSL-UNMCSNQZSA-N 2 2 461.655 1.188 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC001508278468 1073054560 /nfs/dbraw/zinc/05/45/60/1073054560.db2.gz LSUKVDWWPOXNMN-WIOPSUGQSA-N 2 2 499.708 1.894 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC001508278468 1073054570 /nfs/dbraw/zinc/05/45/70/1073054570.db2.gz LSUKVDWWPOXNMN-WIOPSUGQSA-N 2 2 499.708 1.894 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(C3CC3)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001508279901 1073059026 /nfs/dbraw/zinc/05/90/26/1073059026.db2.gz RPFGBLZEHAFQLQ-UHFFFAOYSA-N 2 2 487.571 1.411 20 0 JDADLP CC(C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001508987107 1073461786 /nfs/dbraw/zinc/46/17/86/1073461786.db2.gz AQCRRSGUNCRHBW-UHFFFAOYSA-N 2 2 461.655 1.647 20 0 JDADLP CC(C)c1nnc(N2CCC[NH+](CC(=O)N3CCCC3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001508987107 1073461790 /nfs/dbraw/zinc/46/17/90/1073461790.db2.gz AQCRRSGUNCRHBW-UHFFFAOYSA-N 2 2 461.655 1.647 20 0 JDADLP CC(C)c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCOCC1(C)C ZINC001508987107 1073461793 /nfs/dbraw/zinc/46/17/93/1073461793.db2.gz AQCRRSGUNCRHBW-UHFFFAOYSA-N 2 2 461.655 1.647 20 0 JDADLP CC(C)c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CC[NH+]1CCOCC1(C)C ZINC001508987107 1073461798 /nfs/dbraw/zinc/46/17/98/1073461798.db2.gz AQCRRSGUNCRHBW-UHFFFAOYSA-N 2 2 461.655 1.647 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001509015821 1073479127 /nfs/dbraw/zinc/47/91/27/1073479127.db2.gz VVRNATKILZSOPG-QHCPKHFHSA-N 2 2 477.698 1.745 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCCC[NH+]1CCOCC1 ZINC001509015821 1073479132 /nfs/dbraw/zinc/47/91/32/1073479132.db2.gz VVRNATKILZSOPG-QHCPKHFHSA-N 2 2 477.698 1.745 20 0 JDADLP CC(C)C[C@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001509108482 1073503554 /nfs/dbraw/zinc/50/35/54/1073503554.db2.gz BBIJCQKGTIWBTR-NHCUHLMSSA-N 2 2 483.665 1.844 20 0 JDADLP CC(C)Cc1nnc(N2CCS(=O)(=O)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001509234795 1073543278 /nfs/dbraw/zinc/54/32/78/1073543278.db2.gz TUNYQEYAGQILKR-UHFFFAOYSA-N 2 2 461.636 1.319 20 0 JDADLP CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001509440061 1073620721 /nfs/dbraw/zinc/62/07/21/1073620721.db2.gz DXLYNJWTHPWCNG-RTWAWAEBSA-N 2 2 450.628 1.645 20 0 JDADLP CC(C)C[N@H+]1CCO[C@@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)CC[NH+]2CCOCC2)C1 ZINC001509440061 1073620723 /nfs/dbraw/zinc/62/07/23/1073620723.db2.gz DXLYNJWTHPWCNG-RTWAWAEBSA-N 2 2 450.628 1.645 20 0 JDADLP CC(C)[N@@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509561878 1073683579 /nfs/dbraw/zinc/68/35/79/1073683579.db2.gz AOPQFIZAIANIKH-IBGZPJMESA-N 2 2 475.663 1.911 20 0 JDADLP CC(C)[N@H+]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509561878 1073683595 /nfs/dbraw/zinc/68/35/95/1073683595.db2.gz AOPQFIZAIANIKH-IBGZPJMESA-N 2 2 475.663 1.911 20 0 JDADLP CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1([NH+](C)C)Cc2ccccc2C1 ZINC001509605204 1073729870 /nfs/dbraw/zinc/72/98/70/1073729870.db2.gz UHWDUBZXKPIJGQ-UHFFFAOYSA-N 2 2 469.634 1.284 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@H+](C)Cc1ccc(F)cc1 ZINC001509625564 1073748761 /nfs/dbraw/zinc/74/87/61/1073748761.db2.gz HHOIGVACBRCUGD-RUZDIDTESA-N 2 2 487.624 1.988 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[C@@](C)([NH+]3CCOCC3)C2)n1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001509625564 1073748769 /nfs/dbraw/zinc/74/87/69/1073748769.db2.gz HHOIGVACBRCUGD-RUZDIDTESA-N 2 2 487.624 1.988 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCC5(CC([NH3+])C5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164387224 718802171 /nfs/dbraw/zinc/80/21/71/718802171.db2.gz JPBGCIISVSWXNC-UHFFFAOYSA-N 2 2 471.675 1.983 20 0 JDADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164615184 719016262 /nfs/dbraw/zinc/01/62/62/719016262.db2.gz HGMYXDKZDVCEDC-PMVMPFDFSA-N 2 2 463.582 1.769 20 0 JDADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC001164629128 719060187 /nfs/dbraw/zinc/06/01/87/719060187.db2.gz VUBDBTZHHYIPJZ-YADHBBJMSA-N 2 2 465.602 1.646 20 0 JDADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)[C@H]3C2)cc1 ZINC001164629128 719060195 /nfs/dbraw/zinc/06/01/95/719060195.db2.gz VUBDBTZHHYIPJZ-YADHBBJMSA-N 2 2 465.602 1.646 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H](C5([NH3+])CC5)[C@H](CF)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624175 719121510 /nfs/dbraw/zinc/12/15/10/719121510.db2.gz UHKOBSASBDSAHY-MJGOQNOKSA-N 2 2 489.665 1.789 20 0 JDADLP CN(C)C(=O)CN1CC[C@@]2(CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2c2ccccc2)C1=O ZINC001164629744 719143304 /nfs/dbraw/zinc/14/33/04/719143304.db2.gz DGDKQCRUQWFPMG-CUNXSJBXSA-N 2 2 476.625 1.744 20 0 JDADLP Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)C3)nn1 ZINC001164635739 719266020 /nfs/dbraw/zinc/26/60/20/719266020.db2.gz IEHYGSQEQCXFJB-HYBUGGRVSA-N 2 2 453.591 1.656 20 0 JDADLP CN(C)c1nc(N2CCOC[C@]3(CCCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)C2)cc[nH+]1 ZINC001164664871 719356718 /nfs/dbraw/zinc/35/67/18/719356718.db2.gz RBSIFYOWVZABGY-DEOSSOPVSA-N 2 2 467.622 1.208 20 0 JDADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(S(C)(=O)=O)nc4c2CC[NH2+]CC4)CC3)cs1 ZINC001164694350 719803260 /nfs/dbraw/zinc/80/32/60/719803260.db2.gz XPEFLGOZIPIAAH-UHFFFAOYSA-N 2 2 476.672 1.968 20 0 JDADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(S(C)(=O)=O)nc4c2CC[NH2+]CC4)CC3)cs1 ZINC001164694350 719803265 /nfs/dbraw/zinc/80/32/65/719803265.db2.gz XPEFLGOZIPIAAH-UHFFFAOYSA-N 2 2 476.672 1.968 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[C@H](C(=O)NCCc5ccccn5)O[C@@H]4C3)[nH+]2)CC1 ZINC001164702687 719819358 /nfs/dbraw/zinc/81/93/58/719819358.db2.gz SXJNPRHAUDYZMI-CEMLEFRQSA-N 2 2 450.587 1.571 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)CC1 ZINC001164829551 720336915 /nfs/dbraw/zinc/33/69/15/720336915.db2.gz SLKAUNWIPCLTNG-NHCUHLMSSA-N 2 2 468.650 1.984 20 0 JDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC001164829551 720336922 /nfs/dbraw/zinc/33/69/22/720336922.db2.gz SLKAUNWIPCLTNG-NHCUHLMSSA-N 2 2 468.650 1.984 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC3)C2=O)cs1 ZINC001164825498 720360492 /nfs/dbraw/zinc/36/04/92/720360492.db2.gz PUFPHPLKJJWHCL-UHFFFAOYSA-N 2 2 470.647 1.307 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(N5CC[NH+](C)CC5)nn4)CC3)C2=O)cs1 ZINC001164825498 720360496 /nfs/dbraw/zinc/36/04/96/720360496.db2.gz PUFPHPLKJJWHCL-UHFFFAOYSA-N 2 2 470.647 1.307 20 0 JDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164859849 720883116 /nfs/dbraw/zinc/88/31/16/720883116.db2.gz MWUSEMABLRCJQL-GGAORHGYSA-N 2 2 452.603 1.977 20 0 JDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164859849 720883117 /nfs/dbraw/zinc/88/31/17/720883117.db2.gz MWUSEMABLRCJQL-GGAORHGYSA-N 2 2 452.603 1.977 20 0 JDADLP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164757697 721015892 /nfs/dbraw/zinc/01/58/92/721015892.db2.gz GFYRFKAGDOABOG-BAGYTPMASA-N 2 2 450.587 1.871 20 0 JDADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC2)C1 ZINC001164868595 721273704 /nfs/dbraw/zinc/27/37/04/721273704.db2.gz DMXFGCQSVYIHCG-UHFFFAOYSA-N 2 2 486.617 1.985 20 0 JDADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4COC(=O)C(C)(C)C)CC2)C1 ZINC001164868595 721273709 /nfs/dbraw/zinc/27/37/09/721273709.db2.gz DMXFGCQSVYIHCG-UHFFFAOYSA-N 2 2 486.617 1.985 20 0 JDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164802333 721573850 /nfs/dbraw/zinc/57/38/50/721573850.db2.gz ICHQCMUPNSGFOL-BDTNDASRSA-N 2 2 451.575 1.180 20 0 JDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@H]2CCCO[C@H]12 ZINC001164802333 721573854 /nfs/dbraw/zinc/57/38/54/721573854.db2.gz ICHQCMUPNSGFOL-BDTNDASRSA-N 2 2 451.575 1.180 20 0 JDADLP Cc1cccc(CN2CCO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CC[C@@H]3C2=O)n1 ZINC001164797994 721602834 /nfs/dbraw/zinc/60/28/34/721602834.db2.gz DUHYTURONHKVBG-VXKWHMMOSA-N 2 2 450.587 1.791 20 0 JDADLP Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCC2 ZINC001165012694 721751671 /nfs/dbraw/zinc/75/16/71/721751671.db2.gz GQTYLARIZJYHMR-UHFFFAOYSA-N 2 2 492.584 1.185 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)NCCc5ccncc5)[C@@H]4C3)[nH+]2)CC1 ZINC001165013838 721753548 /nfs/dbraw/zinc/75/35/48/721753548.db2.gz SZVMPQHVERBGOO-VABKMULXSA-N 2 2 464.614 1.819 20 0 JDADLP Cc1nc(CN2CCOC[C@@]3(CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CCO3)C2)cs1 ZINC001164920408 721829721 /nfs/dbraw/zinc/82/97/21/721829721.db2.gz CWTROEKGSUJRJM-QHCPKHFHSA-N 2 2 458.632 1.706 20 0 JDADLP COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC001165028573 721856272 /nfs/dbraw/zinc/85/62/72/721856272.db2.gz NRVOMFKUDSDOJI-GHTZIAJQSA-N 2 2 455.559 1.985 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)n1)CC[NH2+]CC2 ZINC001164960530 722051723 /nfs/dbraw/zinc/05/17/23/722051723.db2.gz RMHUPLDTBWKJCB-UHFFFAOYSA-N 2 2 486.642 1.082 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n1)CC[NH2+]CC2 ZINC001164960530 722051724 /nfs/dbraw/zinc/05/17/24/722051724.db2.gz RMHUPLDTBWKJCB-UHFFFAOYSA-N 2 2 486.642 1.082 20 0 JDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)C[NH2+]1 ZINC001164967060 722071980 /nfs/dbraw/zinc/07/19/80/722071980.db2.gz GSCAPZGRGVOXKR-NXWNEQKCSA-N 2 2 483.569 1.220 20 0 JDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)C[NH2+]1 ZINC001164967060 722071981 /nfs/dbraw/zinc/07/19/81/722071981.db2.gz GSCAPZGRGVOXKR-NXWNEQKCSA-N 2 2 483.569 1.220 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)n2)CC1 ZINC001164996371 722235551 /nfs/dbraw/zinc/23/55/51/722235551.db2.gz DNWMMCFUAZNVFQ-UHFFFAOYSA-N 2 2 466.590 1.013 20 0 JDADLP C[NH+](C)CCOCc1ncn2c1CN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)CCC2 ZINC001165003700 722256060 /nfs/dbraw/zinc/25/60/60/722256060.db2.gz GHOAYJAHYPRCSJ-UHFFFAOYSA-N 2 2 455.611 1.757 20 0 JDADLP C[NH+](C)CCOCc1ncn2c1CN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)CCC2 ZINC001165003700 722256062 /nfs/dbraw/zinc/25/60/62/722256062.db2.gz GHOAYJAHYPRCSJ-UHFFFAOYSA-N 2 2 455.611 1.757 20 0 JDADLP CCC[N@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001501045891 1069370210 /nfs/dbraw/zinc/37/02/10/1069370210.db2.gz LWFKSEYPVUPINI-NRFANRHFSA-N 2 2 471.654 1.543 20 0 JDADLP CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC001501045891 1069370206 /nfs/dbraw/zinc/37/02/06/1069370206.db2.gz LWFKSEYPVUPINI-NRFANRHFSA-N 2 2 471.654 1.543 20 0 JDADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001476109166 1069603798 /nfs/dbraw/zinc/60/37/98/1069603798.db2.gz ABKIDRNPOXZNRA-HXUWFJFHSA-N 2 2 459.639 1.044 20 0 JDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(C(C)C)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001501770239 1069628731 /nfs/dbraw/zinc/62/87/31/1069628731.db2.gz RWDFSHIMJNNAGR-UHFFFAOYSA-N 2 2 463.671 1.893 20 0 JDADLP CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(C(C)C)n2CC[NH+]2CCOCC2(C)C)CC1 ZINC001501770239 1069628784 /nfs/dbraw/zinc/62/87/84/1069628784.db2.gz RWDFSHIMJNNAGR-UHFFFAOYSA-N 2 2 463.671 1.893 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001501770239 1069628844 /nfs/dbraw/zinc/62/88/44/1069628844.db2.gz RWDFSHIMJNNAGR-UHFFFAOYSA-N 2 2 463.671 1.893 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCCN(c2nnc(C(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001501770239 1069628884 /nfs/dbraw/zinc/62/88/84/1069628884.db2.gz RWDFSHIMJNNAGR-UHFFFAOYSA-N 2 2 463.671 1.893 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001501783303 1069670685 /nfs/dbraw/zinc/67/06/85/1069670685.db2.gz IHLZFOSIWSMAOM-HXUWFJFHSA-N 2 2 454.623 1.815 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001501783303 1069670701 /nfs/dbraw/zinc/67/07/01/1069670701.db2.gz IHLZFOSIWSMAOM-HXUWFJFHSA-N 2 2 454.623 1.815 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501784045 1069680282 /nfs/dbraw/zinc/68/02/82/1069680282.db2.gz UMFYPDZBHCIYIE-RTWAWAEBSA-N 2 2 483.665 1.846 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501784045 1069680301 /nfs/dbraw/zinc/68/03/01/1069680301.db2.gz UMFYPDZBHCIYIE-RTWAWAEBSA-N 2 2 483.665 1.846 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501784252 1069681430 /nfs/dbraw/zinc/68/14/30/1069681430.db2.gz YUUKIQZIXOVCFQ-QHCPKHFHSA-N 2 2 474.679 1.701 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501784044 1069679444 /nfs/dbraw/zinc/67/94/44/1069679444.db2.gz UMFYPDZBHCIYIE-NHCUHLMSSA-N 2 2 483.665 1.846 20 0 JDADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001501784044 1069679460 /nfs/dbraw/zinc/67/94/60/1069679460.db2.gz UMFYPDZBHCIYIE-NHCUHLMSSA-N 2 2 483.665 1.846 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501792735 1069716372 /nfs/dbraw/zinc/71/63/72/1069716372.db2.gz CWJNAMIULMYRDT-RTWAWAEBSA-N 2 2 488.681 1.377 20 0 JDADLP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001501792736 1069716541 /nfs/dbraw/zinc/71/65/41/1069716541.db2.gz CWJNAMIULMYRDT-SFTDATJTSA-N 2 2 488.681 1.377 20 0 JDADLP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001501797616 1069724864 /nfs/dbraw/zinc/72/48/64/1069724864.db2.gz GLCPRLMVGTUEBS-HXUWFJFHSA-N 2 2 454.623 1.815 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501903581 1069769671 /nfs/dbraw/zinc/76/96/71/1069769671.db2.gz BHZAFJXVJBOIKX-UHFFFAOYSA-N 2 2 464.574 1.782 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c[nH+]ccc2OC)CC1 ZINC001501906425 1069783355 /nfs/dbraw/zinc/78/33/55/1069783355.db2.gz CZOKRHAFVZFYAG-GOSISDBHSA-N 2 2 457.579 1.224 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001501906342 1069781414 /nfs/dbraw/zinc/78/14/14/1069781414.db2.gz AQWIEZOVWDEONB-QHCPKHFHSA-N 2 2 497.688 1.888 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001501906342 1069781443 /nfs/dbraw/zinc/78/14/43/1069781443.db2.gz AQWIEZOVWDEONB-QHCPKHFHSA-N 2 2 497.688 1.888 20 0 JDADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501906340 1069782168 /nfs/dbraw/zinc/78/21/68/1069782168.db2.gz AQJVFYSJHZGCBE-UHFFFAOYSA-N 2 2 490.697 1.021 20 0 JDADLP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001501952744 1069806244 /nfs/dbraw/zinc/80/62/44/1069806244.db2.gz WAFPNJVJNXFTJJ-OAQYLSRUSA-N 2 2 483.665 1.990 20 0 JDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC001477252589 1069808214 /nfs/dbraw/zinc/80/82/14/1069808214.db2.gz YLCPCZUEIBJVJS-VWLOTQADSA-N 2 2 459.635 1.239 20 0 JDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC001477252589 1069808215 /nfs/dbraw/zinc/80/82/15/1069808215.db2.gz YLCPCZUEIBJVJS-VWLOTQADSA-N 2 2 459.635 1.239 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477298280 1069811388 /nfs/dbraw/zinc/81/13/88/1069811388.db2.gz NMIJUGNQPZQIIY-QHAWAJNXSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001477298280 1069811390 /nfs/dbraw/zinc/81/13/90/1069811390.db2.gz NMIJUGNQPZQIIY-QHAWAJNXSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477298280 1069811393 /nfs/dbraw/zinc/81/13/93/1069811393.db2.gz NMIJUGNQPZQIIY-QHAWAJNXSA-N 2 2 459.639 1.949 20 0 JDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001477298280 1069811398 /nfs/dbraw/zinc/81/13/98/1069811398.db2.gz NMIJUGNQPZQIIY-QHAWAJNXSA-N 2 2 459.639 1.949 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)cc2)CC1 ZINC001477756095 1069854082 /nfs/dbraw/zinc/85/40/82/1069854082.db2.gz NGFBWNMNQLFQII-RPWUZVMVSA-N 2 2 457.619 1.650 20 0 JDADLP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2)CC1 ZINC001477756095 1069854090 /nfs/dbraw/zinc/85/40/90/1069854090.db2.gz NGFBWNMNQLFQII-RPWUZVMVSA-N 2 2 457.619 1.650 20 0 JDADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001477799895 1069859389 /nfs/dbraw/zinc/85/93/89/1069859389.db2.gz SLYMQMGWDIJFNK-IFMALSPDSA-N 2 2 466.648 1.332 20 0 JDADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001477799895 1069859394 /nfs/dbraw/zinc/85/93/94/1069859394.db2.gz SLYMQMGWDIJFNK-IFMALSPDSA-N 2 2 466.648 1.332 20 0 JDADLP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001477963467 1069881899 /nfs/dbraw/zinc/88/18/99/1069881899.db2.gz VYGLJJQYZNKUKS-QFIPXVFZSA-N 2 2 457.619 1.445 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502256738 1069948919 /nfs/dbraw/zinc/94/89/19/1069948919.db2.gz BXVSUODZUSXYPY-HSALFYBXSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502256738 1069948942 /nfs/dbraw/zinc/94/89/42/1069948942.db2.gz BXVSUODZUSXYPY-HSALFYBXSA-N 2 2 452.669 1.831 20 0 JDADLP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502257248 1069951741 /nfs/dbraw/zinc/95/17/41/1069951741.db2.gz IHMPCLBKEKPWBZ-UGNRZPKXSA-N 2 2 470.709 1.536 20 0 JDADLP CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502257248 1069951775 /nfs/dbraw/zinc/95/17/75/1069951775.db2.gz IHMPCLBKEKPWBZ-UGNRZPKXSA-N 2 2 470.709 1.536 20 0 JDADLP CCOC(=O)c1ccc(N2CC(NC(=O)N3CCC[N@@H+](C4CC[NH+](CC)CC4)CC3)C2)nc1 ZINC001478421931 1069993113 /nfs/dbraw/zinc/99/31/13/1069993113.db2.gz SAWJJPLIEWJPJR-UHFFFAOYSA-N 2 2 458.607 1.649 20 0 JDADLP CCOC(=O)c1ccc(N2CC(NC(=O)N3CCC[N@H+](C4CC[NH+](CC)CC4)CC3)C2)nc1 ZINC001478421931 1069993143 /nfs/dbraw/zinc/99/31/43/1069993143.db2.gz SAWJJPLIEWJPJR-UHFFFAOYSA-N 2 2 458.607 1.649 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315174 1070097809 /nfs/dbraw/zinc/09/78/09/1070097809.db2.gz IILRLHVDOLNGTB-FGZHOGPDSA-N 2 2 470.666 1.447 20 0 JDADLP CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315174 1070097830 /nfs/dbraw/zinc/09/78/30/1070097830.db2.gz IILRLHVDOLNGTB-FGZHOGPDSA-N 2 2 470.666 1.447 20 0 JDADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248391 1070112334 /nfs/dbraw/zinc/11/23/34/1070112334.db2.gz WQHHGEBSBCIKGT-VQTJNVASSA-N 2 2 455.644 1.806 20 0 JDADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC001479248391 1070112351 /nfs/dbraw/zinc/11/23/51/1070112351.db2.gz WQHHGEBSBCIKGT-VQTJNVASSA-N 2 2 455.644 1.806 20 0 JDADLP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001502326969 1070147101 /nfs/dbraw/zinc/14/71/01/1070147101.db2.gz GJFMBWAIRBXUBM-RBUKOAKNSA-N 2 2 492.650 1.039 20 0 JDADLP CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001502326969 1070147127 /nfs/dbraw/zinc/14/71/27/1070147127.db2.gz GJFMBWAIRBXUBM-RBUKOAKNSA-N 2 2 492.650 1.039 20 0 JDADLP CC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502328671 1070161891 /nfs/dbraw/zinc/16/18/91/1070161891.db2.gz LBPWCUPIWHQYRK-IBGZPJMESA-N 2 2 457.598 1.703 20 0 JDADLP CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502328671 1070161901 /nfs/dbraw/zinc/16/19/01/1070161901.db2.gz LBPWCUPIWHQYRK-IBGZPJMESA-N 2 2 457.598 1.703 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001502332013 1070167610 /nfs/dbraw/zinc/16/76/10/1070167610.db2.gz BGZBUCWNVHMGFU-OAQYLSRUSA-N 2 2 460.671 1.461 20 0 JDADLP CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001502332013 1070167618 /nfs/dbraw/zinc/16/76/18/1070167618.db2.gz BGZBUCWNVHMGFU-OAQYLSRUSA-N 2 2 460.671 1.461 20 0 JDADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccco3)[NH+](C)C)C2)CC1 ZINC001502332070 1070169201 /nfs/dbraw/zinc/16/92/01/1070169201.db2.gz CJTGAIAIGGWMSW-WOJBJXKFSA-N 2 2 472.638 1.528 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337506 1070205442 /nfs/dbraw/zinc/20/54/42/1070205442.db2.gz JFWFDUKIMMISPC-HSZRJFAPSA-N 2 2 488.725 1.810 20 0 JDADLP CCN1CC[NH+](C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337506 1070205469 /nfs/dbraw/zinc/20/54/69/1070205469.db2.gz JFWFDUKIMMISPC-HSZRJFAPSA-N 2 2 488.725 1.810 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337506 1070205500 /nfs/dbraw/zinc/20/55/00/1070205500.db2.gz JFWFDUKIMMISPC-HSZRJFAPSA-N 2 2 488.725 1.810 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337506 1070205530 /nfs/dbraw/zinc/20/55/30/1070205530.db2.gz JFWFDUKIMMISPC-HSZRJFAPSA-N 2 2 488.725 1.810 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337507 1070206310 /nfs/dbraw/zinc/20/63/10/1070206310.db2.gz JFWFDUKIMMISPC-QHCPKHFHSA-N 2 2 488.725 1.810 20 0 JDADLP CCN1CC[NH+](C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337507 1070206344 /nfs/dbraw/zinc/20/63/44/1070206344.db2.gz JFWFDUKIMMISPC-QHCPKHFHSA-N 2 2 488.725 1.810 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337507 1070206371 /nfs/dbraw/zinc/20/63/71/1070206371.db2.gz JFWFDUKIMMISPC-QHCPKHFHSA-N 2 2 488.725 1.810 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC001502337507 1070206405 /nfs/dbraw/zinc/20/64/05/1070206405.db2.gz JFWFDUKIMMISPC-QHCPKHFHSA-N 2 2 488.725 1.810 20 0 JDADLP CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001502342945 1070231798 /nfs/dbraw/zinc/23/17/98/1070231798.db2.gz HCCJDLPPGRNVDZ-RTWAWAEBSA-N 2 2 495.738 1.374 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343769 1070243808 /nfs/dbraw/zinc/24/38/08/1070243808.db2.gz UGLNGOVHXDGJMX-FDFHNCONSA-N 2 2 463.671 1.213 20 0 JDADLP CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343769 1070243831 /nfs/dbraw/zinc/24/38/31/1070243831.db2.gz UGLNGOVHXDGJMX-FDFHNCONSA-N 2 2 463.671 1.213 20 0 JDADLP CCN1CC[NH+](CCCCn2c(C(C)C)nnc2N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502349244 1070265891 /nfs/dbraw/zinc/26/58/91/1070265891.db2.gz QXXFHZSUVPVRRF-UPVQGACJSA-N 2 2 488.725 1.808 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493795722 1070347350 /nfs/dbraw/zinc/34/73/50/1070347350.db2.gz GEUNWUSTAIAAJQ-NHCUHLMSSA-N 2 2 488.681 1.281 20 0 JDADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795722 1070347369 /nfs/dbraw/zinc/34/73/69/1070347369.db2.gz GEUNWUSTAIAAJQ-NHCUHLMSSA-N 2 2 488.681 1.281 20 0 JDADLP C[C@@H]1C[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001494097842 1070393046 /nfs/dbraw/zinc/39/30/46/1070393046.db2.gz XSCRPGAYFIUXHE-HBMCJLEFSA-N 2 2 464.655 1.828 20 0 JDADLP C[C@@H]1C[N@@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC001494097842 1070393066 /nfs/dbraw/zinc/39/30/66/1070393066.db2.gz XSCRPGAYFIUXHE-HBMCJLEFSA-N 2 2 464.655 1.828 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@@H](C)[N@H+](CC)C[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663717 1070742188 /nfs/dbraw/zinc/74/21/88/1070742188.db2.gz CCOKOCDIRBECJJ-JXALWOEJSA-N 2 2 477.654 1.013 20 0 JDADLP CCO[C@]1(c2nnc(N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502663717 1070742200 /nfs/dbraw/zinc/74/22/00/1070742200.db2.gz CCOKOCDIRBECJJ-JXALWOEJSA-N 2 2 477.654 1.013 20 0 JDADLP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001495699799 1070816552 /nfs/dbraw/zinc/81/65/52/1070816552.db2.gz WVXQFFFSXUPVSI-NRFANRHFSA-N 2 2 474.698 1.562 20 0 JDADLP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001495699799 1070816553 /nfs/dbraw/zinc/81/65/53/1070816553.db2.gz WVXQFFFSXUPVSI-NRFANRHFSA-N 2 2 474.698 1.562 20 0 JDADLP CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001495708991 1070816928 /nfs/dbraw/zinc/81/69/28/1070816928.db2.gz BDXYZISYKWMFCB-NHCUHLMSSA-N 2 2 475.682 1.771 20 0 JDADLP CC[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791992 1070821084 /nfs/dbraw/zinc/82/10/84/1070821084.db2.gz OUVXKEXCKUDIFC-WOJBJXKFSA-N 2 2 461.655 1.645 20 0 JDADLP CC[C@@H](C)c1nnc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001495791992 1070821086 /nfs/dbraw/zinc/82/10/86/1070821086.db2.gz OUVXKEXCKUDIFC-WOJBJXKFSA-N 2 2 461.655 1.645 20 0 JDADLP COc1cc(OC)cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CC(C)(C)[NH+]2CCOCC2)c1 ZINC001504116818 1070840292 /nfs/dbraw/zinc/84/02/92/1070840292.db2.gz CFTLLWDAENUJPV-UHFFFAOYSA-N 2 2 488.633 1.842 20 0 JDADLP CCOCc1nnc(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCn1cc[nH+]c1C ZINC001503034335 1070989701 /nfs/dbraw/zinc/98/97/01/1070989701.db2.gz PSSTWVINDYWCLB-RXVVDRJESA-N 2 2 458.611 1.399 20 0 JDADLP CCOCc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCCn1cc[nH+]c1C ZINC001503034334 1070991450 /nfs/dbraw/zinc/99/14/50/1070991450.db2.gz PSSTWVINDYWCLB-NQIIRXRSSA-N 2 2 458.611 1.399 20 0 JDADLP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503055162 1071010842 /nfs/dbraw/zinc/01/08/42/1071010842.db2.gz USBZUPQDSGPKGJ-NRFANRHFSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503055162 1071010863 /nfs/dbraw/zinc/01/08/63/1071010863.db2.gz USBZUPQDSGPKGJ-NRFANRHFSA-N 2 2 491.681 1.306 20 0 JDADLP CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001503096070 1071038808 /nfs/dbraw/zinc/03/88/08/1071038808.db2.gz FVTWBIKUBZOHHP-SFTDATJTSA-N 2 2 450.628 1.332 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503219799 1071173432 /nfs/dbraw/zinc/17/34/32/1071173432.db2.gz QFAAMRJPUOGPRZ-NHCUHLMSSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503219799 1071173440 /nfs/dbraw/zinc/17/34/40/1071173440.db2.gz QFAAMRJPUOGPRZ-NHCUHLMSSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503219799 1071173460 /nfs/dbraw/zinc/17/34/60/1071173460.db2.gz QFAAMRJPUOGPRZ-NHCUHLMSSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1CC ZINC001503219799 1071173473 /nfs/dbraw/zinc/17/34/73/1071173473.db2.gz QFAAMRJPUOGPRZ-NHCUHLMSSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503219800 1071173626 /nfs/dbraw/zinc/17/36/26/1071173626.db2.gz QFAAMRJPUOGPRZ-RTWAWAEBSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503219800 1071173632 /nfs/dbraw/zinc/17/36/32/1071173632.db2.gz QFAAMRJPUOGPRZ-RTWAWAEBSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503219800 1071173646 /nfs/dbraw/zinc/17/36/46/1071173646.db2.gz QFAAMRJPUOGPRZ-RTWAWAEBSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1CC ZINC001503219800 1071173658 /nfs/dbraw/zinc/17/36/58/1071173658.db2.gz QFAAMRJPUOGPRZ-RTWAWAEBSA-N 2 2 459.639 1.941 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001503222679 1071183744 /nfs/dbraw/zinc/18/37/44/1071183744.db2.gz IGFWKHDJWXUXAM-FGZHOGPDSA-N 2 2 463.671 1.357 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223968 1071190884 /nfs/dbraw/zinc/19/08/84/1071190884.db2.gz RGWCMVSKCOEFCX-SFTDATJTSA-N 2 2 450.628 1.297 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001503223967 1071191127 /nfs/dbraw/zinc/19/11/27/1071191127.db2.gz RGWCMVSKCOEFCX-RTWAWAEBSA-N 2 2 450.628 1.297 20 0 JDADLP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503224466 1071192491 /nfs/dbraw/zinc/19/24/91/1071192491.db2.gz BVRCJFFUUVXUTB-PCCBWWKXSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503224466 1071192503 /nfs/dbraw/zinc/19/25/03/1071192503.db2.gz BVRCJFFUUVXUTB-PCCBWWKXSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503224466 1071192511 /nfs/dbraw/zinc/19/25/11/1071192511.db2.gz BVRCJFFUUVXUTB-PCCBWWKXSA-N 2 2 450.628 1.787 20 0 JDADLP CCOCC[NH+]1CCN(c2nnc([C@H]3CCCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503224466 1071192519 /nfs/dbraw/zinc/19/25/19/1071192519.db2.gz BVRCJFFUUVXUTB-PCCBWWKXSA-N 2 2 450.628 1.787 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001504454391 1071226150 /nfs/dbraw/zinc/22/61/50/1071226150.db2.gz QRYMQMVTSQZXJI-SFHVURJKSA-N 2 2 457.579 1.417 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504454663 1071227089 /nfs/dbraw/zinc/22/70/89/1071227089.db2.gz SKVBFAJQAMZACY-GHTZIAJQSA-N 2 2 498.632 1.247 20 0 JDADLP COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001504454663 1071227109 /nfs/dbraw/zinc/22/71/09/1071227109.db2.gz SKVBFAJQAMZACY-GHTZIAJQSA-N 2 2 498.632 1.247 20 0 JDADLP COC1CC[NH+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001504491466 1071267172 /nfs/dbraw/zinc/26/71/72/1071267172.db2.gz FMCMNJAIDGYNMD-IBGZPJMESA-N 2 2 450.628 1.440 20 0 JDADLP C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503403079 1071668612 /nfs/dbraw/zinc/66/86/12/1071668612.db2.gz LCYCAJPAENZDJO-UHFFFAOYSA-N 2 2 490.052 1.921 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1CC[NH+]1CCSCC1 ZINC001503448501 1071768033 /nfs/dbraw/zinc/76/80/33/1071768033.db2.gz FOTXHLIABYIXNZ-SFHVURJKSA-N 2 2 465.668 1.073 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001503448647 1071768648 /nfs/dbraw/zinc/76/86/48/1071768648.db2.gz GZMBMCQUTOBTSO-HXUWFJFHSA-N 2 2 464.655 1.687 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc([C@@H]2CCOC2)n1CC[N@H+]1CCOCC1(C)C ZINC001503448647 1071768669 /nfs/dbraw/zinc/76/86/69/1071768669.db2.gz GZMBMCQUTOBTSO-HXUWFJFHSA-N 2 2 464.655 1.687 20 0 JDADLP CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccnc2)n1CCC[NH+]1CCOCC1 ZINC001503450901 1071774704 /nfs/dbraw/zinc/77/47/04/1071774704.db2.gz ZHOHPXJQTIBCJX-UHFFFAOYSA-N 2 2 457.623 1.857 20 0 JDADLP COCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC001504903279 1071839838 /nfs/dbraw/zinc/83/98/38/1071839838.db2.gz JJDQUXNBNRALRJ-UHFFFAOYSA-N 2 2 484.580 1.866 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001504910521 1071864509 /nfs/dbraw/zinc/86/45/09/1071864509.db2.gz LJIFMGGKCUYQOY-UHFFFAOYSA-N 2 2 458.607 1.833 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001504911252 1071866956 /nfs/dbraw/zinc/86/69/56/1071866956.db2.gz UGFIHAUEKIPAPI-LGVFNWMJSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001504911252 1071866960 /nfs/dbraw/zinc/86/69/60/1071866960.db2.gz UGFIHAUEKIPAPI-LGVFNWMJSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001504911252 1071866963 /nfs/dbraw/zinc/86/69/63/1071866963.db2.gz UGFIHAUEKIPAPI-LGVFNWMJSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001504911252 1071866967 /nfs/dbraw/zinc/86/69/67/1071866967.db2.gz UGFIHAUEKIPAPI-LGVFNWMJSA-N 2 2 480.654 1.196 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001504911526 1071867817 /nfs/dbraw/zinc/86/78/17/1071867817.db2.gz VNBIBLCMXLKFEM-WMZHIEFXSA-N 2 2 461.611 1.681 20 0 JDADLP COCC[N@H+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cc[nH+]c2C)C[C@@H]1C ZINC001504911526 1071867819 /nfs/dbraw/zinc/86/78/19/1071867819.db2.gz VNBIBLCMXLKFEM-WMZHIEFXSA-N 2 2 461.611 1.681 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001504911755 1071868939 /nfs/dbraw/zinc/86/89/39/1071868939.db2.gz CWAQZJZATGETFH-UHFFFAOYSA-N 2 2 477.057 1.788 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001504911755 1071868945 /nfs/dbraw/zinc/86/89/45/1071868945.db2.gz CWAQZJZATGETFH-UHFFFAOYSA-N 2 2 477.057 1.788 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504911755 1071868949 /nfs/dbraw/zinc/86/89/49/1071868949.db2.gz CWAQZJZATGETFH-UHFFFAOYSA-N 2 2 477.057 1.788 20 0 JDADLP COCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001504911755 1071868953 /nfs/dbraw/zinc/86/89/53/1071868953.db2.gz CWAQZJZATGETFH-UHFFFAOYSA-N 2 2 477.057 1.788 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504914182 1071874223 /nfs/dbraw/zinc/87/42/23/1071874223.db2.gz RLUPIZXLEHNCRX-UXHICEINSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504914182 1071874227 /nfs/dbraw/zinc/87/42/27/1071874227.db2.gz RLUPIZXLEHNCRX-UXHICEINSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504914186 1071874284 /nfs/dbraw/zinc/87/42/84/1071874284.db2.gz RLUPIZXLEHNCRX-WOJBJXKFSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001504914186 1071874288 /nfs/dbraw/zinc/87/42/88/1071874288.db2.gz RLUPIZXLEHNCRX-WOJBJXKFSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504914180 1071874423 /nfs/dbraw/zinc/87/44/23/1071874423.db2.gz RLUPIZXLEHNCRX-PMACEKPBSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504914180 1071874424 /nfs/dbraw/zinc/87/44/24/1071874424.db2.gz RLUPIZXLEHNCRX-PMACEKPBSA-N 2 2 458.607 1.831 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919082 1071888543 /nfs/dbraw/zinc/88/85/43/1071888543.db2.gz YAHVCODKXRDSHC-PMACEKPBSA-N 2 2 476.025 1.954 20 0 JDADLP COCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC001504919083 1071888615 /nfs/dbraw/zinc/88/86/15/1071888615.db2.gz YAHVCODKXRDSHC-UXHICEINSA-N 2 2 476.025 1.954 20 0 JDADLP C[N@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC001503610511 1071894378 /nfs/dbraw/zinc/89/43/78/1071894378.db2.gz GLICOOBQCUGSIR-SFHVURJKSA-N 2 2 452.669 1.975 20 0 JDADLP C[N@@H+](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC001503610511 1071894382 /nfs/dbraw/zinc/89/43/82/1071894382.db2.gz GLICOOBQCUGSIR-SFHVURJKSA-N 2 2 452.669 1.975 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504923662 1071903791 /nfs/dbraw/zinc/90/37/91/1071903791.db2.gz TVLCSGFSDQXONC-PMACEKPBSA-N 2 2 460.598 1.886 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504923662 1071903809 /nfs/dbraw/zinc/90/38/09/1071903809.db2.gz TVLCSGFSDQXONC-PMACEKPBSA-N 2 2 460.598 1.886 20 0 JDADLP CN(CC[NH+]1CCOCC1)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC(F)(F)F ZINC001503621261 1071915335 /nfs/dbraw/zinc/91/53/35/1071915335.db2.gz MVLBNAGWZYNNSX-UHFFFAOYSA-N 2 2 481.567 1.974 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504926429 1071917809 /nfs/dbraw/zinc/91/78/09/1071917809.db2.gz QYZBKOKHGSIBAB-LEWJYISDSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504926429 1071917824 /nfs/dbraw/zinc/91/78/24/1071917824.db2.gz QYZBKOKHGSIBAB-LEWJYISDSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504926429 1071917842 /nfs/dbraw/zinc/91/78/42/1071917842.db2.gz QYZBKOKHGSIBAB-LEWJYISDSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001504926429 1071917854 /nfs/dbraw/zinc/91/78/54/1071917854.db2.gz QYZBKOKHGSIBAB-LEWJYISDSA-N 2 2 460.627 1.017 20 0 JDADLP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001504927498 1071923384 /nfs/dbraw/zinc/92/33/84/1071923384.db2.gz XLTBOEBJZDYSMJ-RTBURBONSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001504927498 1071923396 /nfs/dbraw/zinc/92/33/96/1071923396.db2.gz XLTBOEBJZDYSMJ-RTBURBONSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001504927498 1071923407 /nfs/dbraw/zinc/92/34/07/1071923407.db2.gz XLTBOEBJZDYSMJ-RTBURBONSA-N 2 2 491.662 1.147 20 0 JDADLP COCC[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001504927498 1071923419 /nfs/dbraw/zinc/92/34/19/1071923419.db2.gz XLTBOEBJZDYSMJ-RTBURBONSA-N 2 2 491.662 1.147 20 0 JDADLP COCCO[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CCn1cc[nH+]c1C ZINC001504945382 1071988796 /nfs/dbraw/zinc/98/87/96/1071988796.db2.gz NKFPTPDIWVVNBH-NNMXDRDESA-N 2 2 488.637 1.196 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504960911 1072005388 /nfs/dbraw/zinc/00/53/88/1072005388.db2.gz BMMXZNSAFRPUIV-HBMCJLEFSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[C@H]([NH+]3CCCCC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504960911 1072005399 /nfs/dbraw/zinc/00/53/99/1072005399.db2.gz BMMXZNSAFRPUIV-HBMCJLEFSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001504987492 1072039539 /nfs/dbraw/zinc/03/95/39/1072039539.db2.gz JVJZHTLKBOUEIM-FQEVSTJZSA-N 2 2 473.622 1.812 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504998665 1072074806 /nfs/dbraw/zinc/07/48/06/1072074806.db2.gz ORHFIDWOIHKMGJ-WOJBJXKFSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001504998665 1072074812 /nfs/dbraw/zinc/07/48/12/1072074812.db2.gz ORHFIDWOIHKMGJ-WOJBJXKFSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001504998665 1072074829 /nfs/dbraw/zinc/07/48/29/1072074829.db2.gz ORHFIDWOIHKMGJ-WOJBJXKFSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001504998665 1072074844 /nfs/dbraw/zinc/07/48/44/1072074844.db2.gz ORHFIDWOIHKMGJ-WOJBJXKFSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001504998662 1072075037 /nfs/dbraw/zinc/07/50/37/1072075037.db2.gz ORHFIDWOIHKMGJ-VQTJNVASSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001504998662 1072075046 /nfs/dbraw/zinc/07/50/46/1072075046.db2.gz ORHFIDWOIHKMGJ-VQTJNVASSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001504998662 1072075058 /nfs/dbraw/zinc/07/50/58/1072075058.db2.gz ORHFIDWOIHKMGJ-VQTJNVASSA-N 2 2 450.628 1.787 20 0 JDADLP COCCO[C@@H](C)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC[NH+]1CCOCC1(C)C ZINC001504998662 1072075070 /nfs/dbraw/zinc/07/50/70/1072075070.db2.gz ORHFIDWOIHKMGJ-VQTJNVASSA-N 2 2 450.628 1.787 20 0 JDADLP Cc1ccc(-c2ccc(C(=O)N(C)C3CC[NH+](CC(=O)N4CC[NH+](C)CC4)CC3)cc2)nn1 ZINC001464841829 1067671567 /nfs/dbraw/zinc/67/15/67/1067671567.db2.gz AWWMGODUCZWICH-UHFFFAOYSA-N 2 2 450.587 1.762 20 0 JDADLP CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464845176 1067673008 /nfs/dbraw/zinc/67/30/08/1067673008.db2.gz OTGJXAVMIKAVCC-FQEVSTJZSA-N 2 2 453.628 1.233 20 0 JDADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1-c1cnn(C)c1 ZINC001464844227 1067673221 /nfs/dbraw/zinc/67/32/21/1067673221.db2.gz KDMKNKDIQNJXQK-UHFFFAOYSA-N 2 2 452.603 1.706 20 0 JDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc4ncc(I)n4c3)C2)CC1 ZINC001464998812 1067723441 /nfs/dbraw/zinc/72/34/41/1067723441.db2.gz BCFXJRLLMADLRP-CQSZACIVSA-N 2 2 453.328 1.837 20 0 JDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc4ncc(I)n4c3)C2)CC1 ZINC001464998812 1067723452 /nfs/dbraw/zinc/72/34/52/1067723452.db2.gz BCFXJRLLMADLRP-CQSZACIVSA-N 2 2 453.328 1.837 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000393 1067724459 /nfs/dbraw/zinc/72/44/59/1067724459.db2.gz FCVFMRIKVUHIPR-MSOLQXFVSA-N 2 2 454.662 1.742 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000393 1067724469 /nfs/dbraw/zinc/72/44/69/1067724469.db2.gz FCVFMRIKVUHIPR-MSOLQXFVSA-N 2 2 454.662 1.742 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000403 1067724910 /nfs/dbraw/zinc/72/49/10/1067724910.db2.gz FCVFMRIKVUHIPR-ZWKOTPCHSA-N 2 2 454.662 1.742 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000403 1067724922 /nfs/dbraw/zinc/72/49/22/1067724922.db2.gz FCVFMRIKVUHIPR-ZWKOTPCHSA-N 2 2 454.662 1.742 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000400 1067725023 /nfs/dbraw/zinc/72/50/23/1067725023.db2.gz FCVFMRIKVUHIPR-ROUUACIJSA-N 2 2 454.662 1.742 20 0 JDADLP Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000400 1067725032 /nfs/dbraw/zinc/72/50/32/1067725032.db2.gz FCVFMRIKVUHIPR-ROUUACIJSA-N 2 2 454.662 1.742 20 0 JDADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C[N@H+](C)C2CCC2)c1 ZINC001465064157 1067736941 /nfs/dbraw/zinc/73/69/41/1067736941.db2.gz YJWSDWSEFLDBRM-UHFFFAOYSA-N 2 2 451.637 1.892 20 0 JDADLP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC001465064157 1067736955 /nfs/dbraw/zinc/73/69/55/1067736955.db2.gz YJWSDWSEFLDBRM-UHFFFAOYSA-N 2 2 451.637 1.892 20 0 JDADLP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC001465804383 1067832088 /nfs/dbraw/zinc/83/20/88/1067832088.db2.gz MNGPDAXPDUOJPE-UHFFFAOYSA-N 2 2 458.651 1.931 20 0 JDADLP CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(CC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC001465804383 1067832090 /nfs/dbraw/zinc/83/20/90/1067832090.db2.gz MNGPDAXPDUOJPE-UHFFFAOYSA-N 2 2 458.651 1.931 20 0 JDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001467604743 1068036209 /nfs/dbraw/zinc/03/62/09/1068036209.db2.gz ZIJFPESVEUUAKZ-DHLKQENFSA-N 2 2 456.679 1.992 20 0 JDADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001468501260 1068300086 /nfs/dbraw/zinc/30/00/86/1068300086.db2.gz SJAWNQKPRBLPGJ-QUCCMNQESA-N 2 2 451.587 1.363 20 0 JDADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863666 1068382375 /nfs/dbraw/zinc/38/23/75/1068382375.db2.gz SNVWMUUMSXJQOY-YZGWKJHDSA-N 2 2 451.999 1.598 20 0 JDADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863666 1068382394 /nfs/dbraw/zinc/38/23/94/1068382394.db2.gz SNVWMUUMSXJQOY-YZGWKJHDSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863666 1068382415 /nfs/dbraw/zinc/38/24/15/1068382415.db2.gz SNVWMUUMSXJQOY-YZGWKJHDSA-N 2 2 451.999 1.598 20 0 JDADLP C[NH+]1CCO[C@H]([C@H](NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccc(Cl)cc2)C1 ZINC001468863666 1068382437 /nfs/dbraw/zinc/38/24/37/1068382437.db2.gz SNVWMUUMSXJQOY-YZGWKJHDSA-N 2 2 451.999 1.598 20 0 JDADLP COc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2=O)c(OC)c1 ZINC001468871501 1068384248 /nfs/dbraw/zinc/38/42/48/1068384248.db2.gz BNCBCEHUHDONKK-GHTZIAJQSA-N 2 2 459.591 1.272 20 0 JDADLP COc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2=O)c(OC)c1 ZINC001468871501 1068384271 /nfs/dbraw/zinc/38/42/71/1068384271.db2.gz BNCBCEHUHDONKK-GHTZIAJQSA-N 2 2 459.591 1.272 20 0 JDADLP COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001468873597 1068384871 /nfs/dbraw/zinc/38/48/71/1068384871.db2.gz SPUDJIBMRDKJCZ-IBGZPJMESA-N 2 2 458.607 1.129 20 0 JDADLP COc1ccccc1NC(=O)CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC001468873597 1068384893 /nfs/dbraw/zinc/38/48/93/1068384893.db2.gz SPUDJIBMRDKJCZ-IBGZPJMESA-N 2 2 458.607 1.129 20 0 JDADLP C[C@@H](CNC(=O)NCCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC001468996416 1068419471 /nfs/dbraw/zinc/41/94/71/1068419471.db2.gz WFKCDSZSHHHANE-FQEVSTJZSA-N 2 2 455.644 1.977 20 0 JDADLP CN(C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001469025269 1068429141 /nfs/dbraw/zinc/42/91/41/1068429141.db2.gz HWCRNYGMIWRBEN-NJYVYQBISA-N 2 2 459.639 1.894 20 0 JDADLP CN(C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001469025269 1068429154 /nfs/dbraw/zinc/42/91/54/1068429154.db2.gz HWCRNYGMIWRBEN-NJYVYQBISA-N 2 2 459.639 1.894 20 0 JDADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC001469154835 1068452914 /nfs/dbraw/zinc/45/29/14/1068452914.db2.gz TXDMYCHTRAYIIM-UHFFFAOYSA-N 2 2 459.639 1.903 20 0 JDADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001469154835 1068452936 /nfs/dbraw/zinc/45/29/36/1068452936.db2.gz TXDMYCHTRAYIIM-UHFFFAOYSA-N 2 2 459.639 1.903 20 0 JDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783644 1068588395 /nfs/dbraw/zinc/58/83/95/1068588395.db2.gz SYROTUQNENIJET-UXHICEINSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783644 1068588432 /nfs/dbraw/zinc/58/84/32/1068588432.db2.gz SYROTUQNENIJET-UXHICEINSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783646 1068588584 /nfs/dbraw/zinc/58/85/84/1068588584.db2.gz SYROTUQNENIJET-WOJBJXKFSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CCCO1 ZINC001469783646 1068588616 /nfs/dbraw/zinc/58/86/16/1068588616.db2.gz SYROTUQNENIJET-WOJBJXKFSA-N 2 2 453.628 1.824 20 0 JDADLP C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001470093685 1068691141 /nfs/dbraw/zinc/69/11/41/1068691141.db2.gz ICLNOJBYUQTABH-CVDCTZTESA-N 2 2 453.591 1.836 20 0 JDADLP C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC001470093685 1068691173 /nfs/dbraw/zinc/69/11/73/1068691173.db2.gz ICLNOJBYUQTABH-CVDCTZTESA-N 2 2 453.591 1.836 20 0 JDADLP CN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001470148309 1068710399 /nfs/dbraw/zinc/71/03/99/1068710399.db2.gz UPYGOQMPEGMVAD-VQTJNVASSA-N 2 2 453.628 1.822 20 0 JDADLP CN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001470148309 1068710415 /nfs/dbraw/zinc/71/04/15/1068710415.db2.gz UPYGOQMPEGMVAD-VQTJNVASSA-N 2 2 453.628 1.822 20 0 JDADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001470530858 1068776745 /nfs/dbraw/zinc/77/67/45/1068776745.db2.gz JFJXLXYZODNEFI-QFIPXVFZSA-N 2 2 459.635 1.862 20 0 JDADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001470530858 1068776761 /nfs/dbraw/zinc/77/67/61/1068776761.db2.gz JFJXLXYZODNEFI-QFIPXVFZSA-N 2 2 459.635 1.862 20 0 JDADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825025 /nfs/dbraw/zinc/82/50/25/1068825025.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825028 /nfs/dbraw/zinc/82/50/28/1068825028.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825032 /nfs/dbraw/zinc/82/50/32/1068825032.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 2 451.615 1.739 20 0 JDADLP CN1CC[NH+](Cc2ccccc2)[C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001470936755 1068825035 /nfs/dbraw/zinc/82/50/35/1068825035.db2.gz ULSGMUGYQFZFCQ-RSXGOPAZSA-N 2 2 451.615 1.739 20 0 JDADLP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123872 1068837671 /nfs/dbraw/zinc/83/76/71/1068837671.db2.gz BNFOACKVVLAIAW-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC001471123872 1068837672 /nfs/dbraw/zinc/83/76/72/1068837672.db2.gz BNFOACKVVLAIAW-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001471123872 1068837673 /nfs/dbraw/zinc/83/76/73/1068837673.db2.gz BNFOACKVVLAIAW-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP Cc1ccccc1C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001471123872 1068837677 /nfs/dbraw/zinc/83/76/77/1068837677.db2.gz BNFOACKVVLAIAW-BJKOFHAPSA-N 2 2 459.635 1.292 20 0 JDADLP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001499642659 1069024029 /nfs/dbraw/zinc/02/40/29/1069024029.db2.gz PYIQTACIZSDOAT-AABGKKOBSA-N 2 2 473.622 1.859 20 0 JDADLP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC001499712176 1069046632 /nfs/dbraw/zinc/04/66/32/1069046632.db2.gz SLSSIIJDTDGRBN-FYYLOGMGSA-N 2 2 470.666 1.913 20 0 JDADLP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC[N@H+]1CCOC ZINC001499712176 1069046662 /nfs/dbraw/zinc/04/66/62/1069046662.db2.gz SLSSIIJDTDGRBN-FYYLOGMGSA-N 2 2 470.666 1.913 20 0 JDADLP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC[N@@H+]1CCOC ZINC001499712181 1069046720 /nfs/dbraw/zinc/04/67/20/1069046720.db2.gz SLSSIIJDTDGRBN-JTHBVZDNSA-N 2 2 470.666 1.913 20 0 JDADLP CC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC[N@H+]1CCOC ZINC001499712181 1069046740 /nfs/dbraw/zinc/04/67/40/1069046740.db2.gz SLSSIIJDTDGRBN-JTHBVZDNSA-N 2 2 470.666 1.913 20 0 JDADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473207507 1069094891 /nfs/dbraw/zinc/09/48/91/1069094891.db2.gz UGMIHAFRXPKIAJ-OAQYLSRUSA-N 3 2 457.667 1.642 20 0 JDADLP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001473207507 1069094896 /nfs/dbraw/zinc/09/48/96/1069094896.db2.gz UGMIHAFRXPKIAJ-OAQYLSRUSA-N 3 2 457.667 1.642 20 0 JDADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219977 1069097341 /nfs/dbraw/zinc/09/73/41/1069097341.db2.gz OUXZKJREMJILLF-LPHOPBHVSA-N 2 2 456.559 1.214 20 0 JDADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219977 1069097356 /nfs/dbraw/zinc/09/73/56/1069097356.db2.gz OUXZKJREMJILLF-LPHOPBHVSA-N 2 2 456.559 1.214 20 0 JDADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219977 1069097367 /nfs/dbraw/zinc/09/73/67/1069097367.db2.gz OUXZKJREMJILLF-LPHOPBHVSA-N 2 2 456.559 1.214 20 0 JDADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)CC[C@@H]21 ZINC001473219977 1069097376 /nfs/dbraw/zinc/09/73/76/1069097376.db2.gz OUXZKJREMJILLF-LPHOPBHVSA-N 2 2 456.559 1.214 20 0 JDADLP CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC001473234471 1069102718 /nfs/dbraw/zinc/10/27/18/1069102718.db2.gz SBFXDFWYCCZMKZ-UHFFFAOYSA-N 2 2 450.649 1.775 20 0 JDADLP CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC001473234471 1069102731 /nfs/dbraw/zinc/10/27/31/1069102731.db2.gz SBFXDFWYCCZMKZ-UHFFFAOYSA-N 2 2 450.649 1.775 20 0 JDADLP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001473248524 1069106048 /nfs/dbraw/zinc/10/60/48/1069106048.db2.gz UOKUMWFBXHMJDR-FPOVZHCZSA-N 2 2 458.603 1.549 20 0 JDADLP COC(=O)c1cn([C@H]2CCC[N@H+](CC(=O)N3CCC[NH+](Cc4ccccc4C)CC3)C2)nn1 ZINC001473355092 1069130756 /nfs/dbraw/zinc/13/07/56/1069130756.db2.gz PDVSTWGYSRUFEV-NRFANRHFSA-N 2 2 454.575 1.745 20 0 JDADLP COC(=O)c1cn([C@H]2CCC[N@@H+](CC(=O)N3CCC[NH+](Cc4ccccc4C)CC3)C2)nn1 ZINC001473355092 1069130763 /nfs/dbraw/zinc/13/07/63/1069130763.db2.gz PDVSTWGYSRUFEV-NRFANRHFSA-N 2 2 454.575 1.745 20 0 JDADLP COC(=O)c1cn([C@H]2CCC[NH+](CC(=O)N3CCC[N@H+](Cc4ccccc4C)CC3)C2)nn1 ZINC001473355092 1069130766 /nfs/dbraw/zinc/13/07/66/1069130766.db2.gz PDVSTWGYSRUFEV-NRFANRHFSA-N 2 2 454.575 1.745 20 0 JDADLP COC(=O)c1cn([C@H]2CCC[NH+](CC(=O)N3CCC[N@@H+](Cc4ccccc4C)CC3)C2)nn1 ZINC001473355092 1069130771 /nfs/dbraw/zinc/13/07/71/1069130771.db2.gz PDVSTWGYSRUFEV-NRFANRHFSA-N 2 2 454.575 1.745 20 0 JDADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001473427782 1069146178 /nfs/dbraw/zinc/14/61/78/1069146178.db2.gz JYQKTDLNQRAJKU-KRWDZBQOSA-N 2 2 459.616 1.794 20 0 JDADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473461772 1069157272 /nfs/dbraw/zinc/15/72/72/1069157272.db2.gz CBYPRJVHKRCCLK-IBGZPJMESA-N 2 2 459.616 1.411 20 0 JDADLP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473461772 1069157277 /nfs/dbraw/zinc/15/72/77/1069157277.db2.gz CBYPRJVHKRCCLK-IBGZPJMESA-N 2 2 459.616 1.411 20 0 JDADLP CCC[N@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001500728819 1069306380 /nfs/dbraw/zinc/30/63/80/1069306380.db2.gz ZHUULTMGPRSAJJ-HSZRJFAPSA-N 2 2 485.681 1.472 20 0 JDADLP CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001500728819 1069306396 /nfs/dbraw/zinc/30/63/96/1069306396.db2.gz ZHUULTMGPRSAJJ-HSZRJFAPSA-N 2 2 485.681 1.472 20 0 JDADLP C[C@@H]1C[N@@H+](CCN(C)c2nnc(-c3cnccn3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289693 1072473890 /nfs/dbraw/zinc/47/38/90/1072473890.db2.gz DISPSLIBTRTPQH-BGYRXZFFSA-N 2 2 471.654 1.307 20 0 JDADLP C[C@@H]1C[N@H+](CCN(C)c2nnc(-c3cnccn3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289693 1072473894 /nfs/dbraw/zinc/47/38/94/1072473894.db2.gz DISPSLIBTRTPQH-BGYRXZFFSA-N 2 2 471.654 1.307 20 0 JDADLP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cnccn3)n2CCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289693 1072473897 /nfs/dbraw/zinc/47/38/97/1072473897.db2.gz DISPSLIBTRTPQH-BGYRXZFFSA-N 2 2 471.654 1.307 20 0 JDADLP C[C@@H]1C[NH+](CCN(C)c2nnc(-c3cnccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC001505289693 1072473902 /nfs/dbraw/zinc/47/39/02/1072473902.db2.gz DISPSLIBTRTPQH-BGYRXZFFSA-N 2 2 471.654 1.307 20 0 JDADLP CC(=O)N1CC[NH+](CCn2c(Cc3c(F)cccc3F)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001508276367 1073048949 /nfs/dbraw/zinc/04/89/49/1073048949.db2.gz AWNRDUBJHAJOQX-UHFFFAOYSA-N 2 2 475.588 1.842 20 0 JDADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508276853 1073049402 /nfs/dbraw/zinc/04/94/02/1073049402.db2.gz WPCJGAAHAIGPMS-IRLDBZIGSA-N 2 2 475.682 1.576 20 0 JDADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508276855 1073049610 /nfs/dbraw/zinc/04/96/10/1073049610.db2.gz WPCJGAAHAIGPMS-UNMCSNQZSA-N 2 2 475.682 1.576 20 0 JDADLP CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCC[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508277497 1073051092 /nfs/dbraw/zinc/05/10/92/1073051092.db2.gz XLUDTKURTFAHSL-IRLDBZIGSA-N 2 2 461.655 1.188 20 0 JDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCCO3)n2CCOCC[NH+](C)C)CC1 ZINC001508429972 1073225199 /nfs/dbraw/zinc/22/51/99/1073225199.db2.gz BXGVAZPZCGTCOZ-NHCUHLMSSA-N 2 2 477.654 1.231 20 0 JDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCC[NH+](C)C)CC1 ZINC001508429977 1073225615 /nfs/dbraw/zinc/22/56/15/1073225615.db2.gz BXGVAZPZCGTCOZ-SFTDATJTSA-N 2 2 477.654 1.231 20 0 JDADLP CC(C)[NH+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)C(C)C ZINC001508431715 1073227819 /nfs/dbraw/zinc/22/78/19/1073227819.db2.gz GDJIZKMRGSFMDN-LEWJYISDSA-N 2 2 488.681 1.481 20 0 JDADLP CC(C)(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001508612403 1073286013 /nfs/dbraw/zinc/28/60/13/1073286013.db2.gz DNVATORSHGXVPW-UHFFFAOYSA-N 2 2 461.655 1.936 20 0 JDADLP CC(C)(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001508612403 1073286019 /nfs/dbraw/zinc/28/60/19/1073286019.db2.gz DNVATORSHGXVPW-UHFFFAOYSA-N 2 2 461.655 1.936 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001509014089 1073477474 /nfs/dbraw/zinc/47/74/74/1073477474.db2.gz OGYSFGZQNAXLFD-HSZRJFAPSA-N 2 2 490.741 1.659 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)n1CCN1CC[NH+](C)C(C)(C)C1 ZINC001509014089 1073477483 /nfs/dbraw/zinc/47/74/83/1073477483.db2.gz OGYSFGZQNAXLFD-HSZRJFAPSA-N 2 2 490.741 1.659 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001509014089 1073477489 /nfs/dbraw/zinc/47/74/89/1073477489.db2.gz OGYSFGZQNAXLFD-HSZRJFAPSA-N 2 2 490.741 1.659 20 0 JDADLP CC(C)c1nnc(N2CCN(C[C@@H]3C[NH+](C(C)C)CCO3)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001509014089 1073477495 /nfs/dbraw/zinc/47/74/95/1073477495.db2.gz OGYSFGZQNAXLFD-HSZRJFAPSA-N 2 2 490.741 1.659 20 0 JDADLP CC(C)C[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001509108486 1073503664 /nfs/dbraw/zinc/50/36/64/1073503664.db2.gz BBIJCQKGTIWBTR-SFTDATJTSA-N 2 2 483.665 1.844 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001509406373 1073585307 /nfs/dbraw/zinc/58/53/07/1073585307.db2.gz UVYQEOYUFGNPSW-XUZZJYLKSA-N 2 2 464.655 1.817 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001509406373 1073585320 /nfs/dbraw/zinc/58/53/20/1073585320.db2.gz UVYQEOYUFGNPSW-XUZZJYLKSA-N 2 2 464.655 1.817 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001509428933 1073604537 /nfs/dbraw/zinc/60/45/37/1073604537.db2.gz NPMLLNMZFBOGMQ-GHTZIAJQSA-N 2 2 470.709 1.396 20 0 JDADLP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001509428954 1073604756 /nfs/dbraw/zinc/60/47/56/1073604756.db2.gz NPMLLNMZFBOGMQ-RXVVDRJESA-N 2 2 470.709 1.396 20 0 JDADLP CC(C)[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001509514680 1073659254 /nfs/dbraw/zinc/65/92/54/1073659254.db2.gz RODVMIFRMBLRKC-NRFANRHFSA-N 2 2 483.665 1.988 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001509514680 1073659260 /nfs/dbraw/zinc/65/92/60/1073659260.db2.gz RODVMIFRMBLRKC-NRFANRHFSA-N 2 2 483.665 1.988 20 0 JDADLP CC(C)[N@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001509517956 1073661368 /nfs/dbraw/zinc/66/13/68/1073661368.db2.gz XMLPZEKVYNBMPW-IBGZPJMESA-N 2 2 454.623 1.860 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001509517956 1073661378 /nfs/dbraw/zinc/66/13/78/1073661378.db2.gz XMLPZEKVYNBMPW-IBGZPJMESA-N 2 2 454.623 1.860 20 0 JDADLP CC(C)[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509518385 1073662201 /nfs/dbraw/zinc/66/22/01/1073662201.db2.gz HIUXTJLATVFMBC-NHCUHLMSSA-N 2 2 461.655 1.993 20 0 JDADLP CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001509518385 1073662223 /nfs/dbraw/zinc/66/22/23/1073662223.db2.gz HIUXTJLATVFMBC-NHCUHLMSSA-N 2 2 461.655 1.993 20 0 JDADLP CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC[N@H+](C)C(C)C)CC2)C1 ZINC001509526490 1073667098 /nfs/dbraw/zinc/66/70/98/1073667098.db2.gz KTWZAKYROZXUDE-NRFANRHFSA-N 2 2 458.655 1.845 20 0 JDADLP CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC[N@@H+](C)C(C)C)CC2)C1 ZINC001509526490 1073667102 /nfs/dbraw/zinc/66/71/02/1073667102.db2.gz KTWZAKYROZXUDE-NRFANRHFSA-N 2 2 458.655 1.845 20 0 JDADLP CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC[N@H+](C)C(C)C)CC2)C1 ZINC001509526493 1073667355 /nfs/dbraw/zinc/66/73/55/1073667355.db2.gz KTWZAKYROZXUDE-OAQYLSRUSA-N 2 2 458.655 1.845 20 0 JDADLP CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4ccc[nH]4)n3CC[N@@H+](C)C(C)C)CC2)C1 ZINC001509526493 1073667367 /nfs/dbraw/zinc/66/73/67/1073667367.db2.gz KTWZAKYROZXUDE-OAQYLSRUSA-N 2 2 458.655 1.845 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CC[C@H]3[NH2+]CC[C@@H]31)nc2N1CCOCC1 ZINC001164411162 718875629 /nfs/dbraw/zinc/87/56/29/718875629.db2.gz NLGYEUFFCWZYCU-UZKOGDIHSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CC[C@H]3[NH2+]CC[C@@H]31)nc2N1CCOCC1 ZINC001164411162 718875633 /nfs/dbraw/zinc/87/56/33/718875633.db2.gz NLGYEUFFCWZYCU-UZKOGDIHSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CC[C@H]3[NH2+]CC[C@H]31)nc2N1CCOCC1 ZINC001164411161 718875726 /nfs/dbraw/zinc/87/57/26/718875726.db2.gz NLGYEUFFCWZYCU-SYYKKAFVSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CC[C@H]3[NH2+]CC[C@H]31)nc2N1CCOCC1 ZINC001164411161 718875731 /nfs/dbraw/zinc/87/57/31/718875731.db2.gz NLGYEUFFCWZYCU-SYYKKAFVSA-N 2 2 499.685 1.375 20 0 JDADLP [NH3+][C@]12C[C@H]1CCN(c1nc3cc(C[NH+]4CCN([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164421416 718895948 /nfs/dbraw/zinc/89/59/48/718895948.db2.gz QMBCZQXEZFXLLW-RRQZXNHTSA-N 2 2 499.685 1.362 20 0 JDADLP [NH3+][C@]12C[C@H]1CCN(c1nc3cc(CN4CC[NH+]([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n1)C2 ZINC001164421416 718895952 /nfs/dbraw/zinc/89/59/52/718895952.db2.gz QMBCZQXEZFXLLW-RRQZXNHTSA-N 2 2 499.685 1.362 20 0 JDADLP c1c(C[NH+]2CCN([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@H]3[NH2+]C[C@H]31)nc2N1CCOCC1 ZINC001164447119 718999562 /nfs/dbraw/zinc/99/95/62/718999562.db2.gz AWOZQHSXEOCSDE-SYYKKAFVSA-N 2 2 499.685 1.375 20 0 JDADLP c1c(CN2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1nc(N1CCC[C@H]3[NH2+]C[C@H]31)nc2N1CCOCC1 ZINC001164447119 718999571 /nfs/dbraw/zinc/99/95/71/718999571.db2.gz AWOZQHSXEOCSDE-SYYKKAFVSA-N 2 2 499.685 1.375 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCC(C5C[NH2+]C5)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164614566 719037128 /nfs/dbraw/zinc/03/71/28/719037128.db2.gz CZQYASZPDWQDCO-UHFFFAOYSA-N 2 2 471.675 1.711 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4C[C@H](CF)[C@@H](C5([NH3+])CC5)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001164624160 719121073 /nfs/dbraw/zinc/12/10/73/719121073.db2.gz UHKOBSASBDSAHY-HKUYNNGSSA-N 2 2 489.665 1.789 20 0 JDADLP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4ccc(N5CC[NH+](C)CC5)nn4)C3)C2)cc[nH+]1 ZINC001164664872 719356820 /nfs/dbraw/zinc/35/68/20/719356820.db2.gz RBSIFYOWVZABGY-XMMPIXPASA-N 2 2 467.622 1.208 20 0 JDADLP CN(C)c1nc(N2CCOC[C@@]3(CCCN(c4ccnc(N5CC[NH+](C)CC5)n4)C3)C2)cc[nH+]1 ZINC001164664177 719357498 /nfs/dbraw/zinc/35/74/98/719357498.db2.gz LNXZXKPEPZLRGG-XMMPIXPASA-N 2 2 467.622 1.208 20 0 JDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[C@@H](C(=O)NCCc5ccccn5)O[C@@H]4C3)[nH+]2)CC1 ZINC001164702685 719819344 /nfs/dbraw/zinc/81/93/44/719819344.db2.gz SXJNPRHAUDYZMI-BAGYTPMASA-N 2 2 450.587 1.571 20 0 JDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)CC2 ZINC001164702408 720048414 /nfs/dbraw/zinc/04/84/14/720048414.db2.gz FXAJQEOEFSCVFW-UHFFFAOYSA-N 2 2 458.998 1.281 20 0 JDADLP COCc1nn(-c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)c2c1C[NH2+]C2 ZINC001164715154 720079150 /nfs/dbraw/zinc/07/91/50/720079150.db2.gz ZDTCWLBOZQBQGL-UHFFFAOYSA-N 2 2 484.630 1.211 20 0 JDADLP COCc1nn(-c2nc3cc(CN4CC[NH+](C)CC4)sc3c(N3CCOCC3)n2)c2c1C[NH2+]C2 ZINC001164715154 720079156 /nfs/dbraw/zinc/07/91/56/720079156.db2.gz ZDTCWLBOZQBQGL-UHFFFAOYSA-N 2 2 484.630 1.211 20 0 JDADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714630 720150603 /nfs/dbraw/zinc/15/06/03/720150603.db2.gz XSDLAPPPEFVAKC-SFTDATJTSA-N 2 2 465.602 1.833 20 0 JDADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164714630 720150609 /nfs/dbraw/zinc/15/06/09/720150609.db2.gz XSDLAPPPEFVAKC-SFTDATJTSA-N 2 2 465.602 1.833 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)n2)CC1 ZINC001164717606 720190797 /nfs/dbraw/zinc/19/07/97/720190797.db2.gz VCULPAIHGBYCSO-FQEVSTJZSA-N 2 2 484.605 1.211 20 0 JDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC3)C2=O)cs1 ZINC001164823076 720358996 /nfs/dbraw/zinc/35/89/96/720358996.db2.gz ACDHVNQGPZBVDW-UHFFFAOYSA-N 2 2 462.023 1.854 20 0 JDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)CC3)C2=O)cs1 ZINC001164823076 720359001 /nfs/dbraw/zinc/35/90/01/720359001.db2.gz ACDHVNQGPZBVDW-UHFFFAOYSA-N 2 2 462.023 1.854 20 0 JDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164830665 720466845 /nfs/dbraw/zinc/46/68/45/720466845.db2.gz KQCLIEIRPMBIDI-LJQANCHMSA-N 3 2 455.607 1.195 20 0 JDADLP COC(=O)[C@@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001164726824 720515125 /nfs/dbraw/zinc/51/51/25/720515125.db2.gz DZXAKSMJZWAYOE-MMOPVJDHSA-N 2 2 495.584 1.315 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001164726816 720515162 /nfs/dbraw/zinc/51/51/62/720515162.db2.gz DZXAKSMJZWAYOE-BLIXFSHQSA-N 2 2 495.584 1.315 20 0 JDADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2Cc3nccn3C[C@H](C[NH+](C)C)C2)C[NH2+]1 ZINC001164726819 720515270 /nfs/dbraw/zinc/51/52/70/720515270.db2.gz DZXAKSMJZWAYOE-CDXJDZJCSA-N 2 2 495.584 1.315 20 0 JDADLP CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164757700 721015677 /nfs/dbraw/zinc/01/56/77/721015677.db2.gz GFYRFKAGDOABOG-HJNYFJLDSA-N 2 2 450.587 1.871 20 0 JDADLP c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@@H+]3C2)c1 ZINC001164872081 721137808 /nfs/dbraw/zinc/13/78/08/721137808.db2.gz GKFAPKIOXXIAMH-RTWAWAEBSA-N 2 2 450.591 1.947 20 0 JDADLP c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(N5CCCC5)[nH+]c(N5CCCC5)n4)CC[N@H+]3C2)c1 ZINC001164872081 721137813 /nfs/dbraw/zinc/13/78/13/721137813.db2.gz GKFAPKIOXXIAMH-RTWAWAEBSA-N 2 2 450.591 1.947 20 0 JDADLP COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773550 721288323 /nfs/dbraw/zinc/28/83/23/721288323.db2.gz RPFWTRYBMYZBNK-GHTZIAJQSA-N 2 2 467.570 1.843 20 0 JDADLP COC(=O)[C@H]1C[C@H](Oc2nc3cc(OC)ccc3nc2N2CC3(C2)CC[N@@H+](CC2CC2)C3)C[NH2+]1 ZINC001164773550 721288331 /nfs/dbraw/zinc/28/83/31/721288331.db2.gz RPFWTRYBMYZBNK-GHTZIAJQSA-N 2 2 467.570 1.843 20 0 JDADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791297 721469861 /nfs/dbraw/zinc/46/98/61/721469861.db2.gz WRMRAWOVQKWNBX-NHCUHLMSSA-N 2 2 472.634 1.665 20 0 JDADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791297 721469863 /nfs/dbraw/zinc/46/98/63/721469863.db2.gz WRMRAWOVQKWNBX-NHCUHLMSSA-N 2 2 472.634 1.665 20 0 JDADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791299 721469939 /nfs/dbraw/zinc/46/99/39/721469939.db2.gz WRMRAWOVQKWNBX-SFTDATJTSA-N 2 2 472.634 1.665 20 0 JDADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CC2 ZINC001164791299 721469943 /nfs/dbraw/zinc/46/99/43/721469943.db2.gz WRMRAWOVQKWNBX-SFTDATJTSA-N 2 2 472.634 1.665 20 0 JDADLP O=S1(=O)Cc2cn(-c3ncccc3C[NH+]3CCCC3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001164793637 721475758 /nfs/dbraw/zinc/47/57/58/721475758.db2.gz WZIRVWXHYMIXHW-UXHICEINSA-N 2 2 454.600 1.158 20 0 JDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2CC[N@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164794093 721512737 /nfs/dbraw/zinc/51/27/37/721512737.db2.gz FKTRZJPQMABUNG-UHFFFAOYSA-N 2 2 458.614 1.999 20 0 JDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncnc4c2CC[N@@H+](Cc2ccccc2)C4)CC3)CC1 ZINC001164794093 721512740 /nfs/dbraw/zinc/51/27/40/721512740.db2.gz FKTRZJPQMABUNG-UHFFFAOYSA-N 2 2 458.614 1.999 20 0 JDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164802339 721573867 /nfs/dbraw/zinc/57/38/67/721573867.db2.gz ICHQCMUPNSGFOL-VSKRKVRLSA-N 2 2 451.575 1.180 20 0 JDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)[C@@H]2CCCO[C@H]12 ZINC001164802339 721573870 /nfs/dbraw/zinc/57/38/70/721573870.db2.gz ICHQCMUPNSGFOL-VSKRKVRLSA-N 2 2 451.575 1.180 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n1)CC[NH2+]CC2 ZINC001164901716 721583852 /nfs/dbraw/zinc/58/38/52/721583852.db2.gz ABUCHADIOCQYAE-JOCHJYFZSA-N 2 2 492.596 1.701 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n1)CC[NH2+]CC2 ZINC001164901716 721583857 /nfs/dbraw/zinc/58/38/57/721583857.db2.gz ABUCHADIOCQYAE-JOCHJYFZSA-N 2 2 492.596 1.701 20 0 JDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001165015549 721766012 /nfs/dbraw/zinc/76/60/12/721766012.db2.gz QXVVUZRTXKVVCB-UHFFFAOYSA-N 3 2 464.574 1.477 20 0 JDADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164914270 721800964 /nfs/dbraw/zinc/80/09/64/721800964.db2.gz LBLSYTOLEPEWOC-VWLOTQADSA-N 2 2 453.587 1.963 20 0 JDADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(OCC5CC[NH2+]CC5)cn4)CCO3)C2)c1 ZINC001164914270 721800966 /nfs/dbraw/zinc/80/09/66/721800966.db2.gz LBLSYTOLEPEWOC-VWLOTQADSA-N 2 2 453.587 1.963 20 0 JDADLP Cc1nc(CN2CCOC[C@]3(CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)CCO3)C2)cs1 ZINC001164920407 721829799 /nfs/dbraw/zinc/82/97/99/721829799.db2.gz CWTROEKGSUJRJM-HSZRJFAPSA-N 2 2 458.632 1.706 20 0 JDADLP COC(=O)[C@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC001165028588 721856415 /nfs/dbraw/zinc/85/64/15/721856415.db2.gz NRVOMFKUDSDOJI-WIYYLYMNSA-N 2 2 455.559 1.985 20 0 JDADLP CN1CC[NH+](Cc2cc3nc(N4CCC[C@H]([NH+](C)C)C4)nc(N4CCOCC4)c3s2)CC1 ZINC001165034337 721894855 /nfs/dbraw/zinc/89/48/55/721894855.db2.gz COCSSHISPVTSKH-SFHVURJKSA-N 2 2 459.664 1.806 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164984608 722131821 /nfs/dbraw/zinc/13/18/21/722131821.db2.gz XQVHHKXMUMBDEB-FGZHOGPDSA-N 2 2 466.586 1.988 20 0 JDADLP COC(=O)C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164984608 722131825 /nfs/dbraw/zinc/13/18/25/722131825.db2.gz XQVHHKXMUMBDEB-FGZHOGPDSA-N 2 2 466.586 1.988 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)n1)CC[NH2+]CC2 ZINC001164994550 722191426 /nfs/dbraw/zinc/19/14/26/722191426.db2.gz NUZCBWVYNKEDII-HSZRJFAPSA-N 2 2 459.591 1.952 20 0 JDADLP CS(=O)(=O)c1nc2c(c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)n1)CC[NH2+]CC2 ZINC001164994550 722191427 /nfs/dbraw/zinc/19/14/27/722191427.db2.gz NUZCBWVYNKEDII-HSZRJFAPSA-N 2 2 459.591 1.952 20 0 JDADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(N4CCOCC4)[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164993656 722193848 /nfs/dbraw/zinc/19/38/48/722193848.db2.gz GWRUOMKRNHGGGA-VWLOTQADSA-N 2 2 483.592 1.929 20 0 JDADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(N4CCOCC4)[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164993656 722193849 /nfs/dbraw/zinc/19/38/49/722193849.db2.gz GWRUOMKRNHGGGA-VWLOTQADSA-N 2 2 483.592 1.929 20 0 JDADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(N4CCOCC4)[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164993655 722193926 /nfs/dbraw/zinc/19/39/26/722193926.db2.gz GWRUOMKRNHGGGA-RUZDIDTESA-N 2 2 483.592 1.929 20 0 JDADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(N4CCOCC4)[nH+]c(N4CCOCC4)n2)C3)c1 ZINC001164993655 722193928 /nfs/dbraw/zinc/19/39/28/722193928.db2.gz GWRUOMKRNHGGGA-RUZDIDTESA-N 2 2 483.592 1.929 20 0 JDADLP